Na tej stronie znajduje się wykaz publikacji obecnych i byłych członków katedry. Najnowsze publikacje skatalogowano zgodnie z rokiem opublikowania.
415588
QLHX9TQJ
1
royal-society-of-chemistry-with-titles
50
date
desc
1
title
934
https://huckel.pl/wp-content/plugins/zotpress/
%7B%22status%22%3A%22success%22%2C%22updateneeded%22%3Afalse%2C%22instance%22%3Afalse%2C%22meta%22%3A%7B%22request_last%22%3A0%2C%22request_next%22%3A0%2C%22used_cache%22%3Atrue%7D%2C%22data%22%3A%5B%7B%22key%22%3A%22793VLCN7%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Bazyli%5Cu0144ska%20et%20al.%22%2C%22parsedDate%22%3A%222020-07-01%22%2C%22numChildren%22%3A2%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EU.%20Bazyli%5Cu0144ska%2C%20D.%20Wawrzy%5Cu0144czyk%2C%20A.%20Szewczyk%20and%20J.%20Kulbacka%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27http%3A%5C%2F%5C%2Fwww.sciencedirect.com%5C%2Fscience%5C%2Farticle%5C%2Fpii%5C%2FS0162013420301161%27%3EEngineering%20and%20biological%20assessment%20of%20double%20core%20nanoplatform%20for%20co-delivery%20of%20hybrid%20fluorophores%20to%20human%20melanoma%3C%5C%2Fa%3E%2C%20%3Ci%3EJournal%20of%20Inorganic%20Biochemistry%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E208%3C%5C%2Fb%3E%2C%20111088.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3D793VLCN7%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Engineering%20and%20biological%20assessment%20of%20double%20core%20nanoplatform%20for%20co-delivery%20of%20hybrid%20fluorophores%20to%20human%20melanoma%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Urszula%22%2C%22lastName%22%3A%22Bazyli%5Cu0144ska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Dominika%22%2C%22lastName%22%3A%22Wawrzy%5Cu0144czyk%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Anna%22%2C%22lastName%22%3A%22Szewczyk%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Julita%22%2C%22lastName%22%3A%22Kulbacka%22%7D%5D%2C%22abstractNote%22%3A%22We%20investigated%20new%20development%20in%20photodynamic%20therapy%20%28PDT%29%2C%20aiming%20at%20enhanced%20tumor%20selectivity%20and%20biocompatibility%2C%20which%20included%20application%20of%20a%20third-generation%20photosensitizing%20agent%2C%20i.e.%20xanthene-origin%20Rose%20Bengal%20%28RB%29%20co-encapsulated%20with%20up-converting%20NaYF4%20nanoparticles%20%28NPs%29%20co-doped%20with%20lanthanide%20ions%3A%20Er3%2B%20%282%25%29%20and%20Yb3%2B%20%2820%25%29.%20The%20hybrid%20fluorophores%20were%20applied%20as%20components%20of%20double%20core%20nanocarriers%20%28NCs%29%20obtained%20by%20double%20%28multiple%29%20emulsion%20solvent%20evaporation%20process.%20Next%2C%20to%20improve%20the%20biocompatibility%20and%20photodynamic%20activity%2C%20biodegradable%20polymer%3A%20poly%28lactide-co-glycolide%29%20%5Cu2013%20PLGA%20and%20non-ionic%20surfactants%20with%20different%20hydrophobicity%3A%20Span%2080%20and%20Cremophor%20A25%2C%20were%20used.%20After%20the%20engineering%20process%2C%20controlled%20by%20dynamic%20light%20scattering%20%28DLS%29%20measurements%2C%20%5Cu03b6-potential%20evaluation%2C%20transmission%20electron%20and%20atomic%20force%20microscopy%20%28TEM%20and%20AFM%29%20imaging%2C%20as%20well%20as%20optical%20analysis%20provided%20by%20measurements%20of%20the%20up-conversion%20emission%20spectra%20and%20luminescence%20kinetics%20for%20encapsulated%20only%20NaYF4%3AEr3%2B%2CYb3%2B%20NPs%20and%20co-encapsulated%20RB%5Cu202f%2B%5Cu202fNaYF4%3AEr3%2B%2CYb3%2B%20molecules%2C%20spherical%20polyester%20NCs%20with%20average%20size%20%3C200%5Cu202fnm%2C%20were%20tested%20on%20human%20melanoma%20%28Me-45%20and%20MeWo%29%20cells%20and%20a%20control%20human%20keratinocyte%20%28HaCaT%29%20cell%20line.%20The%20photodynamic%20action%20of%20the%20investigated%20NCs%20was%20assessed%20by%20oxidoreductive%20potential%20measurements%20with%203-%284%2C5-dimethylthiazol-2-yl%29-2%2C5-diphenyltetrazolium%20bromide%20%28MTT%29%20assay%2C%20that%20corresponds%20to%20percentage%20of%20the%20viable%20cells.%20Immunofluorescence%20and%20the%20NCs%20internalization%20studies%20were%20visualized%20by%20confocal%20laser%20scanning%20microscopy%20%28CLSM%20studies%29.%20Our%20results%20indicated%20effective%20photosensitizer%20delivery%20into%20the%20cancer%20cells%20and%20significant%20photodynamic%20efficiency%20enhanced%20by%20the%20near%20infrared%20%28NIR%29-activation%20of%20the%20encapsulated%20hybrid%20cargo%20in%20the%20skin%20melanoma%20cells.%22%2C%22date%22%3A%22July%201%2C%202020%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1016%5C%2Fj.jinorgbio.2020.111088%22%2C%22ISSN%22%3A%220162-0134%22%2C%22url%22%3A%22http%3A%5C%2F%5C%2Fwww.sciencedirect.com%5C%2Fscience%5C%2Farticle%5C%2Fpii%5C%2FS0162013420301161%22%2C%22collections%22%3A%5B%22QLHX9TQJ%22%5D%2C%22dateModified%22%3A%222020-06-07T11%3A10%3A55Z%22%7D%7D%2C%7B%22key%22%3A%22I2T7YUMJ%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Kulbacka%20et%20al.%22%2C%22parsedDate%22%3A%222020-06-01%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EJ.%20Kulbacka%2C%20A.%20Choroma%5Cu0144ska%2C%20M.%20Dr%5Cu0105g-Zalesi%5Cu0144ska%2C%20P.%20Nowak%2C%20D.%20Baczy%5Cu0144ska%2C%20M.%20Kotulska%2C%20I.%20Bednarz-Misa%2C%20J.%20Saczko%20and%20A.%20Chwi%5Cu0142kowska%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27http%3A%5C%2F%5C%2Fwww.sciencedirect.com%5C%2Fscience%5C%2Farticle%5C%2Fpii%5C%2FS1572100020301289%27%3EProapoptotic%20activity%20induced%20by%20photodynamic%20reaction%20with%20novel%20cyanine%20dyes%20in%20caspase-3-deficient%20human%20breast%20adenocarcinoma%20cell%20lines%20%28MCF%5C%2FWT%20and%20MCF%5C%2FDX%29%3C%5C%2Fa%3E%2C%20%3Ci%3EPhotodiagnosis%20and%20Photodynamic%20Therapy%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E30%3C%5C%2Fb%3E%2C%20101775.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DI2T7YUMJ%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Proapoptotic%20activity%20induced%20by%20photodynamic%20reaction%20with%20novel%20cyanine%20dyes%20in%20caspase-3-deficient%20human%20breast%20adenocarcinoma%20cell%20lines%20%28MCF%5C%2FWT%20and%20MCF%5C%2FDX%29%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Julita%22%2C%22lastName%22%3A%22Kulbacka%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Anna%22%2C%22lastName%22%3A%22Choroma%5Cu0144ska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Ma%5Cu0142gorzata%22%2C%22lastName%22%3A%22Dr%5Cu0105g-Zalesi%5Cu0144ska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Piotr%22%2C%22lastName%22%3A%22Nowak%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Dagmara%22%2C%22lastName%22%3A%22Baczy%5Cu0144ska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Ma%5Cu0142gorzata%22%2C%22lastName%22%3A%22Kotulska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Iwona%22%2C%22lastName%22%3A%22Bednarz-Misa%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Jolanta%22%2C%22lastName%22%3A%22Saczko%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Agnieszka%22%2C%22lastName%22%3A%22Chwi%5Cu0142kowska%22%7D%5D%2C%22abstractNote%22%3A%22Photodynamic%20therapy%20%28PDT%29%20is%20currently%20one%20of%20the%20cancer%20treatment%20options.%20PDT%20requires%20the%20application%20of%20a%20photosensitizer%20%28such%20as%3A%20porphyrins%2C%20chlorines%2C%20and%20phthalocyanines%29%20that%20selectively%20targets%20malignant%20cells.%20It%20is%20a%20dilemma%20to%20find%20a%20proper%20photosensitizer.%20In%20our%20study%2C%20we%20have%20tested%20a%20new%20in-vitro%20group%20of%20cyanine%20dyes.%20These%20dyes%20are%20widely%20applied%20in%20biotechnology%20as%20fluorescent%20markers.%20Two%20malignant%20adenocarcinoma%20cell%20lines%20%28MCF-7%5C%2FWT%20and%20MCF-7%5C%2FDOX%29%20were%20investigated%20using%20photodynamic%20reaction%20%28PDR%29%20with%20four%20cyanine%20dyes%20%28KF-570%2C%20HM-118%2C%20FBF-749%2C%20and%20ER-139%29.%20KF-570%20and%20HM-118%20were%20irradiated%20with%20red%20light%20%28630%5Cu202fnm%29%2C%20whereas%20FBF-749%20and%20ER-139%20with%20green%20light%20%28435%5Cu202fnm%29.%20To%20evaluate%20PDR%20efficiency%2C%20a%20clonogenic%20test%20was%20conducted.%20Apoptosis%20was%20investigated%20by%20TUNEL%20and%20NCA%20%28neutral%20comet%29%20assays.%20Proteins%20selected%20as%20indicators%20of%20the%20apoptotic%20pathway%20%28AIF%2C%20sPLA2%2C%20Smac%5C%2FDiablo%29%20and%20intracellular%20response%20markers%20%28SOD-1%20and%20GST-pi%29%20were%20detected%20using%20western%20blot.%20The%20highest%20number%20of%20apoptotic%20cells%20%28ca.%20100%25%29%20was%20observed%20after%20PDR%20with%20HM-118%20and%20KF-570%20in%20both%20conducted%20tests%2C%20in%20both%20cell%20lines.%20The%20results%20showed%20that%20HM-118%20and%20KF-570%20cyanine%20dyes%20demonstrated%20a%20major%20phototoxic%20effect%20causing%20apoptosis%20in%20doxorubicin-resistant%20and%20sensitive%20cell%20lines.%22%2C%22date%22%3A%22June%201%2C%202020%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1016%5C%2Fj.pdpdt.2020.101775%22%2C%22ISSN%22%3A%221572-1000%22%2C%22url%22%3A%22http%3A%5C%2F%5C%2Fwww.sciencedirect.com%5C%2Fscience%5C%2Farticle%5C%2Fpii%5C%2FS1572100020301289%22%2C%22collections%22%3A%5B%22QLHX9TQJ%22%5D%2C%22dateModified%22%3A%222020-05-29T11%3A12%3A13Z%22%7D%7D%2C%7B%22key%22%3A%224UBLMQX6%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Iwanejko%20et%20al.%22%2C%22parsedDate%22%3A%222020-04-08%22%2C%22numChildren%22%3A4%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EJ.%20Iwanejko%2C%20M.%20Sowi%5Cu0144ski%2C%20E.%20Wojaczy%5Cu0144ska%2C%20T.%20K.%20Olszewski%20and%20M.%20G%5Cu00f3recki%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fpubs.rsc.org%5C%2Fen%5C%2Fcontent%5C%2Farticlelanding%5C%2F2020%5C%2Fra%5C%2Fd0ra02646h%27%3EAn%20approach%20to%20new%20chiral%20bicyclic%20imines%20and%20amines%20via%20Horner%5Cu2013Wadsworth%5Cu2013Emmons%20reaction%3C%5C%2Fa%3E%2C%20%3Ci%3ERSC%20Adv.%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E10%3C%5C%2Fb%3E%2C%2014618%5Cu201314629.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3D4UBLMQX6%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22An%20approach%20to%20new%20chiral%20bicyclic%20imines%20and%20amines%20via%20Horner%5Cu2013Wadsworth%5Cu2013Emmons%20reaction%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Jakub%22%2C%22lastName%22%3A%22Iwanejko%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Mateusz%22%2C%22lastName%22%3A%22Sowi%5Cu0144ski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22El%5Cu017cbieta%22%2C%22lastName%22%3A%22Wojaczy%5Cu0144ska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Tomasz%20K.%22%2C%22lastName%22%3A%22Olszewski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Marcin%22%2C%22lastName%22%3A%22G%5Cu00f3recki%22%7D%5D%2C%22abstractNote%22%3A%22New%20chiral%20bicyclic%20imines%2C%20enamines%20and%20amines%20were%20prepared%20via%20Horner%5Cu2013Wadsworth%5Cu2013Emmons%20reaction%20of%20hexahydroquinoxalin-2%281H%29-one-derived%20phosphonate%2C%20as%20the%20source%20of%20a%20phosphonate%20carbanion%2C%20and%20a%20wide%20range%20of%20structurally%20diverse%20carbonyl%20substrates.%20The%20simplicity%20of%20the%20synthetic%20protocol%2C%20high%20selectivity%2C%20and%20broad%20substrate%20scope%20are%20the%20main%20advantages%20of%20the%20presented%20methodology.%22%2C%22date%22%3A%222020-04-08%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1039%5C%2FD0RA02646H%22%2C%22ISSN%22%3A%222046-2069%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fpubs.rsc.org%5C%2Fen%5C%2Fcontent%5C%2Farticlelanding%5C%2F2020%5C%2Fra%5C%2Fd0ra02646h%22%2C%22collections%22%3A%5B%22QLHX9TQJ%22%5D%2C%22dateModified%22%3A%222020-06-09T13%3A39%3A29Z%22%7D%7D%2C%7B%22key%22%3A%22Z8QCIINA%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22%5Cu0141upicka-S%5Cu0142owik%20et%20al.%22%2C%22parsedDate%22%3A%222020-04-08%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EA.%20%5Cu0141upicka-S%5Cu0142owik%2C%20M.%20Psurski%2C%20R.%20Grzywa%2C%20M.%20Cuprych%2C%20J.%20Ciekot%2C%20W.%20Goldeman%2C%20E.%20Wojaczy%5Cu0144ska%2C%20J.%20Wojaczy%5Cu0144ski%2C%20J.%20Oleksyszyn%20and%20M.%20Sie%5Cu0144czyk%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1007%5C%2Fs10637-020-00923-4%27%3EStructure-based%20design%2C%20synthesis%2C%20and%20evaluation%20of%20the%20biological%20activity%20of%20novel%20phosphoroorganic%20small%20molecule%20IAP%20antagonists%3C%5C%2Fa%3E%2C%20%3Ci%3EInvest%20New%20Drugs%3C%5C%2Fi%3E%2C%20%2C%20DOI%3A10.1007%5C%2Fs10637-020-00923-4.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DZ8QCIINA%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Structure-based%20design%2C%20synthesis%2C%20and%20evaluation%20of%20the%20biological%20activity%20of%20novel%20phosphoroorganic%20small%20molecule%20IAP%20antagonists%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Agnieszka%22%2C%22lastName%22%3A%22%5Cu0141upicka-S%5Cu0142owik%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Mateusz%22%2C%22lastName%22%3A%22Psurski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Renata%22%2C%22lastName%22%3A%22Grzywa%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Monika%22%2C%22lastName%22%3A%22Cuprych%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Jaros%5Cu0142aw%22%2C%22lastName%22%3A%22Ciekot%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Waldemar%22%2C%22lastName%22%3A%22Goldeman%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22El%5Cu017cbieta%22%2C%22lastName%22%3A%22Wojaczy%5Cu0144ska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Jacek%22%2C%22lastName%22%3A%22Wojaczy%5Cu0144ski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22J%5Cu00f3zef%22%2C%22lastName%22%3A%22Oleksyszyn%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Marcin%22%2C%22lastName%22%3A%22Sie%5Cu0144czyk%22%7D%5D%2C%22abstractNote%22%3A%22One%20of%20the%20strategies%20employed%20by%20novel%20anticancer%20therapies%20is%20to%20put%20the%20process%20of%20apoptosis%20back%20on%20track%20by%20blocking%20the%20interaction%20between%20inhibitor%20of%20apoptosis%20proteins%20%28IAPs%29%20and%20caspases.%20The%20activity%20of%20caspases%20is%20modulated%20by%20the%20caspases%20themselves%20in%20a%20caspase%5C%2Fprocaspase%20proteolytic%20cascade%20and%20by%20their%20interaction%20with%20IAPs.%20Caspases%20can%20be%20released%20from%20the%20inhibitory%20influence%20of%20IAPs%20by%20proapoptotic%20proteins%20such%20as%20secondary%20mitochondrial%20activator%20of%20caspases%20%28Smac%29%20that%20share%20an%20IAP%20binding%20motif%20%28IBM%29.%20The%20main%20purpose%20of%20the%20present%20study%20was%20the%20design%20and%20synthesis%20of%20phosphorus-based%20peptidyl%20antagonists%20of%20IAPs%20that%20mimic%20the%20endogenous%20Smac%20protein%2C%20which%20blocks%20the%20interaction%20between%20IAPs%20and%20caspases.%20Based%20on%20the%20structure%20of%20the%20IAP%20antagonist%20and%20recently%20reported%20thiadiazole%20derivatives%2C%20we%20designed%20and%20evaluated%20the%20biochemical%20properties%20of%20a%20series%20of%20phosphonic%20peptides%20bearing%20the%20N-Me-Ala-Val%5C%2FChg-Pro-OH%20motif%20%28Chg%3A%20cyclohexylglycine%29.%20The%20ability%20of%20the%20obtained%20compounds%20to%20interact%20with%20the%20binding%20groove%20of%20the%20X-linked%20inhibitor%20of%20apoptosis%20protein%20baculovirus%20inhibitor%20of%20apoptosis%20protein%20repeat%20%28XIAP%20BIR3%29%20domain%20was%20examined%20by%20a%20fluorescence%20polarization%20assay%2C%20while%20their%20potential%20to%20induce%20autoubiquitination%20followed%20by%20proteasomal%20degradation%20of%20cellular%20IAP1%20was%20examined%20using%20the%20MDA-MB-231%20breast%20cancer%20cell%20line.%20The%20highest%20potency%20against%20BIR3%20was%20observed%20among%20peptides%20containing%20C-terminal%20phosphonic%20phenylalanine%20analogs%2C%20which%20displayed%20nanomolar%20Ki%20values.%20Their%20antiproliferative%20potential%20as%20well%20as%20their%20proapoptotic%20action%2C%20manifested%20by%20an%20increase%20in%20caspase-3%20activity%2C%20was%20examined%20using%20various%20cell%20lines.%22%2C%22date%22%3A%222020-04-08%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1007%5C%2Fs10637-020-00923-4%22%2C%22ISSN%22%3A%221573-0646%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1007%5C%2Fs10637-020-00923-4%22%2C%22collections%22%3A%5B%22QLHX9TQJ%22%5D%2C%22dateModified%22%3A%222020-06-07T11%3A22%3A07Z%22%7D%7D%2C%7B%22key%22%3A%22MM7RNVDT%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Bihanic%20et%20al.%22%2C%22parsedDate%22%3A%222020-03-19%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EC.%20Bihanic%2C%20K.%20Richards%2C%20T.%20K.%20Olszewski%20and%20C.%20Grison%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fchemistry-europe.onlinelibrary.wiley.com%5C%2Fdoi%5C%2Ffull%5C%2F10.1002%5C%2Fcctc.201901845%27%3EEco-Mn%20Ecocatalysts%3A%20Toolbox%20for%20Sustainable%20and%20Green%20Lewis%20Acid%20Catalysis%20and%20Oxidation%20Reactions%3C%5C%2Fa%3E%2C%20%3Ci%3EChemCatChem%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E12%3C%5C%2Fb%3E%2C%201529%5Cu20131545.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DMM7RNVDT%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Eco-Mn%20Ecocatalysts%3A%20Toolbox%20for%20Sustainable%20and%20Green%20Lewis%20Acid%20Catalysis%20and%20Oxidation%20Reactions%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Camille%22%2C%22lastName%22%3A%22Bihanic%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Kenza%22%2C%22lastName%22%3A%22Richards%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Tomasz%20K.%22%2C%22lastName%22%3A%22Olszewski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Claude%22%2C%22lastName%22%3A%22Grison%22%7D%5D%2C%22abstractNote%22%3A%22Abstract%20Phytoextraction%20is%20one%20of%20the%20most%20promising%20phytotechnologies%20used%20to%20restore%20natural%20environments%20degraded%20by%20mining%20activities.%20In%20New%20Caledonia%2C%20a%20few%20plant%20species%2C%20which%20belong%20to%20the%20Grevillea%20genus%2C%20have%20the%20ability%20to%20extract%20Mn%20from%20soil%20and%20accumulate%20it%20in%20abundance%20%28over%201%3F%25%20of%20leaves%20dry%20weight%29.%20This%20review%20describes%20the%20use%20of%20Grevillea%20Mn-accumulating%20plant%20species%20to%20produce%20the%20first%20bio-sourced%20Mn%20catalysts%2C%20called%20Eco-Mn%20catalysts.%20Extensive%20structural%20studies%20of%20Eco-Mn%20catalysts%20have%20highlighted%20an%20original%20composition%20characteristic%20of%20their%20vegetal%20origin.%20Eco-Mn%20catalysts%20have%20demonstrated%20competitive%20catalytic%20activities%20compared%20to%20conventional%20Mn%20catalysts%20in%20Lewis%20acid%20catalysis%2C%20aminoreductions%2C%20alcohol%20oxidations%2C%20epoxidation%20reactions%2C%20oxidative%20cleavage%20of%201%2C2-diols%20and%20alkenes%20and%20%3FJanus%20catalysts%3F%20for%20sequential%20tandem%20oxidations%20such%20as%20tandem%20carbonyl-ene%20cyclisation%2C%20synthesis%20of%20substituted%20pyridines%20and%20oxidative%20iodination%20of%20ketones.%22%2C%22date%22%3A%22March%2019%2C%202020%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1002%5C%2Fcctc.201901845%22%2C%22ISSN%22%3A%221867-3880%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fchemistry-europe.onlinelibrary.wiley.com%5C%2Fdoi%5C%2Ffull%5C%2F10.1002%5C%2Fcctc.201901845%22%2C%22collections%22%3A%5B%22QLHX9TQJ%22%5D%2C%22dateModified%22%3A%222020-06-06T05%3A21%3A32Z%22%7D%7D%2C%7B%22key%22%3A%224JPJGVRH%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Tuan-Anh%20and%20Zale%5Cu015bny%22%2C%22parsedDate%22%3A%222020-03-17%22%2C%22numChildren%22%3A3%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3ET.%20Tuan-Anh%20and%20R.%20Zale%5Cu015bny%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facsomega.9b04339%27%3EPredictions%20of%20High-Order%20Electric%20Properties%20of%20Molecules%3A%20Can%20We%20Benefit%20from%20Machine%20Learning%3F%3C%5C%2Fa%3E%2C%20%3Ci%3EACS%20Omega%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E5%3C%5C%2Fb%3E%2C%205318%5Cu20135325.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3D4JPJGVRH%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Predictions%20of%20High-Order%20Electric%20Properties%20of%20Molecules%3A%20Can%20We%20Benefit%20from%20Machine%20Learning%3F%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Tran%22%2C%22lastName%22%3A%22Tuan-Anh%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Robert%22%2C%22lastName%22%3A%22Zale%5Cu015bny%22%7D%5D%2C%22abstractNote%22%3A%22There%20is%20an%20exigency%20of%20adopting%20machine%20learning%20techniques%20to%20screen%20and%20discover%20new%20materials%20which%20could%20address%20many%20societal%20and%20technological%20challenges.%20In%20this%20work%2C%20we%20follow%20this%20trend%20and%20employ%20machine%20learning%20to%20study%20%28high-order%29%20electric%20properties%20of%20organic%20compounds.%20The%20results%20of%20quantum-chemistry%20calculations%20of%20polarizability%20and%20first%20hyperpolarizability%2C%20obtained%20for%20more%20than%2050%2C000%20compounds%2C%20served%20as%20targets%20for%20machine%20learning-based%20predictions.%20The%20studied%20set%20of%20molecular%20structures%20encompasses%20organic%20push%5Cu2013pull%20molecules%20with%20variable%20linker%20lengths.%20Moreover%2C%20the%20diversified%20set%20of%20linkers%2C%20composed%20of%20alternating%20single%5C%2Fdouble%20and%20single%5C%2Ftriple%20carbon%5Cu2013carbon%20bonds%2C%20was%20considered.%20This%20study%20demonstrates%20that%20the%20applied%20machine%20learning%20strategy%20allows%20us%20to%20obtain%20the%20correlation%20coefficients%2C%20between%20predicted%20and%20reference%20values%20of%20%28hyper%29polarizabilities%2C%20exceeding%200.9%20on%20training%2C%20validation%2C%20and%20test%20set.%20However%2C%20in%20order%20to%20achieve%20such%20satisfactory%20predictive%20power%2C%20one%20needs%20to%20choose%20the%20training%20set%20appropriately%2C%20as%20the%20machine%20learning%20methods%20are%20very%20sensitive%20to%20the%20linker-type%20diversity%20in%20the%20training%20set%2C%20yielding%20catastrophic%20predictions%20in%20certain%20cases.%20Furthermore%2C%20the%20dependence%20of%20%28hyper%29polarizability%20on%20the%20length%20of%20spacers%20was%20studied%20in%20detail%2C%20allowing%20for%20explanation%20of%20the%20appreciably%20high%20accuracy%20of%20employed%20approaches.%22%2C%22date%22%3A%222020-03-17%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1021%5C%2Facsomega.9b04339%22%2C%22ISSN%22%3A%222470-1343%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facsomega.9b04339%22%2C%22collections%22%3A%5B%22QLHX9TQJ%22%2C%22CL9JDA29%22%2C%22EWMA97QD%22%2C%22XC9PPQHC%22%5D%2C%22dateModified%22%3A%222020-06-30T16%3A38%3A44Z%22%7D%7D%2C%7B%22key%22%3A%22R2DP4CHX%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Olszewski%20et%20al.%22%2C%22parsedDate%22%3A%222020-02-21%22%2C%22numChildren%22%3A0%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3ET.%20K.%20Olszewski%2C%20M.%20Bieniek%20and%20K.%20Skowerski%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facs.oprd.9b00483%27%3ERuthenium-Based%20Complexes%20Bearing%20Quaternary%20Ammonium%20Tags%20as%20Versatile%20Catalysts%20for%20Olefin%20Metathesis%3A%20From%20the%20Discovery%20to%20Practical%20Applications%3C%5C%2Fa%3E%2C%20%3Ci%3EOrg.%20Process%20Res.%20Dev.%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E24%3C%5C%2Fb%3E%2C%20125%5Cu2013145.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DR2DP4CHX%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Ruthenium-Based%20Complexes%20Bearing%20Quaternary%20Ammonium%20Tags%20as%20Versatile%20Catalysts%20for%20Olefin%20Metathesis%3A%20From%20the%20Discovery%20to%20Practical%20Applications%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Tomasz%20K.%22%2C%22lastName%22%3A%22Olszewski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Micha%5Cu0142%22%2C%22lastName%22%3A%22Bieniek%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Krzysztof%22%2C%22lastName%22%3A%22Skowerski%22%7D%5D%2C%22abstractNote%22%3A%22This%20personal%20account%20describes%20the%20development%20and%20fine-tuning%20of%20pH-neutral%20quaternary-ammonium-tagged%20ruthenium-based%20complexes%2C%20their%20use%20as%20versatile%20catalysts%20for%20olefin%20metathesis%2C%20and%20the%20application%20of%20that%20transformation%20in%20the%20synthesis%20of%20complex%20molecules.%22%2C%22date%22%3A%222020-02-21%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1021%5C%2Facs.oprd.9b00483%22%2C%22ISSN%22%3A%221083-6160%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facs.oprd.9b00483%22%2C%22collections%22%3A%5B%22QLHX9TQJ%22%5D%2C%22dateModified%22%3A%222020-06-30T16%3A38%3A55Z%22%7D%7D%2C%7B%22key%22%3A%22M5XAUKH5%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Avramopoulos%20et%20al.%22%2C%22parsedDate%22%3A%222020-02-20%22%2C%22numChildren%22%3A0%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EA.%20Avramopoulos%2C%20R.%20Zale%5Cu015bny%2C%20H.%20Reis%20and%20M.%20G.%20Papadopoulos%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facs.jpcc.9b10563%27%3EA%20Computational%20Strategy%20for%20the%20Design%20of%20Photochromic%20Derivatives%20Based%20on%20Diarylethene%20and%20Nickel%20Dithiolene%20with%20Large%20Contrast%20in%20Nonlinear%20Optical%20Properties%3C%5C%2Fa%3E%2C%20%3Ci%3EJ.%20Phys.%20Chem.%20C%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E124%3C%5C%2Fb%3E%2C%204221%5Cu20134241.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DM5XAUKH5%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22A%20Computational%20Strategy%20for%20the%20Design%20of%20Photochromic%20Derivatives%20Based%20on%20Diarylethene%20and%20Nickel%20Dithiolene%20with%20Large%20Contrast%20in%20Nonlinear%20Optical%20Properties%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Aggelos%22%2C%22lastName%22%3A%22Avramopoulos%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Robert%22%2C%22lastName%22%3A%22Zale%5Cu015bny%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Heribert%22%2C%22lastName%22%3A%22Reis%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Manthos%20G.%22%2C%22lastName%22%3A%22Papadopoulos%22%7D%5D%2C%22abstractNote%22%3A%22We%20designed%20a%20series%20of%20photochromic%20derivatives%20by%20employing%20density%20functional%20method%20%28CAM-B3LYP%5C%2F6-31G%2A%29.%20These%20compounds%20are%20based%20on%20DAE%20%28diarylethenes%29%2C%20both%20sides%20of%20which%20are%20bonded%20with%20benzene%20and%20NiBDT%20%28bis%28ethylene-1%2C2-dithiolato%29Ni%29.%20These%20substituents%20and%2C%20in%20particular%2C%20the%20NiBDT%20moiety%20are%20known%20to%20exhibit%20very%20large%20second%20hyperpolarizability.%20The%20objective%20of%20this%20work%20was%20to%20develop%2C%20by%20employing%20a%20DFT%20methodology%2C%20a%20set%20of%20rules%20for%20designing%20photochromic%20materials%20presenting%20the%20following%3A%20%28i%29%20a%20large%20contrast%20between%20a%20series%20of%20physical%20properties%5Cu2014the%20hyperpolarizabilities%20%28first%20and%20second%29%2C%20the%20IR%20absorption%20and%20the%20two-photon%20absorption%20%28TPA%29%20strength%5Cu2014of%20the%20%5Cu201copen%5Cu201d%20and%20the%20%5Cu201cclosed%5Cu201d%20isomers%20and%20%28ii%29%20extremely%20large%20nonlinear%20optical%20properties.%20This%20large%20contrast%20may%20be%20attained%20by%20a%20light-induced%20transformation%20of%20the%20%5Cu201copen%5Cu201d%20to%20the%20%5Cu201cclosed%5Cu201d%20isomer%2C%20combined%20with%20substituents%20involving%20an%20extensive%20%5Cu03c0-electron%20network%20and%5C%2For%20strong%20donor%5C%2Facceptor%20pairs.%22%2C%22date%22%3A%222020-02-20%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1021%5C%2Facs.jpcc.9b10563%22%2C%22ISSN%22%3A%221932-7447%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facs.jpcc.9b10563%22%2C%22collections%22%3A%5B%22QLHX9TQJ%22%2C%22EWMA97QD%22%5D%2C%22dateModified%22%3A%222020-06-30T16%3A39%3A08Z%22%7D%7D%2C%7B%22key%22%3A%22X764TRWV%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Ordon%20et%20al.%22%2C%22parsedDate%22%3A%222020-02-13%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EP.%20Ordon%2C%20L.%20Komorowski%2C%20M.%20J%5Cu0119drzejewski%20and%20J.%20Zaklika%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facs.jpca.9b10145%27%3EThe%20Connectivity%20Matrix%3A%20A%20Toolbox%20for%20Monitoring%20Bonded%20Atoms%20and%20Bonds%3C%5C%2Fa%3E%2C%20%3Ci%3EJ.%20Phys.%20Chem.%20A%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E124%3C%5C%2Fb%3E%2C%201076%5Cu20131086.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DX764TRWV%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22The%20Connectivity%20Matrix%3A%20A%20Toolbox%20for%20Monitoring%20Bonded%20Atoms%20and%20Bonds%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Piotr%22%2C%22lastName%22%3A%22Ordon%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Ludwik%22%2C%22lastName%22%3A%22Komorowski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Mateusz%22%2C%22lastName%22%3A%22J%5Cu0119drzejewski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Jaros%5Cu0142aw%22%2C%22lastName%22%3A%22Zaklika%22%7D%5D%2C%22abstractNote%22%3A%22The%20concept%20of%20a%20connectivity%20matrix%2C%20essential%20for%20the%20reaction%20fragility%20%28RF%29%20spectra%20technique%20for%20monitoring%20electron%20density%20evolution%20in%20a%20chemical%20reaction%2C%20has%20been%20supported%20with%20a%20novel%20formulation%20for%20the%20diagonal%20matrix%20elements%3B%20their%20direct%20link%20to%20the%20electron%20density%20function%20%5Cu03c1%28r%29%20has%20been%20demonstrated.%20By%20combining%20the%20concept%20with%20the%20atomization%20energy%20of%20a%20system%2C%20the%20separation%20of%20the%20potential%20energy%20into%20atomic%20and%5C%2For%20bond%20contributions%20has%20been%20achieved.%20The%20energy%20derivative%20diagrams%20for%20atoms%20and%20bonds%20that%20are%20variable%20along%20a%20reaction%20path%20provide%20new%20insight%20into%20the%20reaction%20mechanism.%20Diagonalization%20of%20the%20connectivity%20matrix%20resulted%20in%20the%20eigenvectors%20that%20provide%20information%20on%20a%20role%20of%20individual%20atoms%20in%20the%20development%20of%20structural%20changes%20along%20a%20reaction%20path.%22%2C%22date%22%3A%222020-02-13%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1021%5C%2Facs.jpca.9b10145%22%2C%22ISSN%22%3A%221089-5639%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facs.jpca.9b10145%22%2C%22collections%22%3A%5B%22QLHX9TQJ%22%2C%22QKBMCJZP%22%5D%2C%22dateModified%22%3A%222020-06-06T19%3A06%3A14Z%22%7D%7D%2C%7B%22key%22%3A%22AZVEJNSC%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Ordon%20et%20al.%22%2C%22parsedDate%22%3A%222020-01-16%22%2C%22numChildren%22%3A2%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EP.%20Ordon%2C%20J.%20Zaklika%2C%20M.%20J%5Cu0119drzejewski%20and%20L.%20Komorowski%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facs.jpca.9b09426%27%3EBond%20Softening%20Indices%20Studied%20by%20the%20Fragility%20Spectra%20for%20Proton%20Migration%20in%20Formamide%20and%20Related%20Structures%3C%5C%2Fa%3E%2C%20%3Ci%3EJ.%20Phys.%20Chem.%20A%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E124%3C%5C%2Fb%3E%2C%20328%5Cu2013338.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DAZVEJNSC%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Bond%20Softening%20Indices%20Studied%20by%20the%20Fragility%20Spectra%20for%20Proton%20Migration%20in%20Formamide%20and%20Related%20Structures%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Piotr%22%2C%22lastName%22%3A%22Ordon%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Jaros%5Cu0142aw%22%2C%22lastName%22%3A%22Zaklika%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Mateusz%22%2C%22lastName%22%3A%22J%5Cu0119drzejewski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Ludwik%22%2C%22lastName%22%3A%22Komorowski%22%7D%5D%2C%22abstractNote%22%3A%22Computational%20scheme%20to%20obtain%20bond%20softening%20index%20%5Cu03bb%2C%20defined%20within%20the%20conceptual%20DFT%2C%20has%20been%20obtained%20with%20the%20use%20of%20the%20reaction%20fragility%20%28RF%29%20concept.%20Numerical%20results%20were%20obtained%20with%20the%20RF%20spectra%20for%20the%20proton%20transfer%20reaction%20in%20formamide%20molecule%20%28H2NCHO%29%20and%20the%20water%20assisted%20proton%20migration%20in%20H2NCHO%5Cu00b7H2O%20complex.%20Double%20proton%20transfer%20reaction%20in%20the%20formamide%20dimer%2C%20%28H2NCHO%292%2C%20and%20its%20analogues%2C%20%28H2NCHS%292%20and%20%28H2NCHO%29%5Cu00b7%28H2NCHS%29%2C%20have%20also%20been%20studied.%20The%20atomic%20and%20bond%20RF%20spectra%20clearly%20describe%20the%20density%20reorganization%20in%20the%20backbone%20of%20each%20molecule%2C%20resulting%20from%20proton%20displacement%20in%20the%20systems.%20The%20obtained%20softening%20indices%20have%20been%20calculated%20for%20hydrogen%20atoms%20in%20the%20reactant%20state%20%28RS%29%20and%20product%20state%20%28PS%29%20configuration.%20These%20indices%20provide%20fine%20characteristics%20for%20the%20local%20sensitivity%20of%20the%20reacting%20system%20to%20a%20disturbance%20of%20the%20position%20of%20a%20chosen%20atom.%22%2C%22date%22%3A%222020-01-16%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1021%5C%2Facs.jpca.9b09426%22%2C%22ISSN%22%3A%221089-5639%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facs.jpca.9b09426%22%2C%22collections%22%3A%5B%22QLHX9TQJ%22%2C%22QKBMCJZP%22%5D%2C%22dateModified%22%3A%222020-06-06T19%3A06%3A08Z%22%7D%7D%2C%7B%22key%22%3A%22VQKF76WJ%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Samadaei%20et%20al.%22%2C%22parsedDate%22%3A%222020-01%22%2C%22numChildren%22%3A2%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EM.%20Samadaei%2C%20M.%20Pinter%2C%20D.%20Senfter%2C%20S.%20Madlener%2C%20N.%20Rohr-Udilova%2C%20D.%20Iwan%2C%20K.%20Kami%5Cu0144ska%2C%20E.%20Wojaczy%5Cu0144ska%2C%20J.%20Wojaczy%5Cu0144ski%20and%20A.%20Kochel%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fwww.mdpi.com%5C%2F1420-3049%5C%2F25%5C%2F10%5C%2F2355%27%3ESynthesis%20and%20Cytotoxic%20Activity%20of%20Chiral%20Sulfonamides%20Based%20on%20the%202-Azabicycloalkane%20Skeleton%3C%5C%2Fa%3E%2C%20%3Ci%3EMolecules%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E25%3C%5C%2Fb%3E%2C%202355.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DVQKF76WJ%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Synthesis%20and%20Cytotoxic%20Activity%20of%20Chiral%20Sulfonamides%20Based%20on%20the%202-Azabicycloalkane%20Skeleton%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Mahzeiar%22%2C%22lastName%22%3A%22Samadaei%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Matthias%22%2C%22lastName%22%3A%22Pinter%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Daniel%22%2C%22lastName%22%3A%22Senfter%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Sibylle%22%2C%22lastName%22%3A%22Madlener%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Nataliya%22%2C%22lastName%22%3A%22Rohr-Udilova%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Dominika%22%2C%22lastName%22%3A%22Iwan%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Karolina%22%2C%22lastName%22%3A%22Kami%5Cu0144ska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22El%5Cu017cbieta%22%2C%22lastName%22%3A%22Wojaczy%5Cu0144ska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Jacek%22%2C%22lastName%22%3A%22Wojaczy%5Cu0144ski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Andrzej%22%2C%22lastName%22%3A%22Kochel%22%7D%5D%2C%22abstractNote%22%3A%22A%20series%20of%20chiral%20sulfonamides%20containing%20the%202-azabicycloalkane%20scaffold%20were%20prepared%20from%20aza-Diels%26ndash%3BAlder%20cycloadducts%20through%20their%20conversion%20to%20amines%20based%20on%202-azanorbornane%20or%20the%20bridged%20azepane%20skeleton%2C%20followed%20by%20the%20reaction%20with%20sulfonyl%20chlorides.%20The%20cytotoxic%20activity%20of%20the%20obtained%20bicyclic%20derivatives%20was%20evaluated%20using%20human%20hepatocellular%20carcinoma%20%28HCC%29%2C%20medulloblastoma%20%28MB%29%2C%20and%20glioblastoma%20%28GBM%29%20cell%20lines.%20Chosen%20compounds%20were%20shown%20to%20notably%20reduce%20cell%20viability%20as%20compared%20to%20nonmalignant%20cells.%22%2C%22date%22%3A%222020%5C%2F1%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.3390%5C%2Fmolecules25102355%22%2C%22ISSN%22%3A%22%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fwww.mdpi.com%5C%2F1420-3049%5C%2F25%5C%2F10%5C%2F2355%22%2C%22collections%22%3A%5B%22QLHX9TQJ%22%5D%2C%22dateModified%22%3A%222020-06-07T11%3A22%3A06Z%22%7D%7D%2C%7B%22key%22%3A%22DANB3K3E%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Iwanejko%20et%20al.%22%2C%22parsedDate%22%3A%222020-01%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EJ.%20Iwanejko%2C%20E.%20Wojaczy%5Cu0144ska%2C%20E.%20Turlej%2C%20M.%20Maciejewska%20and%20J.%20Wietrzyk%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fwww.mdpi.com%5C%2F1996-1944%5C%2F13%5C%2F10%5C%2F2393%27%3EOctahydroquinoxalin-2%281H%29-One-Based%20Aminophosphonic%20Acids%20and%20Their%20Derivatives%5Cu2014Biological%20Activity%20towards%20Cancer%20Cells%3C%5C%2Fa%3E%2C%20%3Ci%3EMaterials%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E13%3C%5C%2Fb%3E%2C%202393.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DDANB3K3E%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Octahydroquinoxalin-2%281H%29-One-Based%20Aminophosphonic%20Acids%20and%20Their%20Derivatives%5Cu2014Biological%20Activity%20towards%20Cancer%20Cells%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Jakub%22%2C%22lastName%22%3A%22Iwanejko%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22El%5Cu017cbieta%22%2C%22lastName%22%3A%22Wojaczy%5Cu0144ska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Eliza%22%2C%22lastName%22%3A%22Turlej%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Magdalena%22%2C%22lastName%22%3A%22Maciejewska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Joanna%22%2C%22lastName%22%3A%22Wietrzyk%22%7D%5D%2C%22abstractNote%22%3A%22In%20the%20search%20for%20new%20antitumor%20agents%2C%20aminophosphonic%20acids%20and%20their%20derivatives%20based%20on%20octahydroquinoxalin-2%281H%29-one%20scaffold%20were%20obtained%20and%20their%20cytotoxic%20properties%20and%20a%20mechanism%20of%20action%20were%20evaluated.%20Phosphonic%20acid%20and%20phosphonate%20moieties%20increased%20the%20antiproliferative%20activity%20in%20comparison%20to%20phenolic%20Mannich%20bases%20previously%20reported.%20Most%20of%20the%20obtained%20compounds%20revealed%20a%20strong%20antiproliferative%20effect%20against%20leukemia%20cell%20line%20%28MV-4-11%29%20with%20simultaneous%20low%20cytotoxicity%20against%20normal%20cell%20line%20%28mouse%20fibroblasts-BALB%5C%2F3T3%29.%20The%20most%20active%20compound%20was%20diphenyl-%5B%281R%2C6R%29-3-oxo-2%2C5-diazabicyclo%5B4.4.0%5Ddec-4-yl%5Dphosphonate.%20Preliminary%20evaluation%20of%20the%20mechanism%20of%20action%20showed%20the%20proapoptotic%20effect%20associated%20with%20caspase%203%5C%2F7%20induction.%22%2C%22date%22%3A%222020%5C%2F1%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.3390%5C%2Fma13102393%22%2C%22ISSN%22%3A%22%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fwww.mdpi.com%5C%2F1996-1944%5C%2F13%5C%2F10%5C%2F2393%22%2C%22collections%22%3A%5B%22QLHX9TQJ%22%5D%2C%22dateModified%22%3A%222020-05-29T11%3A09%3A07Z%22%7D%7D%2C%7B%22key%22%3A%22LFN6ARYI%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Lim%20et%20al.%22%2C%22parsedDate%22%3A%222020%22%2C%22numChildren%22%3A2%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EC.-K.%20Lim%2C%20M.%20Maldonado%2C%20R.%20Zalesny%2C%20R.%20Valiev%2C%20H.%20%5Cu00c5gren%2C%20A.%20S.%20L.%20Gomes%2C%20J.%20Jiang%2C%20R.%20Pachter%20and%20P.%20N.%20Prasad%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fonlinelibrary.wiley.com%5C%2Fdoi%5C%2Fabs%5C%2F10.1002%5C%2Fadfm.201909375%27%3EInterlayer-Sensitized%20Linear%20and%20Nonlinear%20Photoluminescence%20of%20Quasi-2D%20Hybrid%20Perovskites%20Using%20Aggregation-Induced%20Enhanced%20Emission%20Active%20Organic%20Cation%20Layers%3C%5C%2Fa%3E%2C%20%3Ci%3EAdvanced%20Functional%20Materials%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E30%3C%5C%2Fb%3E%2C%201909375.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DLFN6ARYI%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Interlayer-Sensitized%20Linear%20and%20Nonlinear%20Photoluminescence%20of%20Quasi-2D%20Hybrid%20Perovskites%20Using%20Aggregation-Induced%20Enhanced%20Emission%20Active%20Organic%20Cation%20Layers%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Chang-Keun%22%2C%22lastName%22%3A%22Lim%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Melissa%22%2C%22lastName%22%3A%22Maldonado%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Robert%22%2C%22lastName%22%3A%22Zalesny%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Rashid%22%2C%22lastName%22%3A%22Valiev%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Hans%22%2C%22lastName%22%3A%22%5Cu00c5gren%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Anderson%20S.%20L.%22%2C%22lastName%22%3A%22Gomes%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Jie%22%2C%22lastName%22%3A%22Jiang%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Ruth%22%2C%22lastName%22%3A%22Pachter%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Paras%20N.%22%2C%22lastName%22%3A%22Prasad%22%7D%5D%2C%22abstractNote%22%3A%22A%20concept%20of%20interlayer-sensitized%20photoluminescence%20%28PL%29%20of%20quasi-2D%20hybrid%20perovskite%20%28PVK%29%20with%20a%20%5Cu03c0-conjugated%20optically%20interacting%20organic%20cation%20layer%20is%20introduced%20and%20demonstrated.%20A%20rod-shaped%20aggregation-induced%20enhanced%20emission%20%28AIEE%29%20organic%20cation%20%28BPCSA%2B%29%2C%20well%20fitted%20into%20the%20lattice%20size%20of%202D%20PVK%20layers%2C%20is%20designed%20and%20synthesized%20to%20prolong%20the%20exciton%20lifetime%20in%20a%20condensed%20layer%20assembly%20in%20the%20PVK.%20The%20BPCSA%2B%20promotes%20the%20PL%20of%20this%20hybrid%20PVK%20up%20to%2010-folds%20from%20that%20of%20a%20non-%5Cu03c0-conjugated%20organic%20cation%20%28OA%29%202D%20PVK.%20Notably%2C%20different%20from%20PL%20of%20OA%202D%20PVK%2C%20the%20increased%20PL%20intensity%20of%20BPCSA%202D%20PVKs%20with%20an%20increase%20of%20the%20BPCSA%20ratio%20in%20the%20PVK%20indicates%20a%20critical%20photon-harvesting%20contribution%20of%20BPCSA.%20The%20films%20of%20BPCSA%202D%20PVKs%20are%20incredibly%20stable%20in%20ambient%20environments%20for%20more%20than%204%20months%20and%20even%20upon%20direct%20contact%20with%20water.%20Additionally%2C%20due%20to%20the%20strong%20two-photon%20absorption%20property%20of%20BPCSA%2C%20the%20BPCSA%202D%20PVK%20displays%20superior%20emission%20properties%20upon%20two-photon%20excitation%20with%20a%20short%20wavelength%20IR%20laser.%20Thus%2C%20the%20AIEE%20sensitization%20system%20for%20quasi-2D%20PVK%20hybrid%20system%20can%20make%20a%20drastic%20improvement%20in%20performance%20as%20well%20as%20in%20the%20stability%20of%20the%20PVK%20emitter%20and%20PVK%20based%20nonlinear%20optical%20devices.%22%2C%22date%22%3A%222020%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1002%5C%2Fadfm.201909375%22%2C%22ISSN%22%3A%221616-3028%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fonlinelibrary.wiley.com%5C%2Fdoi%5C%2Fabs%5C%2F10.1002%5C%2Fadfm.201909375%22%2C%22collections%22%3A%5B%22QLHX9TQJ%22%2C%22EWMA97QD%22%2C%22XC9PPQHC%22%5D%2C%22dateModified%22%3A%222020-06-30T16%3A46%3A29Z%22%7D%7D%2C%7B%22key%22%3A%22MVHI89EQ%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Moshkina%20et%20al.%22%2C%22parsedDate%22%3A%222020%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3ET.%20N.%20Moshkina%2C%20E.%20V.%20Nosova%2C%20A.%20E.%20Kopotilova%2C%20G.%20N.%20Lipunova%2C%20M.%20S.%20Valova%2C%20L.%20K.%20Sadieva%2C%20D.%20S.%20Kopchuk%2C%20P.%20A.%20Slepukhin%2C%20R.%20Zale%5Cu015bny%2C%20B.%20O%5Cu015bmia%5Cu0142owski%20and%20V.%20N.%20Charushin%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fonlinelibrary.wiley.com%5C%2Fdoi%5C%2Fabs%5C%2F10.1002%5C%2Fajoc.202000038%27%3ESynthesis%20and%20Photophysical%20Studies%20of%20Novel%20V-Shaped%202%2C3-Bis5-aryl-2-thienyl%28dibenzo%5Bf%2Ch%5D%29quinoxalines%3C%5C%2Fa%3E%2C%20%3Ci%3EAsian%20Journal%20of%20Organic%20Chemistry%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E9%3C%5C%2Fb%3E%2C%20673%5Cu2013681.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DMVHI89EQ%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Synthesis%20and%20Photophysical%20Studies%20of%20Novel%20V-Shaped%202%2C3-Bis5-aryl-2-thienyl%28dibenzo%5Bf%2Ch%5D%29quinoxalines%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Tatyana%20N.%22%2C%22lastName%22%3A%22Moshkina%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Emiliya%20V.%22%2C%22lastName%22%3A%22Nosova%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Alexandra%20E.%22%2C%22lastName%22%3A%22Kopotilova%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Galina%20N.%22%2C%22lastName%22%3A%22Lipunova%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Marina%20S.%22%2C%22lastName%22%3A%22Valova%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Leila%20K.%22%2C%22lastName%22%3A%22Sadieva%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Dmitry%20S.%22%2C%22lastName%22%3A%22Kopchuk%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Pavel%20A.%22%2C%22lastName%22%3A%22Slepukhin%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Robert%22%2C%22lastName%22%3A%22Zale%5Cu015bny%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Borys%22%2C%22lastName%22%3A%22O%5Cu015bmia%5Cu0142owski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Valery%20N.%22%2C%22lastName%22%3A%22Charushin%22%7D%5D%2C%22abstractNote%22%3A%22A%20series%20of%20novel%20V-shaped%20luminophores%20containing%20electron-withdrawing%20dibenzo%5Bf%2Ch%5Dquinoxaline%20core%20and%20arylthienyl%20donor%20fragments%20at%20positions%202%20and%203%20has%20been%20synthesized.%20The%20absorption%20spectra%20%28UV%5C%2Fvis%29%20were%20recorded%20in%20several%20solvents%2C%20whereas%20emission%20spectra%20were%20recorded%20in%20solutions%20and%20powders.%20The%20solvatochromism%20as%20well%20as%20halochromism%20of%20obtained%20compounds%20was%20also%20explored.%20Electronic-structure%20calculations%20using%20quantum-chemistry%20methods%20were%20performed%20to%20further%20analyse%20experimental%20results.%20All%20characteristics%20were%20compared%20with%20that%20of%202%2C3-bis%28arylthienyl%29quinoxaline%20counterparts.%20The%20halochromic%20effect%20studies%20showed%20that%20upon%20gradual%20addition%20of%20trifluoroacetic%20acid%20%28TFA%29%20to%20the%20toluene%20solution%20of%20diethylaminophenyl-substituted%20dibenzo%5Bf%2Ch%5Dquinoxaline%20chromophore%2C%20absorption%20and%20emission%20changed.%20Observed%20band%20shifts%20were%20more%20distinct%20in%20the%20case%20of%20mentioned%20quinoxaline%20than%20for%20other%20derivatives.%20All%20of%20the%20%28dibenzo%5Bf%2Ch%5D%29quinoxaline%20chromophores%20exhibited%20good%20sensitivity%20toward%20nitro-containing%20explosives%20with%20high%20Stern-Volmer%20constants%20up%20to%2057800%20M%5Cu22121%2C%20these%20results%20are%20remarkable%20for%20such%20heterocyclic%20systems.%22%2C%22date%22%3A%222020%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1002%5C%2Fajoc.202000038%22%2C%22ISSN%22%3A%222193-5815%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fonlinelibrary.wiley.com%5C%2Fdoi%5C%2Fabs%5C%2F10.1002%5C%2Fajoc.202000038%22%2C%22collections%22%3A%5B%22QLHX9TQJ%22%2C%22EWMA97QD%22%5D%2C%22dateModified%22%3A%222020-06-30T16%3A39%3A01Z%22%7D%7D%5D%7D
1
U. Bazylińska, D. Wawrzyńczyk, A. Szewczyk and J. Kulbacka, Engineering and biological assessment of double core nanoplatform for co-delivery of hybrid fluorophores to human melanoma, Journal of Inorganic Biochemistry, 2020, 208, 111088. Cite
1
J. Kulbacka, A. Choromańska, M. Drąg-Zalesińska, P. Nowak, D. Baczyńska, M. Kotulska, I. Bednarz-Misa, J. Saczko and A. Chwiłkowska, Proapoptotic activity induced by photodynamic reaction with novel cyanine dyes in caspase-3-deficient human breast adenocarcinoma cell lines (MCF/WT and MCF/DX), Photodiagnosis and Photodynamic Therapy, 2020, 30, 101775. Cite
1
J. Iwanejko, M. Sowiński, E. Wojaczyńska, T. K. Olszewski and M. Górecki, An approach to new chiral bicyclic imines and amines via Horner–Wadsworth–Emmons reaction, RSC Adv., 2020, 10, 14618–14629. Cite
1
A. Łupicka-Słowik, M. Psurski, R. Grzywa, M. Cuprych, J. Ciekot, W. Goldeman, E. Wojaczyńska, J. Wojaczyński, J. Oleksyszyn and M. Sieńczyk, Structure-based design, synthesis, and evaluation of the biological activity of novel phosphoroorganic small molecule IAP antagonists, Invest New Drugs, , DOI:10.1007/s10637-020-00923-4. Cite
1
C. Bihanic, K. Richards, T. K. Olszewski and C. Grison, Eco-Mn Ecocatalysts: Toolbox for Sustainable and Green Lewis Acid Catalysis and Oxidation Reactions, ChemCatChem, 2020, 12, 1529–1545. Cite
1
T. Tuan-Anh and R. Zaleśny, Predictions of High-Order Electric Properties of Molecules: Can We Benefit from Machine Learning?, ACS Omega, 2020, 5, 5318–5325. Cite
1
T. K. Olszewski, M. Bieniek and K. Skowerski, Ruthenium-Based Complexes Bearing Quaternary Ammonium Tags as Versatile Catalysts for Olefin Metathesis: From the Discovery to Practical Applications, Org. Process Res. Dev., 2020, 24, 125–145. Cite
1
A. Avramopoulos, R. Zaleśny, H. Reis and M. G. Papadopoulos, A Computational Strategy for the Design of Photochromic Derivatives Based on Diarylethene and Nickel Dithiolene with Large Contrast in Nonlinear Optical Properties, J. Phys. Chem. C, 2020, 124, 4221–4241. Cite
1
P. Ordon, L. Komorowski, M. Jędrzejewski and J. Zaklika, The Connectivity Matrix: A Toolbox for Monitoring Bonded Atoms and Bonds, J. Phys. Chem. A, 2020, 124, 1076–1086. Cite
1
P. Ordon, J. Zaklika, M. Jędrzejewski and L. Komorowski, Bond Softening Indices Studied by the Fragility Spectra for Proton Migration in Formamide and Related Structures, J. Phys. Chem. A, 2020, 124, 328–338. Cite
1
M. Samadaei, M. Pinter, D. Senfter, S. Madlener, N. Rohr-Udilova, D. Iwan, K. Kamińska, E. Wojaczyńska, J. Wojaczyński and A. Kochel, Synthesis and Cytotoxic Activity of Chiral Sulfonamides Based on the 2-Azabicycloalkane Skeleton, Molecules, 2020, 25, 2355. Cite
1
J. Iwanejko, E. Wojaczyńska, E. Turlej, M. Maciejewska and J. Wietrzyk, Octahydroquinoxalin-2(1H)-One-Based Aminophosphonic Acids and Their Derivatives—Biological Activity towards Cancer Cells, Materials, 2020, 13, 2393. Cite
1
C.-K. Lim, M. Maldonado, R. Zalesny, R. Valiev, H. Ågren, A. S. L. Gomes, J. Jiang, R. Pachter and P. N. Prasad, Interlayer-Sensitized Linear and Nonlinear Photoluminescence of Quasi-2D Hybrid Perovskites Using Aggregation-Induced Enhanced Emission Active Organic Cation Layers, Advanced Functional Materials, 2020, 30, 1909375. Cite
1
T. N. Moshkina, E. V. Nosova, A. E. Kopotilova, G. N. Lipunova, M. S. Valova, L. K. Sadieva, D. S. Kopchuk, P. A. Slepukhin, R. Zaleśny, B. Ośmiałowski and V. N. Charushin, Synthesis and Photophysical Studies of Novel V-Shaped 2,3-Bis5-aryl-2-thienyl(dibenzo[f,h])quinoxalines, Asian Journal of Organic Chemistry, 2020, 9, 673–681. Cite
415588
K9CGVAY6
1
royal-society-of-chemistry-with-titles
50
date
desc
1
title
934
https://huckel.pl/wp-content/plugins/zotpress/
%7B%22status%22%3A%22success%22%2C%22updateneeded%22%3Afalse%2C%22instance%22%3Afalse%2C%22meta%22%3A%7B%22request_last%22%3A0%2C%22request_next%22%3A0%2C%22used_cache%22%3Atrue%7D%2C%22data%22%3A%5B%7B%22key%22%3A%227KGPBDY3%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Grabarz%20et%20al.%22%2C%22parsedDate%22%3A%222019-11-01%22%2C%22numChildren%22%3A4%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EA.%20M.%20Grabarz%2C%20B.%20J%5Cu0119drzejewska%2C%20A.%20Skotnicka%2C%20N.%20A.%20Murugan%2C%20F.%20Patalas%2C%20W.%20Bartkowiak%2C%20D.%20Jacquemin%20and%20B.%20O%5Cu015bmia%5Cu0142owski%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27http%3A%5C%2F%5C%2Fwww.sciencedirect.com%5C%2Fscience%5C%2Farticle%5C%2Fpii%5C%2FS0143720819303997%27%3EThe%20impact%20of%20the%20heteroatom%20in%20a%20five-membered%20ring%20on%20the%20photophysical%20properties%20of%20difluoroborates%3C%5C%2Fa%3E%2C%20%3Ci%3EDyes%20Pigm.%3C%5C%2Fi%3E%2C%202019%2C%20%3Cb%3E170%3C%5C%2Fb%3E%2C%20107481.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3D7KGPBDY3%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22The%20impact%20of%20the%20heteroatom%20in%20a%20five-membered%20ring%20on%20the%20photophysical%20properties%20of%20difluoroborates%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Anna%20M.%22%2C%22lastName%22%3A%22Grabarz%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Beata%22%2C%22lastName%22%3A%22J%5Cu0119drzejewska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Agnieszka%22%2C%22lastName%22%3A%22Skotnicka%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22N.%20Arul%22%2C%22lastName%22%3A%22Murugan%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Filip%22%2C%22lastName%22%3A%22Patalas%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Wojciech%22%2C%22lastName%22%3A%22Bartkowiak%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Denis%22%2C%22lastName%22%3A%22Jacquemin%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Borys%22%2C%22lastName%22%3A%22O%5Cu015bmia%5Cu0142owski%22%7D%5D%2C%22abstractNote%22%3A%22A%20series%20of%20novel%20BF2%20complexes%2C%20bearing%20a%20five-membered%20heterocyclic%20ring%20%28with%20X%5Cu202f%3D%5Cu202fNMe%2C%20O%2C%20and%20S%29%2C%20were%20synthesized%20and%20characterized%20with%20a%20focus%20on%20the%20influence%20of%20atom%20exchange%20on%20the%20photophysical%20properties%20of%20both%20unsubstituted%20and%20dimethylamino%20derivatives.%20The%20experimental%20results%20show%20that%20the%20optical%20spectra%20substantially%20differ%20in%20both%20sets%20of%20dyes.%20In%20particular%2C%20the%20dimethylamino%20series%20are%20more%20strongly%20affected%20by%20heteroatom%20substitution%2C%20i.e.%2C%20the%20insertion%20of%20X%5Cu202f%3D%5Cu202fO%20or%20X%5Cu202f%3D%5Cu202fS%20in%20lieu%20of%20X%5Cu202f%3D%5Cu202fNMe%20causes%20substantial%20bathochromic%20shifts%20of%20the%20absorption%20and%20emission%20bands%2C%20as%20well%20as%20marked%20changes%20in%20their%20topologies.%20In%20contrast%2C%20the%20optical%20spectra%20of%20the%20unsubstituted%20compounds%20undergo%20only%20relatively%20small%20red-shifts%2C%20and%20no%20variation%20of%20band%20shapes%20is%20observed.%20Moreover%2C%20the%20measured%20absorption%20spectra%20of%20the%20unsubstituted%20compounds%20bearing%20X%5Cu202f%3D%5Cu202fNMe%20and%20X%5Cu202f%3D%5Cu202fO%20are%20almost%20identical.%20Interestingly%2C%20the%20fluorescence%20yields%20of%20the%20dimethylamino%20derivatives%20are%20much%20larger%20%28up%20to%20one%20order%20of%20magnitude%29%20than%20those%20of%20the%20corresponding%20unsubstituted%20compounds.%20The%20experimental%20analyses%20are%20supported%20by%20state-of-the-art%20quantum%20chemistry%20calculations%2C%20which%20satisfactorily%20reproduced%20the%20experimental%20trends%20and%20provided%20further%20insights%20into%20the%20observed%20optical%20signatures.%22%2C%22date%22%3A%22November%201%2C%202019%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1016%5C%2Fj.dyepig.2019.04.026%22%2C%22ISSN%22%3A%220143-7208%22%2C%22url%22%3A%22http%3A%5C%2F%5C%2Fwww.sciencedirect.com%5C%2Fscience%5C%2Farticle%5C%2Fpii%5C%2FS0143720819303997%22%2C%22collections%22%3A%5B%22K9CGVAY6%22%2C%22KB9J8NIM%22%2C%225CTNFZQ8%22%2C%222Z6MVW4Z%22%5D%2C%22dateModified%22%3A%222020-06-07T13%3A00%3A56Z%22%7D%7D%2C%7B%22key%22%3A%22F45UHTBG%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Kinastowska%20et%20al.%22%2C%22parsedDate%22%3A%222019-04-01%22%2C%22numChildren%22%3A4%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EK.%20Kinastowska%2C%20J.%20Liu%2C%20J.%20M.%20Tobin%2C%20Y.%20Rakovich%2C%20F.%20Vilela%2C%20Z.%20Xu%2C%20W.%20Bartkowiak%20and%20M.%20Grzelczak%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27http%3A%5C%2F%5C%2Fwww.sciencedirect.com%5C%2Fscience%5C%2Farticle%5C%2Fpii%5C%2FS0926337318310488%27%3EPhotocatalytic%20cofactor%20regeneration%20involving%20triethanolamine%20revisited%3A%20The%20critical%20role%20of%20glycolaldehyde%3C%5C%2Fa%3E%2C%20%3Ci%3EAppl.%20Catal.%20B%3C%5C%2Fi%3E%2C%202019%2C%20%3Cb%3E243%3C%5C%2Fb%3E%2C%20686%5Cu2013692.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DF45UHTBG%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Photocatalytic%20cofactor%20regeneration%20involving%20triethanolamine%20revisited%3A%20The%20critical%20role%20of%20glycolaldehyde%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Karolina%22%2C%22lastName%22%3A%22Kinastowska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Jie%22%2C%22lastName%22%3A%22Liu%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22John%20M.%22%2C%22lastName%22%3A%22Tobin%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Yury%22%2C%22lastName%22%3A%22Rakovich%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Filipe%22%2C%22lastName%22%3A%22Vilela%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Zhengtao%22%2C%22lastName%22%3A%22Xu%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Wojciech%22%2C%22lastName%22%3A%22Bartkowiak%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Marek%22%2C%22lastName%22%3A%22Grzelczak%22%7D%5D%2C%22abstractNote%22%3A%22Triethanolamine%20is%20a%20widely%20used%20model%20electron%20donor%20that%20enables%20a%20fast%20screening%20of%20the%20photocatalyst%20parameters%20in%20both%2C%20homogeneous%20and%20heterogeneous%20scenarios.%20We%20report%20a%20new%20role%20of%20triethanolamine%20in%20heterogeneous%20photoregeneration%20of%20cofactor%20molecules%20%5Cu2013%20nicotinamide%20adenine%20dinucleotide%20%28NADH%29%20%5Cu2013%20using%20state-of-the-art%20heterogeneous%20photocatalysts.%20In%20contrast%20to%20the%20common%20model%20involving%20the%20light-induced%20electrons%20and%20holes%20generation%20to%20reduce%20the%20substrate%20and%20oxidize%20triethanolamine%20simultaneously%2C%20we%20identified%20glycolaldehyde%20as%20a%20stable%20product%20of%20triethanolamine%20degradation%20capable%20of%20reducing%20NAD%2B.%20Triethanolamine%2C%20apart%20from%20playing%20a%20role%20of%20a%20precursor%20for%20reducing%20agent%2C%20maintains%20the%20alkalinity%20of%20the%20solution%20to%20drive%20the%20reduction.%20Our%20findings%20offer%20a%20fresh%20insight%20into%20the%20triethanolamine-assisted%20photocatalysis%20because%20glycolaldehyde%20as%20such%20have%20generally%20been%20neglected%20in%20mechanistic%20considerations.%20Moreover%2C%20a%20spatial%20and%20temporal%20decoupling%20of%20the%20photocatalyst%20from%20the%20substrate%20reduction%20reaction%20minimizes%20the%20product%20re-oxidation%2C%20thus%20implying%20a%20relevant%20feature%20for%20the%20real-world%20applications%20using%20a%20continuous%20flow%20setting.%22%2C%22date%22%3A%22April%201%2C%202019%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1016%5C%2Fj.apcatb.2018.10.077%22%2C%22ISSN%22%3A%220926-3373%22%2C%22url%22%3A%22http%3A%5C%2F%5C%2Fwww.sciencedirect.com%5C%2Fscience%5C%2Farticle%5C%2Fpii%5C%2FS0926337318310488%22%2C%22collections%22%3A%5B%22K9CGVAY6%22%2C%22KB9J8NIM%22%2C%222Z6MVW4Z%22%5D%2C%22dateModified%22%3A%222020-06-07T13%3A03%3A36Z%22%7D%7D%2C%7B%22key%22%3A%22G46VRHRJ%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Cho%5Cu0142uj%20and%20Bartkowiak%22%2C%22parsedDate%22%3A%222019%22%2C%22numChildren%22%3A2%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EM.%20Cho%5Cu0142uj%20and%20W.%20Bartkowiak%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1002%5C%2Fqua.25997%27%3EElectric%20properties%20of%20molecules%20confined%20by%20the%20spherical%20harmonic%20potential%3C%5C%2Fa%3E%2C%20%3Ci%3EInt.%20J.%20Quantum%20Chem%3C%5C%2Fi%3E%2C%202019%2C%20%3Cb%3E119%3C%5C%2Fb%3E%2C%20e25997.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DG46VRHRJ%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Electric%20properties%20of%20molecules%20confined%20by%20the%20spherical%20harmonic%20potential%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22M.%22%2C%22lastName%22%3A%22Cho%5Cu0142uj%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22W.%22%2C%22lastName%22%3A%22Bartkowiak%22%7D%5D%2C%22abstractNote%22%3A%22The%20harmonic%20oscillator%20potential%20is%20very%20often%20used%20in%20quantum%20chemical%20studies%20of%20electric%20properties%20to%20model%20the%20effect%20of%20spatial%20confinement.%20In%20the%20vast%20majority%20of%20works%2C%20the%20harmonic%20potential%20of%20cylindrical%20symmetry%20was%20applied.%20Thus%20far%2C%20its%20spherical%20counterpart%20was%20used%20mainly%20to%20describe%20properties%20of%20spatially%20restricted%20atomic%20systems.%20Therefore%2C%20our%20main%20goal%20was%20to%20study%20the%20molecular%20electric%20properties%20in%20the%20presence%20of%20the%20spherically%20symmetric%20harmonic%20oscillator%20potential%20and%20to%20characterize%20the%20impact%20of%20the%20relative%20position%20of%20the%20considered%20molecules%20and%20spherical%20confinement%20on%20these%20properties.%20Moreover%2C%20we%20analyzed%20how%20the%20topology%20of%20confining%20environment%20affects%20the%20dipole%20moment%20and%20%28hyper%29polarizability%2C%20by%20comparing%20the%20results%20obtained%20in%20the%20spherical%20and%20cylindrical%20harmonic%20potential.%20Based%20on%20the%20conducted%20research%2C%20it%20was%20found%20that%20the%20position%20of%20the%20molecules%20relative%20to%20the%20spherical%20confinement%20strongly%20influences%20their%20electric%20properties.%20The%20observed%20trends%20of%20changes%20in%20the%20electric%20properties%2C%20caused%20by%20increasing%20the%20confinement%20strength%2C%20vary%20significantly.%20Moreover%2C%20it%20was%20shown%20that%20in%20the%20vast%20majority%20of%20cases%2C%20significant%20differences%20in%20the%20values%20of%20electric%20properties%2C%20obtained%20in%20the%20cylindrical%20and%20spherical%20confinement%20of%20a%20given%20strength%2C%20occur.%20%5Cu00a9%202019%20Wiley%20Periodicals%2C%20Inc.%22%2C%22date%22%3A%222019%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1002%5C%2Fqua.25997%22%2C%22ISSN%22%3A%22%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1002%5C%2Fqua.25997%22%2C%22collections%22%3A%5B%22K9CGVAY6%22%2C%22KB9J8NIM%22%2C%222Z6MVW4Z%22%5D%2C%22dateModified%22%3A%222020-06-07T12%3A46%3A11Z%22%7D%7D%2C%7B%22key%22%3A%22TKTUI556%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Woli%5Cu0144ska%20et%20al.%22%2C%22parsedDate%22%3A%222019%22%2C%22numChildren%22%3A4%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%20%20%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EE.%20Woli%26%23x144%3Bska%2C%20K.%20Ha%26%23x142%3Bdys%2C%20J.%20G%26%23xF3%3Bra%2C%20T.%20K.%20Olszewski%2C%20B.%20Boduszek%20and%20R.%20Latajka%2C%20Phosphonic%20and%20Phosphinic%20Acid%20Derivatives%20as%20Novel%20Tyrosinase%20Inhibitors%3A%20Kinetic%20Studies%20and%20Molecular%20Docking%2C%20%3Ci%3EChemistry%20and%20Biodiversity%3C%5C%2Fi%3E%2C%20%2C%20DOI%3A10.1002%5C%2Fcbdv.201900167.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DTKTUI556%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Phosphonic%20and%20Phosphinic%20Acid%20Derivatives%20as%20Novel%20Tyrosinase%20Inhibitors%3A%20Kinetic%20Studies%20and%20Molecular%20Docking%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22E.%22%2C%22lastName%22%3A%22Woli%5Cu0144ska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22K.%22%2C%22lastName%22%3A%22Ha%5Cu0142dys%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22J.%22%2C%22lastName%22%3A%22G%5Cu00f3ra%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22T.K.%22%2C%22lastName%22%3A%22Olszewski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22B.%22%2C%22lastName%22%3A%22Boduszek%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22R.%22%2C%22lastName%22%3A%22Latajka%22%7D%5D%2C%22abstractNote%22%3A%22A%20dozen%20of%20phosphonic%20and%20phosphinic%20acid%20derivatives%20containing%20pyridine%20moiety%20were%20synthesized%20and%20its%20inhibitory%20activity%20toward%20mushroom%20tyrosinase%20was%20investigated.%20Moreover%2C%20molecular%20docking%20of%20these%20compounds%20to%20the%20active%20site%20of%20the%20enzyme%20was%20performed.%20All%20the%20compounds%20%281%5Cu201310%29%20demonstrated%20the%20inhibitory%20effect%20with%20the%20IC50%20and%20inhibition%20constants%20ranging%20millimolar%20concentrations.%20The%20obtained%20results%20indicate%20that%20the%20compounds%20show%20different%20types%20of%20inhibition%20%28competitive%2C%20noncompetitive%2C%20mixed%29%2C%20but%20all%20of%20them%20are%20reversible%20inhibitors.%20The%20obtained%20outcomes%20allowed%20to%20make%20the%20structure%5Cu2013activity%20relationship%20%28SAR%29%20analysis.%20Compound%204%20%28%5B%28benzylamino%29%28pyridin-2-yl%29methyl%5Dphenylphosphinic%20acid%29%20revealed%20the%20lowest%20IC50%20value%20of%200.3%20mm%20and%20inhibitory%20constant%20of%20Ki%200.076%20mm%2C%20with%20noncompetitive%20type%20and%20reversible%20mechanism%20of%20inhibition.%20According%20to%20SAR%20analysis%2C%20introducing%20bulky%20phenyl%20moieties%20to%20phosphonic%20and%20amino%20groups%20plays%20an%20important%20role%20in%20the%20inhibitory%20potency%20on%20activity%20of%20mushroom%20tyrosinase%20and%20could%20be%20useful%20in%20design%20and%20development%20of%20a%20new%20class%20of%20potent%20organophosphorus%20inhibitors%20of%20tyrosinase.%20Combined%20results%20of%20molecular%20docking%20and%20SAR%20analysis%20can%20be%20helpful%20in%20designing%20novel%20tyrosinase%20inhibitors%20of%20desired%20properties.%20They%20may%20have%20broad%20application%20in%20food%20industry%20and%20cosmetology.%20%5Cu00a9%202019%20Wiley-VHCA%20AG%2C%20Zurich%2C%20Switzerland%22%2C%22date%22%3A%222019%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1002%5C%2Fcbdv.201900167%22%2C%22ISSN%22%3A%22%22%2C%22url%22%3A%22%22%2C%22collections%22%3A%5B%22K9CGVAY6%22%5D%2C%22dateModified%22%3A%222020-06-06T05%3A22%3A31Z%22%7D%7D%2C%7B%22key%22%3A%22EZFC2VJ5%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Gu%5Cu0142ajski%20et%20al.%22%2C%22parsedDate%22%3A%222019%22%2C%22numChildren%22%3A5%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%20%20%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3E%26%23x141%3B.%20Gu%26%23x142%3Bajski%2C%20A.%20Tracz%2C%20K.%20Urbaniak%2C%20S.%20J.%20Czarnocki%2C%20M.%20Bieniek%20and%20T.%20K.%20Olszewski%2C%20Ammonium-tagged%20ruthenium-based%20catalysts%20for%20olefin%20metathesis%20in%20aqueous%20media%20under%20ultrasound%20and%20microwave%20irradiation%2C%20%3Ci%3EBeilstein%20Journal%20of%20Organic%20Chemistry%3C%5C%2Fi%3E%2C%202019%2C%20%3Cb%3E15%3C%5C%2Fb%3E%2C%20160%26%23x2013%3B166.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DEZFC2VJ5%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Ammonium-tagged%20ruthenium-based%20catalysts%20for%20olefin%20metathesis%20in%20aqueous%20media%20under%20ultrasound%20and%20microwave%20irradiation%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22%5Cu0141.%22%2C%22lastName%22%3A%22Gu%5Cu0142ajski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22A.%22%2C%22lastName%22%3A%22Tracz%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22K.%22%2C%22lastName%22%3A%22Urbaniak%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22S.J.%22%2C%22lastName%22%3A%22Czarnocki%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22M.%22%2C%22lastName%22%3A%22Bieniek%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22T.K.%22%2C%22lastName%22%3A%22Olszewski%22%7D%5D%2C%22abstractNote%22%3A%22The%20influence%20of%20microwave%20and%20ultrasonic%20irradiation%20on%20the%20performance%20of%20ammonium-tagged%20Ru-based%20catalysts%20in%20olefin%20metathesis%20transformations%20in%20aqueous%20media%20was%20studied.%20Differences%20in%20the%20catalytic%20activity%20in%20correlation%20with%20the%20nature%20of%20the%20present%20counter%20ion%20and%20the%20size%20of%20the%20N-heterocyclic%20carbene%20%28NHC%29%20ligand%20were%20revealed.%20The%20presented%20methodology%20allows%20for%20preparation%20of%20a%20variety%20of%20polar%20and%20non-polar%20metathesis%20products%20under%20environmentally%20friendly%20conditions.%20%5Cu00a9%202019%20Gu%5Cu0142ajski%20et%20al.%22%2C%22date%22%3A%222019%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.3762%5C%2Fbjoc.15.16%22%2C%22ISSN%22%3A%22%22%2C%22url%22%3A%22%22%2C%22collections%22%3A%5B%22K9CGVAY6%22%5D%2C%22dateModified%22%3A%222020-06-06T05%3A23%3A51Z%22%7D%7D%2C%7B%22key%22%3A%22D43FPYGJ%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Iwanejko%20et%20al.%22%2C%22parsedDate%22%3A%222019%22%2C%22numChildren%22%3A5%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%20%20%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EJ.%20Iwanejko%2C%20A.%20Brol%2C%20B.%20M.%20Szyja%2C%20M.%20Daszkiewicz%2C%20E.%20Wojaczy%26%23x144%3Bska%20and%20T.%20K.%20Olszewski%2C%20Aminophosphonates%20and%20aminophosphonic%20acids%20with%20tetrasubstituted%20stereogenic%20center%3A%20Diastereoselective%20synthesis%20from%20cyclic%20ketimines%2C%20%3Ci%3EOrganic%20and%20Biomolecular%20Chemistry%3C%5C%2Fi%3E%2C%202019%2C%20%3Cb%3E17%3C%5C%2Fb%3E%2C%207352%26%23x2013%3B7359.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DD43FPYGJ%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Aminophosphonates%20and%20aminophosphonic%20acids%20with%20tetrasubstituted%20stereogenic%20center%3A%20Diastereoselective%20synthesis%20from%20cyclic%20ketimines%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22J.%22%2C%22lastName%22%3A%22Iwanejko%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22A.%22%2C%22lastName%22%3A%22Brol%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22B.M.%22%2C%22lastName%22%3A%22Szyja%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22M.%22%2C%22lastName%22%3A%22Daszkiewicz%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22E.%22%2C%22lastName%22%3A%22Wojaczy%5Cu0144ska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22T.K.%22%2C%22lastName%22%3A%22Olszewski%22%7D%5D%2C%22abstractNote%22%3A%22New%20chiral%20tetrasubstituted%20aminophosphonic%20acid%20derivatives%20of%20hexahydroquinoxalin-2%281H%29-one%20were%20synthesised%20via%20highly%20diastereoselective%20hydrophosphonylation%20of%20the%20corresponding%20imines%20with%20tris%28trimethylsilyl%29%20phosphite%20as%20phosphorus%20nucleophile.%20High%20asymmetric%20induction%2C%20good%20yields%2C%20mild%20reaction%20conditions%2C%20and%20ease%20of%20purification%20of%20the%20final%20products%20are%20the%20key%20advantages%20of%20the%20presented%20protocol.%20%5Cu00a9%202019%20The%20Royal%20Society%20of%20Chemistry.%22%2C%22date%22%3A%222019%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1039%5C%2Fc9ob01346f%22%2C%22ISSN%22%3A%22%22%2C%22url%22%3A%22%22%2C%22collections%22%3A%5B%22K9CGVAY6%22%5D%2C%22dateModified%22%3A%222020-06-07T11%3A22%3A09Z%22%7D%7D%2C%7B%22key%22%3A%22NZAK3D3B%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Olszewski%20et%20al.%22%2C%22parsedDate%22%3A%222019%22%2C%22numChildren%22%3A5%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%20%20%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3ET.%20K.%20Olszewski%2C%20P.%20Adler%20and%20C.%20Grison%2C%20Bio-based%20catalysts%20from%20biomass%20issued%20after%20decontamination%20of%20effluents%20rich%20in%20copper%26%23x2014%3B%20an%20innovative%20approach%20towards%20greener%20copper-based%20catalysis%2C%20%3Ci%3ECatalysts%3C%5C%2Fi%3E%2C%20%2C%20DOI%3A10.3390%5C%2Fcatal9030214.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DNZAK3D3B%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Bio-based%20catalysts%20from%20biomass%20issued%20after%20decontamination%20of%20effluents%20rich%20in%20copper%5Cu2014%20an%20innovative%20approach%20towards%20greener%20copper-based%20catalysis%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22T.K.%22%2C%22lastName%22%3A%22Olszewski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22P.%22%2C%22lastName%22%3A%22Adler%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22C.%22%2C%22lastName%22%3A%22Grison%22%7D%5D%2C%22abstractNote%22%3A%22The%20abundance%20of%20Cu-contaminated%20effluents%20and%20the%20serious%20risk%20of%20contamination%20of%20the%20aquatic%20systems%20combine%20to%20provide%20strong%20motivating%20factors%20to%20tackle%20this%20environmental%20problem.%20The%20treatment%20of%20polluted%20effluents%20by%20rhizofiltration%20and%20biosorption%20is%20an%20interesting%20ecological%20alternative.%20Taking%20advantage%20of%20the%20remarkable%20ability%20of%20the%20selected%20plants%20to%20bioconcentrate%20copper%20into%20roots%2C%20these%20methods%20have%20been%20exploited%20for%20the%20decontamination%20of%20copper-rich%20effluents.%20Herein%2C%20we%20present%20an%20overview%20on%20the%20utility%20of%20the%20resulted%20copper-rich%20biomass%20for%20the%20preparation%20of%20novel%20bio-sourced%20copper-based%20catalysts%20for%20copper-mediated%20reactions%3A%20from%20the%20bioaccumulation%20of%20copper%20in%20plant%2C%20to%20the%20preparation%20and%20full%20analysis%20of%20the%20new%20Eco-Cu%20catalysts%2C%20and%20their%20application%20in%20selected%20key%20reactions.%20The%20hydrolysis%20of%20a%20thiophosphate%2C%20an%20Ullmann-type%20coupling%20leading%20to%20N-and%20O-arylated%20compounds%2C%20and%20a%20CuAAC%20%5Cu201cclick%5Cu201d%20reaction%2C%20all%20performed%20under%20green%20and%20environmentally%20friendly%20conditions%2C%20will%20be%20described.%20%5Cu00a9%202019%20by%20the%20authors.%20Licensee%20MDPI%2C%20Basel%2C%20Switzerland.%22%2C%22date%22%3A%222019%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.3390%5C%2Fcatal9030214%22%2C%22ISSN%22%3A%22%22%2C%22url%22%3A%22%22%2C%22collections%22%3A%5B%22K9CGVAY6%22%5D%2C%22dateModified%22%3A%222020-06-06T05%3A23%3A07Z%22%7D%7D%2C%7B%22key%22%3A%229UIARGTE%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Iwanejko%20et%20al.%22%2C%22parsedDate%22%3A%222019%22%2C%22numChildren%22%3A5%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%20%20%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EJ.%20Iwanejko%2C%20A.%20Brol%2C%20B.%20Szyja%2C%20M.%20Daszkiewicz%2C%20E.%20Wojaczy%26%23x144%3Bska%20and%20T.%20K.%20Olszewski%2C%20Hydrophosphonylation%20of%20chiral%20hexahydroquinoxalin-2%281H%29-one%20derivatives%20as%20an%20effective%20route%20to%20new%20bicyclic%20compounds%3A%20Aminophosphonates%2C%20enamines%20and%20imines%2C%20%3Ci%3ETetrahedron%3C%5C%2Fi%3E%2C%202019%2C%20%3Cb%3E75%3C%5C%2Fb%3E%2C%201431%26%23x2013%3B1439.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3D9UIARGTE%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Hydrophosphonylation%20of%20chiral%20hexahydroquinoxalin-2%281H%29-one%20derivatives%20as%20an%20effective%20route%20to%20new%20bicyclic%20compounds%3A%20Aminophosphonates%2C%20enamines%20and%20imines%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22J.%22%2C%22lastName%22%3A%22Iwanejko%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22A.%22%2C%22lastName%22%3A%22Brol%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22B.%22%2C%22lastName%22%3A%22Szyja%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22M.%22%2C%22lastName%22%3A%22Daszkiewicz%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22E.%22%2C%22lastName%22%3A%22Wojaczy%5Cu0144ska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22T.K.%22%2C%22lastName%22%3A%22Olszewski%22%7D%5D%2C%22abstractNote%22%3A%22A%20series%20of%20new%20aminophosphonate%20and%20phosphonic%20acid%20derivatives%20of%20hexahydroquinoxalin-2%281H%29-ones%20and%20tetrahydroquinoxalin-2%281H%29-ones%20were%20synthesised%20via%20hydrophosphonylation%20of%20the%20corresponding%20bicyclic%20imines%20with%20various%20dialkyl%20or%20diaryl%20H-phosphonates%2C%20H-phosphinates%20or%20H-phosphine%20oxides%20as%20phosphorus%20nucleophiles.%20The%20utility%20of%20the%20obtained%20compounds%20was%20demonstrated%20by%20their%20application%20as%20a%20source%20of%20phosphonate%20carbanion%20in%20the%20Horner-Wadsworth-Emmons%20%28HWE%29%20reaction%20leading%20to%20new%20bicyclic%20amines%20with%20an%20exocyclic%2C%20and%20unexpectedly%2C%20also%20endocyclic%20double%20bond%20depending%20on%20the%20structure%20of%20the%20aldehyde%20used.%20%5Cu00a9%202019%20Elsevier%20Ltd%22%2C%22date%22%3A%222019%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1016%5C%2Fj.tet.2019.01.062%22%2C%22ISSN%22%3A%22%22%2C%22url%22%3A%22%22%2C%22collections%22%3A%5B%22K9CGVAY6%22%5D%2C%22dateModified%22%3A%222020-06-07T11%3A22%3A24Z%22%7D%7D%2C%7B%22key%22%3A%22624HAU6V%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Stanovych%20et%20al.%22%2C%22parsedDate%22%3A%222019%22%2C%22numChildren%22%3A2%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%20%20%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EA.%20Stanovych%2C%20M.%20Balloy%2C%20T.%20K.%20Olszewski%2C%20E.%20Petit%20and%20C.%20Grison%2C%20Depollution%20of%20mining%20effluents%3A%20innovative%20mobilization%20of%20plant%20resources%2C%20%3Ci%3EEnvironmental%20Science%20and%20Pollution%20Research%3C%5C%2Fi%3E%2C%202019%2C%20%3Cb%3E26%3C%5C%2Fb%3E%2C%2019327%26%23x2013%3B19334.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3D624HAU6V%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Depollution%20of%20mining%20effluents%3A%20innovative%20mobilization%20of%20plant%20resources%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22A.%22%2C%22lastName%22%3A%22Stanovych%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22M.%22%2C%22lastName%22%3A%22Balloy%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22T.K.%22%2C%22lastName%22%3A%22Olszewski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22E.%22%2C%22lastName%22%3A%22Petit%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22C.%22%2C%22lastName%22%3A%22Grison%22%7D%5D%2C%22abstractNote%22%3A%22Based%20on%20the%20ability%20of%20some%20specific%20aquatic%20plants%20to%20concentrate%20metals%20in%20their%20roots%2C%20we%20propose%20an%20innovative%20biosorption%20system%20to%20clean%20up%20mining%20effluents.%20The%20system%20we%20propose%20represents%20an%20interesting%20solution%20to%20an%20important%20environmental%20problem%2C%20the%20decontamination%20of%20metal-polluted%20water%20and%20prevention%20of%20dispersal%20of%20metals%20into%20the%20environment.%20The%20solution%20presented%20is%20a%20form%20of%20ecological%20recycling%20of%20Zn%2C%20an%20essential%20primary%20metal%20in%20many%20industrial%20applications.%20Finally%2C%20the%20methodology%20developed%20is%20a%20sustainable%20way%20of%20managing%20the%20biomass%20from%20eradication%20or%20control%20of%20invasive%20plants.%20%5Cu00a9%202019%2C%20Springer-Verlag%20GmbH%20Germany%2C%20part%20of%20Springer%20Nature.%22%2C%22date%22%3A%222019%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1007%5C%2Fs11356-019-05027-y%22%2C%22ISSN%22%3A%22%22%2C%22url%22%3A%22%22%2C%22collections%22%3A%5B%22K9CGVAY6%22%5D%2C%22dateModified%22%3A%222020-06-06T05%3A22%3A53Z%22%7D%7D%2C%7B%22key%22%3A%2287CAL5U4%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22De%20Laet%20et%20al.%22%2C%22parsedDate%22%3A%222019%22%2C%22numChildren%22%3A2%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%20%20%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EC.%20De%20Laet%2C%20T.%20K.%20Olszewski%20and%20C.%20Grison%2C%20Melliferous%20potential%20of%20Mentha%20aquatica%2C%20%3Ci%3EJournal%20of%20Apicultural%20Research%3C%5C%2Fi%3E%2C%202019%2C%20%3Cb%3E58%3C%5C%2Fb%3E%2C%20714%26%23x2013%3B719.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3D87CAL5U4%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Melliferous%20potential%20of%20Mentha%20aquatica%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22C.%22%2C%22lastName%22%3A%22De%20Laet%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22T.K.%22%2C%22lastName%22%3A%22Olszewski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22C.%22%2C%22lastName%22%3A%22Grison%22%7D%5D%2C%22abstractNote%22%3A%22The%20abundance%20and%20diversity%20of%20flowers%20have%20declined%20and%20bees%20are%20chronically%20exposed%20to%20numerous%20pressures%20such%20as%20cocktails%20of%20agrochemicals%2C%20parasites%20and%20predators%2C%20climate%20change%2C%20and%20lack%20of%20floral%20resources.%20Chronic%20exposure%20to%20multiple%20interacting%20stressors%20is%20driving%20honey%20bee%20colony%20losses%20and%20declines%20of%20wild%20pollinators%2C%20that%20may%20lead%20to%20%5Cu201cpollination%20crisis%5Cu201d%20in%20which%20crop%20yields%20begin%20to%20fall.%20Effective%20monitoring%20of%20pollinator%20populations%20is%20urgently%20needed%20to%20inform%20management%20strategies%20into%20the%20future.%20Additionally%2C%20strategies%20to%20reinforce%20the%20health%20and%20well-being%20of%20bees%20are%20needed.%20Based%20on%20the%20literature%20data%20gathered%2C%20we%20propose%20to%20use%20Mentha%20aquatica%20as%20an%20additional%20melliferous%20plant%20to%20support%20bees%5Cu2019%20nutritional%20needs%20and%20develop%20diverse%20and%20nutritionally%20balanced%20plant%20communities.%20Here%2C%20we%20review%20the%20literature%20data%20concerning%20the%20implantation%20of%20the%20genus%20Mentha%20to%20complete%20the%20foraging%20schedule%20of%20Apis%20mellifera%20with%20special%20emphasis%20on%20its%20use%20as%20valuable%20nutritionally%20resource%20and%20source%20of%20nutritional%20diversity.%20Additionally%2C%20we%20discuss%20the%20aspects%20of%20attractiveness%20of%20genus%20Mentha%20to%20honey%20bees.%20Our%20list%20of%20facts%20thus%20far%20reported%20in%20the%20literature%20on%20the%20use%20of%20M.%20aquatica%20will%20help%20in%20implementation%20of%20this%20specimen%20in%20helping%20the%20bees%20that%20are%20in%20difficult%20situation.%20%5Cu00a9%202019%2C%20%5Cu00a9%202019%20International%20Bee%20Research%20Association.%22%2C%22date%22%3A%222019%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1080%5C%2F00218839.2019.1656160%22%2C%22ISSN%22%3A%22%22%2C%22url%22%3A%22%22%2C%22collections%22%3A%5B%22K9CGVAY6%22%5D%2C%22dateModified%22%3A%222020-06-06T05%3A23%3A59Z%22%7D%7D%2C%7B%22key%22%3A%22IM45L5W4%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22%5Cu017byma%5Cu0144czyk-Duda%20et%20al.%22%2C%22parsedDate%22%3A%222019%22%2C%22numChildren%22%3A0%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EE.%20%5Cu017byma%5Cu0144czyk-Duda%2C%20N.%20Dunal%2C%20M.%20Brzezi%5Cu0144ska-Rodak%2C%20A.%20Osiewa%5Cu0142a%2C%20T.%20K.%20Olszewski%2C%20M.%20Klimek-Ochab%20and%20M.%20A.%20Serafin-Lewa%5Cu0144czuk%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fwww.sciencedirect.com%5C%2Fscience%5C%2Farticle%5C%2Fpii%5C%2FS0045206818313270%3Fvia%253Dihub%27%3EFirst%20biological%20conversion%20of%20chiral%20heterophosphonate%20derivative%20-%20scaling%20and%20paths%20of%20conversion%20discussion%20%5C%2F%3C%5C%2Fa%3E%2C%20%3Ci%3EBioorganic%20Chemistry.%3C%5C%2Fi%3E%2C%20%2C%20DOI%3A10.1016%5C%2Fj.bioorg.2019.01.047.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DIM45L5W4%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22First%20biological%20conversion%20of%20chiral%20heterophosphonate%20derivative%20-%20scaling%20and%20paths%20of%20conversion%20discussion%20%5C%2F%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Ewa%22%2C%22lastName%22%3A%22%5Cu017byma%5Cu0144czyk-Duda%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Natalia%22%2C%22lastName%22%3A%22Dunal%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Ma%5Cu0142gorzata%22%2C%22lastName%22%3A%22Brzezi%5Cu0144ska-Rodak%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Angelika%22%2C%22lastName%22%3A%22Osiewa%5Cu0142a%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Tomasz%20K.%22%2C%22lastName%22%3A%22Olszewski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Magdalena%22%2C%22lastName%22%3A%22Klimek-Ochab%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Monika%20A.%22%2C%22lastName%22%3A%22Serafin-Lewa%5Cu0144czuk%22%7D%5D%2C%22abstractNote%22%3A%22%22%2C%22date%22%3A%222019%22%2C%22language%22%3A%22eng%22%2C%22DOI%22%3A%2210.1016%5C%2Fj.bioorg.2019.01.047%22%2C%22ISSN%22%3A%220045-2068%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fwww.sciencedirect.com%5C%2Fscience%5C%2Farticle%5C%2Fpii%5C%2FS0045206818313270%3Fvia%253Dihub%22%2C%22collections%22%3A%5B%22K9CGVAY6%22%5D%2C%22dateModified%22%3A%222020-06-02T13%3A29%3A12Z%22%7D%7D%2C%7B%22key%22%3A%22M94W3WRG%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Zaklika%20et%20al.%22%2C%22parsedDate%22%3A%222019%22%2C%22numChildren%22%3A3%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%20%20%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EJ.%20Zaklika%2C%20L.%20Komorowski%20and%20P.%20Ordon%2C%20Evolution%20of%20the%20atomic%20valence%20observed%20by%20the%20reaction%20fragility%20spectra%20on%20the%20reaction%20path%2C%20%3Ci%3EJournal%20of%20molecular%20modeling%3C%5C%2Fi%3E%2C%202019%2C%20%3Cb%3E25%3C%5C%2Fb%3E%2C%20134.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DM94W3WRG%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Evolution%20of%20the%20atomic%20valence%20observed%20by%20the%20reaction%20fragility%20spectra%20on%20the%20reaction%20path%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22J.%22%2C%22lastName%22%3A%22Zaklika%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22L.%22%2C%22lastName%22%3A%22Komorowski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22P.%22%2C%22lastName%22%3A%22Ordon%22%7D%5D%2C%22abstractNote%22%3A%22The%20computational%20fragility%20spectra%20of%20atoms%20on%20the%20reaction%20path%20are%20presented%20for%20a%20selection%20of%20canonical%20processes%20represented%20by%20an%20amino%20group%20rotation%20around%20the%20%28X%29HC-NH%28Y%29%20bond%20%28X%5Cu2009%3D%5Cu2009O%2C%20S%3B%20Y%3DH%2C%20CH3%29.%20Calculated%20spectra%20are%20found%20to%20very%20accurately%20describe%20the%20variation%20of%20atomic%20valence.%20Significant%20linear%20correlation%20is%20also%20demonstrated%20between%20the%20Wiberg%20bond%20indices%20and%20the%20corresponding%20elements%20of%20the%20connectivity%20matrix%2C%20instrumental%20for%20calculation%20of%20the%20spectra.%20Demonstrated%20atomic%20fragility%20spectra%20contain%20rich%20and%20subtle%20information%20on%20the%20variation%20of%20the%20bonding%20status%20of%20all%20atoms%2C%20including%20the%20weak%20interacting%20individual%20hydrogens.%20Correlation%20with%20the%20atomic%20valences%20confirm%20the%20earlier%20finding%20that%20the%20spectra%20contain%20a%20picture%20of%20the%20electron%20density%20flow%20upon%20a%20reaction.%22%2C%22date%22%3A%222019%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1007%5C%2Fs00894-019-4029-0%22%2C%22ISSN%22%3A%22%22%2C%22url%22%3A%22%22%2C%22collections%22%3A%5B%22K9CGVAY6%22%2C%22QKBMCJZP%22%5D%2C%22dateModified%22%3A%222020-06-06T19%3A01%3A43Z%22%7D%7D%2C%7B%22key%22%3A%22M9BZMEZZ%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Zaklika%20et%20al.%22%2C%22parsedDate%22%3A%222019%22%2C%22numChildren%22%3A2%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%20%20%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EJ.%20Zaklika%2C%20L.%20Komorowski%20and%20P.%20Ordon%2C%20Bond%20Fragility%20Spectra%20for%20the%20Double%20Proton-Transfer%20Reaction%20in%20the%20Formic%20Acid-Type%20Dimers%2C%20%3Ci%3EJournal%20of%20Physical%20Chemistry%20A%3C%5C%2Fi%3E%2C%202019%2C%20%3Cb%3E123%3C%5C%2Fb%3E%2C%204274%26%23x2013%3B4283.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DM9BZMEZZ%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Bond%20Fragility%20Spectra%20for%20the%20Double%20Proton-Transfer%20Reaction%20in%20the%20Formic%20Acid-Type%20Dimers%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22J.%22%2C%22lastName%22%3A%22Zaklika%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22L.%22%2C%22lastName%22%3A%22Komorowski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22P.%22%2C%22lastName%22%3A%22Ordon%22%7D%5D%2C%22abstractNote%22%3A%22The%20newly%20developed%20method%20of%20fragility%20spectra%20for%20observation%20of%20bond%20breaking%20and%20formation%20upon%20a%20reaction%20has%20been%20applied%20to%20the%20canonical%20reaction%20series%20of%20the%20double%20proton%20transfer%20%28DPT%29.%20Formic%20acid%20and%20its%20thio-analogues%20HCXYH%20%28X%2C%20Y%20%3D%20O%2C%20S%29%20have%20been%20chosen%20for%20the%20analysis.%20Very%20accurate%20linear%20correlations%20have%20been%20determined%20between%20the%20nondiagonal%20elements%20of%20the%20connectivity%20matrix%2C%20essential%20for%20the%20method%2C%20and%20the%20Wiberg%20bond%20orders%20for%20the%20corresponding%20bonds.%20Relation%20of%20the%20slope%20of%20this%20correlation%20to%20the%20global%20softness%20and%20to%20the%20atomic%20numbers%20of%20the%20bonded%20atoms%20has%20been%20proved%2C%20thus%20corroborating%20the%20c-DFT%20formula%20describing%20the%20fragility%20spectra.%20The%20electron%20density%20changes%20in%20bonds%2C%20as%20observed%20by%20the%20fragility%20spectra%2C%20are%20in%20harmony%20with%20the%20curvature%20diagrams%20reported%20by%20other%20authors.%20%5Cu00a9%202019%20American%20Chemical%20Society.%22%2C%22date%22%3A%222019%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1021%5C%2Facs.jpca.9b00595%22%2C%22ISSN%22%3A%22%22%2C%22url%22%3A%22%22%2C%22collections%22%3A%5B%22K9CGVAY6%22%2C%22QKBMCJZP%22%5D%2C%22dateModified%22%3A%222020-06-06T19%3A01%3A43Z%22%7D%7D%2C%7B%22key%22%3A%22M3XZ3WM5%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Ignatiuk%20et%20al.%22%2C%22parsedDate%22%3A%222019%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3E%5Cu017b.%20A.%20Ignatiuk%2C%20M.%20J.%20Janicki%2C%20R.%20W.%20G%5Cu00f3ra%2C%20K.%20Konieczny%20and%20R.%20Kowalczyk%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fonlinelibrary.wiley.com%5C%2Fdoi%5C%2Fabs%5C%2F10.1002%5C%2Fadsc.201801498%27%3EApplications%20of%20Thermal%20Activation%2C%20Ball-milling%20and%20Aqueous%20Medium%20in%20Stereoselective%20Michael%20Addition%20of%20Nitromethane%20to%20Enynones%20Catalyzed%20by%20Chiral%20Squaramides%3C%5C%2Fa%3E%2C%20%3Ci%3EAdv.%20Synth.%20Catal.%3C%5C%2Fi%3E%2C%202019%2C%20%3Cb%3E361%3C%5C%2Fb%3E%2C%201108%5Cu20131116.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DM3XZ3WM5%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Applications%20of%20Thermal%20Activation%2C%20Ball-milling%20and%20Aqueous%20Medium%20in%20Stereoselective%20Michael%20Addition%20of%20Nitromethane%20to%20Enynones%20Catalyzed%20by%20Chiral%20Squaramides%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22%5Cu017baneta%20A.%22%2C%22lastName%22%3A%22Ignatiuk%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Miko%5Cu0142aj%20J.%22%2C%22lastName%22%3A%22Janicki%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Robert%20W.%22%2C%22lastName%22%3A%22G%5Cu00f3ra%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Krzysztof%22%2C%22lastName%22%3A%22Konieczny%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Rafa%5Cu0142%22%2C%22lastName%22%3A%22Kowalczyk%22%7D%5D%2C%22abstractNote%22%3A%22Stereoselective%20addition%20of%20nitromethane%20to%20conjugated%20en-ynones%20was%20performed%20through%20the%20application%20of%20chiral%20squaramides.%20Three%20non-classical%20approaches%20to%20promote%20the%20addition%20reaction%20were%20tested%2C%20including%20activation%20of%20the%20nucleophile%20by%20inorganic%20base%20in%20a%20biphasic%20aqueous%20system%2C%20thermal%20activation%2C%20and%20ball-milling.%20Hydrogen-bonding%20catalysis%20was%20effective%20in%20all%20these%20methods%2C%20providing%201%2C4-addition%20products%20in%20high%20yields%20and%20stereoselectivities%20of%20up%20to%2098%25%20requiring%201%5Cu20135%20mol%25%20of%20Cinchona%20alkaloid%20squaramide.%22%2C%22date%22%3A%222019%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1002%5C%2Fadsc.201801498%22%2C%22ISSN%22%3A%221615-4169%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fonlinelibrary.wiley.com%5C%2Fdoi%5C%2Fabs%5C%2F10.1002%5C%2Fadsc.201801498%22%2C%22collections%22%3A%5B%22K9CGVAY6%22%2C%22EF638XSV%22%2C%22K3KTV3GZ%22%5D%2C%22dateModified%22%3A%222020-06-06T18%3A56%3A35Z%22%7D%7D%5D%7D
1
A. M. Grabarz, B. Jędrzejewska, A. Skotnicka, N. A. Murugan, F. Patalas, W. Bartkowiak, D. Jacquemin and B. Ośmiałowski, The impact of the heteroatom in a five-membered ring on the photophysical properties of difluoroborates, Dyes Pigm., 2019, 170, 107481. Cite
1
K. Kinastowska, J. Liu, J. M. Tobin, Y. Rakovich, F. Vilela, Z. Xu, W. Bartkowiak and M. Grzelczak, Photocatalytic cofactor regeneration involving triethanolamine revisited: The critical role of glycolaldehyde, Appl. Catal. B, 2019, 243, 686–692. Cite
1
M. Chołuj and W. Bartkowiak, Electric properties of molecules confined by the spherical harmonic potential, Int. J. Quantum Chem, 2019, 119, e25997. Cite
1
E. Wolińska, K. Hałdys, J. Góra, T. K. Olszewski, B. Boduszek and R. Latajka, Phosphonic and Phosphinic Acid Derivatives as Novel Tyrosinase Inhibitors: Kinetic Studies and Molecular Docking, Chemistry and Biodiversity, , DOI:10.1002/cbdv.201900167. Cite
1
Ł. Gułajski, A. Tracz, K. Urbaniak, S. J. Czarnocki, M. Bieniek and T. K. Olszewski, Ammonium-tagged ruthenium-based catalysts for olefin metathesis in aqueous media under ultrasound and microwave irradiation, Beilstein Journal of Organic Chemistry, 2019, 15, 160–166. Cite
1
J. Iwanejko, A. Brol, B. M. Szyja, M. Daszkiewicz, E. Wojaczyńska and T. K. Olszewski, Aminophosphonates and aminophosphonic acids with tetrasubstituted stereogenic center: Diastereoselective synthesis from cyclic ketimines, Organic and Biomolecular Chemistry, 2019, 17, 7352–7359. Cite
1
T. K. Olszewski, P. Adler and C. Grison, Bio-based catalysts from biomass issued after decontamination of effluents rich in copper— an innovative approach towards greener copper-based catalysis, Catalysts, , DOI:10.3390/catal9030214. Cite
1
J. Iwanejko, A. Brol, B. Szyja, M. Daszkiewicz, E. Wojaczyńska and T. K. Olszewski, Hydrophosphonylation of chiral hexahydroquinoxalin-2(1H)-one derivatives as an effective route to new bicyclic compounds: Aminophosphonates, enamines and imines, Tetrahedron, 2019, 75, 1431–1439. Cite
1
A. Stanovych, M. Balloy, T. K. Olszewski, E. Petit and C. Grison, Depollution of mining effluents: innovative mobilization of plant resources, Environmental Science and Pollution Research, 2019, 26, 19327–19334. Cite
1
C. De Laet, T. K. Olszewski and C. Grison, Melliferous potential of Mentha aquatica, Journal of Apicultural Research, 2019, 58, 714–719. Cite
1
E. Żymańczyk-Duda, N. Dunal, M. Brzezińska-Rodak, A. Osiewała, T. K. Olszewski, M. Klimek-Ochab and M. A. Serafin-Lewańczuk, First biological conversion of chiral heterophosphonate derivative - scaling and paths of conversion discussion /, Bioorganic Chemistry., , DOI:10.1016/j.bioorg.2019.01.047. Cite
1
J. Zaklika, L. Komorowski and P. Ordon, Evolution of the atomic valence observed by the reaction fragility spectra on the reaction path, Journal of molecular modeling, 2019, 25, 134. Cite
1
J. Zaklika, L. Komorowski and P. Ordon, Bond Fragility Spectra for the Double Proton-Transfer Reaction in the Formic Acid-Type Dimers, Journal of Physical Chemistry A, 2019, 123, 4274–4283. Cite
1
Ż. A. Ignatiuk, M. J. Janicki, R. W. Góra, K. Konieczny and R. Kowalczyk, Applications of Thermal Activation, Ball-milling and Aqueous Medium in Stereoselective Michael Addition of Nitromethane to Enynones Catalyzed by Chiral Squaramides, Adv. Synth. Catal., 2019, 361, 1108–1116. Cite
415588
1
royal-society-of-chemistry-with-titles
50
date
desc
year
1
title
934
https://huckel.pl/wp-content/plugins/zotpress/
%7B%22status%22%3A%22success%22%2C%22updateneeded%22%3Afalse%2C%22instance%22%3Afalse%2C%22meta%22%3A%7B%22request_last%22%3A750%2C%22request_next%22%3A50%2C%22used_cache%22%3Atrue%7D%2C%22data%22%3A%5B%7B%22key%22%3A%22GKBP6E9S%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Loboda%20et%20al.%22%2C%22parsedDate%22%3A%222023%22%2C%22numChildren%22%3A0%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EO.%20Loboda%2C%20P.%20Strizhak%2C%20R.%20W.%20G%5Cu00f3ra%20and%20C.%20Cervinka%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fwww.frontiersin.org%5C%2Farticles%5C%2F10.3389%5C%2Ffchem.2023.1165201%27%3EEditorial%3A%20Fragment-based%20electronic%20structure%20methods%20for%20solids%3C%5C%2Fa%3E%2C%20%3Ci%3EFrontiers%20in%20Chemistry%3C%5C%2Fi%3E.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DGKBP6E9S%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Editorial%3A%20Fragment-based%20electronic%20structure%20methods%20for%20solids%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Oleksandr%22%2C%22lastName%22%3A%22Loboda%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Peter%22%2C%22lastName%22%3A%22Strizhak%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Robert%20W.%22%2C%22lastName%22%3A%22G%5Cu00f3ra%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Ctirad%22%2C%22lastName%22%3A%22Cervinka%22%7D%5D%2C%22abstractNote%22%3A%22%22%2C%22date%22%3A%222023%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%22%22%2C%22ISSN%22%3A%222296-2646%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fwww.frontiersin.org%5C%2Farticles%5C%2F10.3389%5C%2Ffchem.2023.1165201%22%2C%22collections%22%3A%5B%22K3KTV3GZ%22%5D%2C%22dateModified%22%3A%222023-08-29T13%3A51%3A23Z%22%7D%7D%2C%7B%22key%22%3A%22AICPU327%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Ma%5Cu0142a%20et%20al.%22%2C%22parsedDate%22%3A%222023%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3E%5Cu017b.%20A.%20Ma%5Cu0142a%2C%20M.%20J.%20Janicki%2C%20R.%20W.%20G%5Cu00f3ra%2C%20K.%20A.%20Konieczny%20and%20R.%20Kowalczyk%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fonlinelibrary.wiley.com%5C%2Fdoi%5C%2Fabs%5C%2F10.1002%5C%2Fadsc.202300636%27%3EMechanochemical%20Assisted%20Chemoselective%20and%20Stereoselective%20Hydrogen-Bonding%20Catalyzed%20Addition%20of%20Dithiomalonates%20to%20Enones%3C%5C%2Fa%3E%2C%20%3Ci%3EAdvanced%20Synthesis%20%26%20Catalysis%3C%5C%2Fi%3E%2C%20%2C%20DOI%3A10.1002%5C%2Fadsc.202300636.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DAICPU327%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Mechanochemical%20Assisted%20Chemoselective%20and%20Stereoselective%20Hydrogen-Bonding%20Catalyzed%20Addition%20of%20Dithiomalonates%20to%20Enones%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22%5Cu017baneta%20A.%22%2C%22lastName%22%3A%22Ma%5Cu0142a%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Miko%5Cu0142aj%20J.%22%2C%22lastName%22%3A%22Janicki%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Robert%20W.%22%2C%22lastName%22%3A%22G%5Cu00f3ra%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Krzysztof%20A.%22%2C%22lastName%22%3A%22Konieczny%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Rafa%5Cu0142%22%2C%22lastName%22%3A%22Kowalczyk%22%7D%5D%2C%22abstractNote%22%3A%22Dithiomalonates%20proved%20to%20be%20active%20nucleophiles%20in%20the%20stereoselective%20additions%20to%20chalcones%2C%20dienones%2C%20and%20en-ynones%20affording%20the%20desired%20Michael%20adducts%20with%20moderate%20to%20good%20yield%20and%20enantioselectivities%20up%20to%2098%25.%20In%20contrast%2C%20the%20analogous%20dibenzyl%20malonate%20remained%20inactive.%20Bifunctional%20Cinchona%20squaramides%20secured%20the%20effective%20chirality%20transfer%20and%20the%20selectivity%20towards%20Michael%20adducts%20of%20various%20bisthiomalonates%20following%20the%20soft%20enolization%20approach.%20The%20thioester%27s%20nature%20impacted%20the%20reactivity%20and%20stability%20of%20the%20reactants%20or%20products.%20The%20reactions%20performed%20in%20solution%20led%20to%20the%20product%2C%20but%20it%20required%20prolonged%20time%20along%20with%20byproducts%20formation%20such%20as%20sulfa-Michael%20adducts%2C%20thus%20limiting%20the%20applicability%20of%20more%20reactive%20dithioesters.%20On%20the%20contrary%2C%20the%20reactions%20performed%20under%20solvent-free%2C%20ball%20milling%20conditions%20furnished%20adducts%20in%20substantially%20less%20time%2C%20with%20negligible%20or%20no%20byproduct%20generation.%20Therefore%2C%20the%20mechanochemical%20approach%20revealed%20to%20be%20an%20effective%20tool%20for%20supporting%20the%20hardly%20effective%20reactions%20under%20standard%20solution%20conditions.%20The%20conducted%20comprehensive%20KS-DFT%20studies%20are%20in%20line%20with%20the%20experimental%20observations%20shedding%20more%20light%20on%20the%20intricate%20active%20nucleophile%20formation%20at%20a%20molecular%20level%20and%20different%20chemical%20reaction%20pathways%2C%20as%20well%20as%20indicating%20the%20crucial%20transitions%20state%20governing%20the%20observed%20stereoselectivities.%22%2C%22date%22%3A%222023%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1002%5C%2Fadsc.202300636%22%2C%22ISSN%22%3A%221615-4169%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fonlinelibrary.wiley.com%5C%2Fdoi%5C%2Fabs%5C%2F10.1002%5C%2Fadsc.202300636%22%2C%22collections%22%3A%5B%22K3KTV3GZ%22%5D%2C%22dateModified%22%3A%222023-08-29T13%3A51%3A00Z%22%7D%7D%2C%7B%22key%22%3A%22MBCBGB25%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Janicki%20et%20al.%22%2C%22parsedDate%22%3A%222022-04-06%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EM.%20J.%20Janicki%2C%20R.%20Szabla%2C%20J.%20%5Cu0160poner%20and%20R.%20W.%20G%5Cu00f3ra%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fpubs.rsc.org%5C%2Fen%5C%2Fcontent%5C%2Farticlelanding%5C%2F2022%5C%2Fcp%5C%2Fd2cp00801g%27%3EPhotoinduced%20water%5Cu2013chromophore%20electron%20transfer%20causes%20formation%20of%20guanosine%20photodamage%3C%5C%2Fa%3E%2C%20%3Ci%3EPhys.%20Chem.%20Chem.%20Phys.%3C%5C%2Fi%3E%2C%202022%2C%20%3Cb%3E24%3C%5C%2Fb%3E%2C%208217%5Cu20138224.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DMBCBGB25%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Photoinduced%20water%5Cu2013chromophore%20electron%20transfer%20causes%20formation%20of%20guanosine%20photodamage%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Miko%5Cu0142aj%20J.%22%2C%22lastName%22%3A%22Janicki%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Rafa%5Cu0142%22%2C%22lastName%22%3A%22Szabla%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Ji%5Cu0159%5Cu00ed%22%2C%22lastName%22%3A%22%5Cu0160poner%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Robert%20W.%22%2C%22lastName%22%3A%22G%5Cu00f3ra%22%7D%5D%2C%22abstractNote%22%3A%22UV-induced%20photolysis%20of%20aqueous%20guanine%20nucleosides%20produces%208-oxo-guanine%20and%20Fapy-guanine%2C%20which%20can%20induce%20various%20types%20of%20cellular%20malfunction.%20The%20mechanistic%20rationale%20underlying%20photodestructive%20processes%20of%20guanine%20nucleosides%20is%20still%20largely%20obscure.%20Here%2C%20we%20employ%20accurate%20quantum%20chemical%20calculations%20and%20demonstrate%20that%20an%20excited-state%20non-bonding%20interaction%20of%20guanosine%20and%20a%20water%20molecule%20facilitates%20the%20electron-driven%20proton%20transfer%20process%20from%20water%20to%20the%20chromophore%20fragment.%20This%20subsequently%20allows%20for%20the%20formation%20of%20a%20crucial%20intermediate%2C%20namely%20guanosine%20photohydrate.%20Further%20%28photo%29chemical%20reactions%20of%20this%20intermediate%20lead%20to%20the%20known%20products%20of%20guanine%20photodamage.%22%2C%22date%22%3A%222022-04-06%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1039%5C%2FD2CP00801G%22%2C%22ISSN%22%3A%221463-9084%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fpubs.rsc.org%5C%2Fen%5C%2Fcontent%5C%2Farticlelanding%5C%2F2022%5C%2Fcp%5C%2Fd2cp00801g%22%2C%22collections%22%3A%5B%22K3KTV3GZ%22%5D%2C%22dateModified%22%3A%222022-12-26T18%3A29%3A33Z%22%7D%7D%2C%7B%22key%22%3A%22KE4R5XT4%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Janicki%20et%20al.%22%2C%22parsedDate%22%3A%222021-07-14%22%2C%22numChildren%22%3A0%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EM.%20J.%20Janicki%2C%20C.%20L.%20Kufner%2C%20Z.%20R.%20Todd%2C%20S.%20C.%20Kim%2C%20D.%20K.%20O%27Flaherty%2C%20J.%20W.%20Szostak%2C%20J.%20%5Cu0160poner%2C%20R.%20W.%20G%5Cu00f3ra%2C%20D.%20D.%20Sasselov%20and%20R.%20Szabla%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facs.jpclett.1c01384%27%3ERibose%20Alters%20the%20Photochemical%20Properties%20of%20the%20Nucleobase%20in%20Thionated%20Nucleosides%3C%5C%2Fa%3E%2C%20%3Ci%3EJ.%20Phys.%20Chem.%20Lett.%3C%5C%2Fi%3E%2C%202021%2C%206707%5Cu20136713.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DKE4R5XT4%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Ribose%20Alters%20the%20Photochemical%20Properties%20of%20the%20Nucleobase%20in%20Thionated%20Nucleosides%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Miko%5Cu0142aj%20J.%22%2C%22lastName%22%3A%22Janicki%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Corinna%20L.%22%2C%22lastName%22%3A%22Kufner%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Zoe%20R.%22%2C%22lastName%22%3A%22Todd%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Seohyun%20C.%22%2C%22lastName%22%3A%22Kim%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Derek%20K.%22%2C%22lastName%22%3A%22O%5Cu2019Flaherty%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Jack%20W.%22%2C%22lastName%22%3A%22Szostak%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Ji%5Cu0159%5Cu00ed%22%2C%22lastName%22%3A%22%5Cu0160poner%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Robert%20W.%22%2C%22lastName%22%3A%22G%5Cu00f3ra%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Dimitar%20D.%22%2C%22lastName%22%3A%22Sasselov%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Rafa%5Cu0142%22%2C%22lastName%22%3A%22Szabla%22%7D%5D%2C%22abstractNote%22%3A%22Substitution%20of%20exocyclic%20oxygen%20with%20sulfur%20was%20shown%20to%20substantially%20influence%20the%20properties%20of%20RNA%5C%2FDNA%20bases%2C%20which%20are%20crucial%20for%20prebiotic%20chemistry%20and%20photodynamic%20therapies.%20Upon%20UV%20irradiation%2C%20thionucleobases%20were%20shown%20to%20efficiently%20populate%20triplet%20excited%20states%20and%20can%20be%20involved%20in%20characteristic%20photochemistry%20or%20generation%20of%20singlet%20oxygen.%20Here%2C%20we%20show%20that%20the%20photochemistry%20of%20a%20thionucleobase%20can%20be%20considerably%20modified%20in%20a%20nucleoside%2C%20that%20is%2C%20by%20the%20presence%20of%20ribose.%20Our%20transient%20absorption%20spectroscopy%20experiments%20demonstrate%20that%20thiocytosine%20exhibits%205%20times%20longer%20excited-state%20lifetime%20and%20different%20excited-state%20absorption%20features%20than%20thiocytidine.%20On%20the%20basis%20of%20accurate%20quantum%20chemical%20simulations%2C%20we%20assign%20these%20differences%20to%20the%20dominant%20population%20of%20a%20shorter-lived%20triplet%20n%5Cu03c0%2A%20state%20in%20the%20nucleoside%20and%20longer-lived%20triplet%20%5Cu03c0%5Cu03c0%2A%20states%20in%20the%20nucleobase.%20This%20explains%20the%20distinctive%20photoanomerziation%20of%20thiocytidine%20and%20indicates%20that%20the%20nucleoside%20will%20be%20a%20less%20efficient%20phototherapeutic%20agent%20with%20regard%20to%20singlet%20oxygen%20generation.%22%2C%22date%22%3A%222021-07-14%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1021%5C%2Facs.jpclett.1c01384%22%2C%22ISSN%22%3A%22%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facs.jpclett.1c01384%22%2C%22collections%22%3A%5B%22EF638XSV%22%2C%22K3KTV3GZ%22%5D%2C%22dateModified%22%3A%222021-07-20T17%3A03%3A59Z%22%7D%7D%2C%7B%22key%22%3A%227469HRAL%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22B%5Cu0142asiak%20et%20al.%22%2C%22parsedDate%22%3A%222021-01-28%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EB.%20B%5Cu0142asiak%2C%20W.%20Bartkowiak%20and%20R.%20W.%20G%5Cu00f3ra%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fpubs.rsc.org%5C%2Fen%5C%2Fcontent%5C%2Farticlelanding%5C%2F2021%5C%2Fcp%5C%2Fd0cp04636a%27%3EAn%20effective%20potential%20for%20Frenkel%20excitons%3C%5C%2Fa%3E%2C%20%3Ci%3EPhys.%20Chem.%20Chem.%20Phys.%3C%5C%2Fi%3E%2C%202021%2C%20%3Cb%3E23%3C%5C%2Fb%3E%2C%201923%5Cu20131935.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3D7469HRAL%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22An%20effective%20potential%20for%20Frenkel%20excitons%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Bartosz%22%2C%22lastName%22%3A%22B%5Cu0142asiak%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Wojciech%22%2C%22lastName%22%3A%22Bartkowiak%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Robert%20W.%22%2C%22lastName%22%3A%22G%5Cu00f3ra%22%7D%5D%2C%22abstractNote%22%3A%22Excitation%20energy%20transfer%20%28EET%29%20is%20a%20ubiquitous%20process%20in%20life%20and%20materials%20sciences.%20Here%2C%20a%20new%20and%20computationally%20efficient%20method%20of%20evaluating%20the%20electronic%20EET%20couplings%20between%20interacting%20chromophores%20is%20introduced%20that%20is%20valid%20in%20a%20wide%20range%20of%20intermolecular%20distances.%20The%20proposed%20approach%20is%20based%20on%20the%20effective%20elimination%20of%20electron%20repulsion%20integrals%20from%20the%20excitonic%20Hamiltonian%20matrix%20elements%20via%20the%20density-fitting%20approach%20and%20distributed%20multipole%20approximation.%20The%20excitonic%20Hamiltonian%20represented%20in%20a%20basis%20including%20charge%20transfer%20%28CT%29%20states%20is%20re-cast%20in%20terms%20of%20the%20effective%20one-electron%20potential%20functions%20%28EOPs%29%20and%20adapted%20into%20the%20effective%20fragment%20parameter%20%28EFP%29%20framework.%20Calculations%20for%20model%20systems%20indicate%20that%20the%20speedup%20of%20at%20least%20three%20orders%20of%20magnitude%2C%20as%20compared%20to%20the%20state-of-the-art%20methods%2C%20can%20be%20achieved%20while%20maintaining%20the%20accuracy%20of%20the%20EET%20couplings%20even%20at%20short%20intermolecular%20distances.%22%2C%22date%22%3A%222021-01-28%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1039%5C%2FD0CP04636A%22%2C%22ISSN%22%3A%221463-9084%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fpubs.rsc.org%5C%2Fen%5C%2Fcontent%5C%2Farticlelanding%5C%2F2021%5C%2Fcp%5C%2Fd0cp04636a%22%2C%22collections%22%3A%5B%22K3KTV3GZ%22%2C%22V54TBHKX%22%5D%2C%22dateModified%22%3A%222021-04-03T10%3A03%3A36Z%22%7D%7D%2C%7B%22key%22%3A%22HCPQN2PP%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Jankowska%20and%20G%5Cu00f3ra%22%2C%22parsedDate%22%3A%222021-01-21%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EJ.%20Jankowska%20and%20R.%20W.%20G%5Cu00f3ra%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fpubs.rsc.org%5C%2Fen%5C%2Fcontent%5C%2Farticlelanding%5C%2F2021%5C%2Fcp%5C%2Fd0cp05271j%27%3EUltrafast%20nonradiative%20deactivation%20of%20photoexcited%208-oxo-hypoxanthine%3A%20a%20nonadiabatic%20molecular%20dynamics%20study%3C%5C%2Fa%3E%2C%20%3Ci%3EPhys.%20Chem.%20Chem.%20Phys.%3C%5C%2Fi%3E%2C%202021%2C%20%3Cb%3E23%3C%5C%2Fb%3E%2C%201234%5Cu20131241.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DHCPQN2PP%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Ultrafast%20nonradiative%20deactivation%20of%20photoexcited%208-oxo-hypoxanthine%3A%20a%20nonadiabatic%20molecular%20dynamics%20study%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Joanna%22%2C%22lastName%22%3A%22Jankowska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Robert%20W.%22%2C%22lastName%22%3A%22G%5Cu00f3ra%22%7D%5D%2C%22abstractNote%22%3A%22In%20the%20scientific%20endeavor%20to%20understand%20the%20chemical%20origins%20of%20life%2C%20the%20photochemistry%20of%20the%20smallest%20life%20building%20blocks%2C%20nucleobases%2C%20has%20been%20a%20constant%20object%20of%20focus%20and%20intense%20research.%20Here%2C%20we%20report%20the%20results%20of%20the%20first%20theoretical%20study%20on%20the%20photo-properties%20of%20an%208-oxo-hypoxanthine%20molecule%2C%20the%20chromophore%20of%208-oxo-inosine%2C%20which%20is%20relevant%20to%20the%20recently%20proposed%2C%20prebiotically%20plausible%20synthetic%20routes%20to%20the%20formation%20of%20purine-%20and%20pyrimidine-nucleotides.%20With%20ab%20initio%20and%20semi-empirical%20OM2%5C%2FMRCI%20quantum-chemistry%20calculations%2C%20we%20predict%20a%20strong%20photostability%20of%20the%208-oxo-hypoxanthine%20system%20and%20see%20the%20origin%20of%20this%20effect%20in%20ultrafast%20nonradiative%20relaxation%20through%20puckering%20of%20the%206-membered%20heterocyclic%20ring.%22%2C%22date%22%3A%222021-01-21%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1039%5C%2FD0CP05271J%22%2C%22ISSN%22%3A%221463-9084%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fpubs.rsc.org%5C%2Fen%5C%2Fcontent%5C%2Farticlelanding%5C%2F2021%5C%2Fcp%5C%2Fd0cp05271j%22%2C%22collections%22%3A%5B%22K3KTV3GZ%22%5D%2C%22dateModified%22%3A%222021-04-03T10%3A03%3A33Z%22%7D%7D%2C%7B%22key%22%3A%229ST83QD2%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22B%5Cu0142asiak%20et%20al.%22%2C%22parsedDate%22%3A%222021%22%2C%22numChildren%22%3A8%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EB.%20B%5Cu0142asiak%2C%20J.%20D.%20Bednarska%2C%20M.%20Cho%5Cu0142uj%2C%20R.%20W.%20G%5Cu00f3ra%20and%20W.%20Bartkowiak%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fonlinelibrary.wiley.com%5C%2Fdoi%5C%2Fabs%5C%2F10.1002%5C%2Fjcc.26462%27%3EAb%20initio%20effective%20one-electron%20potential%20operators%3A%20Applications%20for%20charge-transfer%20energy%20in%20effective%20fragment%20potentials%3C%5C%2Fa%3E%2C%20%3Ci%3EJ.%20Comput.%20Chem.%3C%5C%2Fi%3E%2C%202021%2C%20%3Cb%3E42%3C%5C%2Fb%3E%2C%20398%5Cu2013411.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3D9ST83QD2%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Ab%20initio%20effective%20one-electron%20potential%20operators%3A%20Applications%20for%20charge-transfer%20energy%20in%20effective%20fragment%20potentials%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Bartosz%22%2C%22lastName%22%3A%22B%5Cu0142asiak%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Joanna%20D.%22%2C%22lastName%22%3A%22Bednarska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Marta%22%2C%22lastName%22%3A%22Cho%5Cu0142uj%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Robert%20W.%22%2C%22lastName%22%3A%22G%5Cu00f3ra%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Wojciech%22%2C%22lastName%22%3A%22Bartkowiak%22%7D%5D%2C%22abstractNote%22%3A%22The%20concept%20of%20effective%20one-electron%20potentials%20%28EOPs%29%20has%20proven%20to%20be%20extremely%20useful%20in%20efficient%20description%20of%20electronic%20structure%20of%20chemical%20systems%2C%20especially%20extended%20molecular%20aggregates%20such%20as%20interacting%20molecules%20in%20condensed%20phases.%20Here%2C%20a%20general%20method%20for%20EOP-based%20elimination%20of%20electron%20repulsion%20integrals%20is%20presented%2C%20that%20is%20tuned%20toward%20the%20fragment-based%20calculation%20methodologies%20such%20as%20the%20second%20generation%20of%20the%20effective%20fragment%20potentials%20%28EFP2%29%20method.%20Two%20general%20types%20of%20the%20EOP%20operator%20matrix%20elements%20are%20distinguished%20and%20treated%20either%20via%20the%20distributed%20multipole%20expansion%20or%20the%20extended%20density%20fitting%20%28DF%29%20schemes%20developed%20in%20this%20work.%20The%20EOP%20technique%20is%20then%20applied%20to%20reduce%20the%20high%20computational%20costs%20of%20the%20effective%20fragment%20charge-transfer%20%28CT%29%20terms%20being%20the%20bottleneck%20of%20EFP2%20potentials.%20The%20alternative%20EOP-based%20CT%20energy%20model%20is%20proposed%2C%20derived%20within%20the%20framework%20of%20intermolecular%20perturbation%20theory%20with%20Hartree%5Cu2013Fock%20noninteracting%20reference%20wavefunctions%2C%20compatible%20with%20the%20original%20EFP2%20formulation.%20It%20is%20found%20that%20the%20computational%20cost%20of%20the%20EFP2%20total%20interaction%20energy%20calculation%20can%20be%20reduced%20by%20up%20to%2038%20times%20when%20using%20the%20EOP-based%20formulation%20of%20CT%20energy%2C%20as%20compared%20to%20the%20original%20EFP2%20scheme%2C%20without%20compromising%20the%20accuracy%20for%20a%20wide%20range%20of%20weakly%20interacting%20neutral%20and%20ionic%20molecular%20fragments.%20The%20proposed%20model%20can%20thus%20be%20used%20routinely%20within%20the%20EFP2%20framework.%22%2C%22date%22%3A%222021%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%22https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1002%5C%2Fjcc.26462%22%2C%22ISSN%22%3A%221096-987X%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fonlinelibrary.wiley.com%5C%2Fdoi%5C%2Fabs%5C%2F10.1002%5C%2Fjcc.26462%22%2C%22collections%22%3A%5B%22K3KTV3GZ%22%2C%22G7JK5GGK%22%5D%2C%22dateModified%22%3A%222021-04-03T10%3A09%3A55Z%22%7D%7D%2C%7B%22key%22%3A%224TXKN5XD%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Ma%5Cu0142a%20et%20al.%22%2C%22parsedDate%22%3A%222021%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3E%5Cu017b.%20A.%20Ma%5Cu0142a%2C%20M.%20J.%20Janicki%2C%20N.%20H.%20Nied%5Cu017awiecka%2C%20R.%20W.%20G%5Cu00f3ra%2C%20K.%20A.%20Konieczny%20and%20R.%20Kowalczyk%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fchemistry-europe.onlinelibrary.wiley.com%5C%2Fdoi%5C%2Fabs%5C%2F10.1002%5C%2Fcctc.202001583%27%3EStereoselectivity%20Enhancement%20During%20the%20Generation%20of%20Three%20Contiguous%20Stereocenters%20in%20Tetrahydrothiophenes%3C%5C%2Fa%3E%2C%20%3Ci%3EChemCatChem%3C%5C%2Fi%3E%2C%202021%2C%20%3Cb%3E13%3C%5C%2Fb%3E%2C%20574%5Cu2013580.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3D4TXKN5XD%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Stereoselectivity%20Enhancement%20During%20the%20Generation%20of%20Three%20Contiguous%20Stereocenters%20in%20Tetrahydrothiophenes%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22%5Cu017baneta%20A.%22%2C%22lastName%22%3A%22Ma%5Cu0142a%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Miko%5Cu0142aj%20J.%22%2C%22lastName%22%3A%22Janicki%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Natalia%20H.%22%2C%22lastName%22%3A%22Nied%5Cu017awiecka%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Robert%20W.%22%2C%22lastName%22%3A%22G%5Cu00f3ra%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Krzysztof%20A.%22%2C%22lastName%22%3A%22Konieczny%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Rafa%5Cu0142%22%2C%22lastName%22%3A%22Kowalczyk%22%7D%5D%2C%22abstractNote%22%3A%22Application%20of%20carefully%20designed%20Cinchona%20alkaloid%20based%20squaramides%20resulted%20in%20the%20formation%20of%20three%20contiguous%20stereocenters%20in%20enantio-%20and%20diastereoselective%20Sulfa-Michael%5C%2Fintramolecular%20aldol%20reactions%20cascade.%20Increase%20of%20the%20temperature%20to%20333%20K%20in%20reaction%20of%20mercaptoacetic%20aldehyde%20and%20various%20en-ynones%20allowed%20the%20rise%20of%20the%20reaction%20rate%20while%20not%20affecting%20the%20enantioselectivity%20nor%20diastereoselectivity.%20Stereoselectivity%20was%20dependent%20on%20the%20structure%20of%20the%20hydrogen-bonding%20unit%2C%20thus%20revealing%20the%20importance%20of%20weak%20interactions%20in%20the%20formation%20of%20the%20multifunctional%20tetrahydrothiophenes.%20Kohn-Sham%20Density%20Functional%20Theory%20results%20suggest%20that%20a%20perfect%20fit%20of%20the%20electrophile%20and%20squaramide%20via%20tailored%20%28%2B%29N%5Cu2212H%20hydrogen%20bonding%20and%20%5Cu03c0%5Cu2013%5Cu03c0%20stacking%20interactions%20were%20the%20main%20factors%20of%20the%20chirality%20transfer.%22%2C%22date%22%3A%222021%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%22https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1002%5C%2Fcctc.202001583%22%2C%22ISSN%22%3A%221867-3899%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fchemistry-europe.onlinelibrary.wiley.com%5C%2Fdoi%5C%2Fabs%5C%2F10.1002%5C%2Fcctc.202001583%22%2C%22collections%22%3A%5B%22K3KTV3GZ%22%5D%2C%22dateModified%22%3A%222021-04-03T10%3A03%3A33Z%22%7D%7D%2C%7B%22key%22%3A%2254HCPWFJ%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Cho%5Cu0142uj%20et%20al.%22%2C%22parsedDate%22%3A%222021%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EM.%20Cho%5Cu0142uj%2C%20B.%20B%5Cu0142asiak%20and%20W.%20Bartkowiak%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fonlinelibrary.wiley.com%5C%2Fdoi%5C%2Fabs%5C%2F10.1002%5C%2Fqua.26544%27%3EPartitioning%20of%20the%20interaction-induced%20polarizability%20of%20molecules%20in%20helium%20environments%3C%5C%2Fa%3E%2C%20%3Ci%3EInternational%20Journal%20of%20Quantum%20Chemistry%3C%5C%2Fi%3E%2C%202021%2C%20%3Cb%3En%5C%2Fa%3C%5C%2Fb%3E%2C%20e26544.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3D54HCPWFJ%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Partitioning%20of%20the%20interaction-induced%20polarizability%20of%20molecules%20in%20helium%20environments%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Marta%22%2C%22lastName%22%3A%22Cho%5Cu0142uj%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Bartosz%22%2C%22lastName%22%3A%22B%5Cu0142asiak%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Wojciech%22%2C%22lastName%22%3A%22Bartkowiak%22%7D%5D%2C%22abstractNote%22%3A%22In%20this%20study%2C%20we%20analyze%20the%20correspondence%20between%20the%20spatial%20confinement%20represented%20by%20the%20real%20chemical%20environment%20in%20the%20form%20of%20helium%20clusters%20and%20by%20the%20repulsive%20analytical%20potential.%20In%20doing%20so%2C%20we%20perform%20a%20decomposition%20of%20the%20interaction-induced%20polarizability%20of%20the%20LiH%20and%20HF%20molecules%20in%20various%20helium%20environments%20into%20electrostatic%2C%20exchange%2C%20repulsion%20and%20polarization%20contributions.%20The%20obtained%20results%20show%20that%20in%20the%20low%20and%20medium%20orbital%20compression%20region%20the%20behavior%20of%20the%20repulsion%20contribution%20to%20the%20interaction-induced%20polarizability%20of%20LiH%20and%20HF%20embedded%20in%20helium%20environments%20is%20in%20line%20with%20the%20behavior%20of%20the%20total%20polarizability%20of%20molecules%20entrapped%20within%20the%20repulsive%20confining%20potential.%22%2C%22date%22%3A%222021%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%22https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1002%5C%2Fqua.26544%22%2C%22ISSN%22%3A%221097-461X%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fonlinelibrary.wiley.com%5C%2Fdoi%5C%2Fabs%5C%2F10.1002%5C%2Fqua.26544%22%2C%22collections%22%3A%5B%22G7JK5GGK%22%5D%2C%22dateModified%22%3A%222021-01-29T08%3A14%3A23Z%22%7D%7D%2C%7B%22key%22%3A%22INMZH39M%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Murugan%20and%20Zale%5Cu015bny%22%2C%22parsedDate%22%3A%222020-08-24%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EN.%20A.%20Murugan%20and%20R.%20Zale%5Cu015bny%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fpubs.acs.org%5C%2Fdoi%5C%2F10.1021%5C%2Facs.jcim.0c00423%27%3EMultiscale%20Modeling%20of%20Two-Photon%20Probes%20for%20Parkinson%27s%20Diagnostics%20Based%20on%20Monoamine%20Oxidase%20B%20Biomarker%3C%5C%2Fa%3E%2C%20%3Ci%3EJ.%20Chem.%20Inf.%20Model.%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E60%3C%5C%2Fb%3E%2C%203854%5Cu20133863.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DINMZH39M%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Multiscale%20Modeling%20of%20Two-Photon%20Probes%20for%20Parkinson%27s%20Diagnostics%20Based%20on%20Monoamine%20Oxidase%20B%20Biomarker%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22N.%20Arul%22%2C%22lastName%22%3A%22Murugan%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Robert%22%2C%22lastName%22%3A%22Zale%5Cu015bny%22%7D%5D%2C%22abstractNote%22%3A%22Monoamine%20oxidase%20B%20%28MAO-B%29%20is%20a%20potential%20biomarker%20for%20Parkinson%5Cu2019s%20disease%20%28PD%29%2C%20a%20neurodegenerative%20disease%20associated%20with%20the%20loss%20of%20motor%20activities%20in%20human%20subjects.%20The%20disease%20state%20is%20associated%20with%20dopamine%20deprival%2C%20and%20so%20the%20inhibitors%20of%20MAO-B%20can%20serve%20as%20therapeutic%20drugs%20for%20PD.%20Since%20the%20expression%20level%20of%20MAO-B%20directly%20correlates%20to%20the%20disease%20progress%2C%20the%20distribution%20and%20population%20of%20this%20enzyme%20can%20be%20employed%20to%20monitor%20disease%20development.%20One%20of%20the%20approaches%20available%20for%20estimating%20the%20population%20is%20two-photon%20imaging.%20The%20ligands%20used%20for%20two-photon%20imaging%20should%20have%20high%20binding%20a%5Cufb03nity%20and%20binding%20speci%5Cufb01city%20toward%20MAO-B%20along%20with%20signi%5Cufb01cant%20two-photon%20absorption%20cross%20sections%20when%20they%20are%20bound%20to%20the%20target.%20In%20this%20article%2C%20we%20study%20using%20a%20multiscale%20modeling%20approach%2C%20the%20binding%20a%5Cufb03nity%20and%20spectroscopic%20properties%20%28one-%20and%20two-photon%20absorption%29%20of%20three%20%28Flu1%2C%20Flu2%2C%20Flu3%29%20of%20the%20currently%20available%20probes%20for%20monitoring%20the%20MAO-B%20level.%20We%20report%20that%20the%20binding%20a%5Cufb03nity%20of%20the%20probes%20can%20be%20explained%20using%20the%20molecular%20size%20and%20binding%20cavity%20volume.%20The%20experimentally%20determined%20one-photon%20absorption%20spectrum%20is%20well%20reproduced%20by%20the%20employed%20QM%5C%2F%20MM%20approaches%2C%20and%20the%20most%20accurate%20spectral%20shifts%2C%20on%20passing%20from%20one%20probe%20to%20another%2C%20are%20obtained%20at%20the%20coupled-cluster%20%28CC2%29%20level%20of%20theory.%20An%20important%20conclusion%20from%20this%20study%20is%20also%20the%20demonstration%20that%20intrinsic%20molecular%20two-photon%20absorption%20strengths%20%28%5Cu03b42PA%29%20increase%20in%20the%20order%20%5Cu03b42PA%20%28Flu1%29%20%3E%20%5Cu03b42PA%20%28Flu2%29%20%3E%20%5Cu03b42PA%20%28Flu3%29.%20This%20is%20in%20contrast%20with%20experimental%20data%2C%20which%20predict%20similar%20values%20of%20two-photon%20absorption%20cross%20sections%20for%20Flu1%20and%20Flu3.%20We%20demontrate%2C%20based%20on%20the%20results%20of%20electronic-structure%20calculations%20for%20Flu1%20that%20this%20discrepancy%20cannot%20be%20explained%20by%20an%20explicit%20account%20for%20neighboring%20residues%20%28which%20could%20lead%20to%20charge%20transfer%20between%20a%20probe%20and%20neighboring%20aromatic%20amino%20acids%20thus%20boosting%20%5Cu03b42PA%29.%20In%20summary%2C%20we%20show%20that%20the%20employed%20multiscale%20approach%20not%20only%20can%20optimize%20two-photon%20absorption%20properties%20and%20verify%20binding%20a%5Cufb03nity%2C%20but%20it%20can%20also%20help%20in%20detailed%20analyses%20of%20experimental%20data.%22%2C%22date%22%3A%222020-08-24%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1021%5C%2Facs.jcim.0c00423%22%2C%22ISSN%22%3A%221549-9596%2C%201549-960X%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fpubs.acs.org%5C%2Fdoi%5C%2F10.1021%5C%2Facs.jcim.0c00423%22%2C%22collections%22%3A%5B%22CL9JDA29%22%2C%22EWMA97QD%22%5D%2C%22dateModified%22%3A%222020-09-30T19%3A20%3A49Z%22%7D%7D%2C%7B%22key%22%3A%22B2W8UZ96%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Baiz%20et%20al.%22%2C%22parsedDate%22%3A%222020-08-12%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EC.%20R.%20Baiz%2C%20B.%20B%5Cu0142asiak%2C%20J.%20Bredenbeck%2C%20M.%20Cho%2C%20J.-H.%20Choi%2C%20S.%20A.%20Corcelli%2C%20A.%20G.%20Dijkstra%2C%20C.-J.%20Feng%2C%20S.%20Garrett-Roe%2C%20N.-H.%20Ge%2C%20M.%20W.%20D.%20Hanson-Heine%2C%20J.%20D.%20Hirst%2C%20T.%20L.%20C.%20Jansen%2C%20K.%20Kwac%2C%20K.%20J.%20Kubarych%2C%20C.%20H.%20Londergan%2C%20H.%20Maekawa%2C%20M.%20Reppert%2C%20S.%20Saito%2C%20S.%20Roy%2C%20J.%20L.%20Skinner%2C%20G.%20Stock%2C%20J.%20E.%20Straub%2C%20M.%20C.%20Thielges%2C%20K.%20Tominaga%2C%20A.%20Tokmakoff%2C%20H.%20Torii%2C%20L.%20Wang%2C%20L.%20J.%20Webb%20and%20M.%20T.%20Zanni%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facs.chemrev.9b00813%27%3EVibrational%20Spectroscopic%20Map%2C%20Vibrational%20Spectroscopy%2C%20and%20Intermolecular%20Interaction%3C%5C%2Fa%3E%2C%20%3Ci%3EChem.%20Rev.%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E120%3C%5C%2Fb%3E%2C%207152%5Cu20137218.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DB2W8UZ96%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Vibrational%20Spectroscopic%20Map%2C%20Vibrational%20Spectroscopy%2C%20and%20Intermolecular%20Interaction%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Carlos%20R.%22%2C%22lastName%22%3A%22Baiz%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Bartosz%22%2C%22lastName%22%3A%22B%5Cu0142asiak%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Jens%22%2C%22lastName%22%3A%22Bredenbeck%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Minhaeng%22%2C%22lastName%22%3A%22Cho%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Jun-Ho%22%2C%22lastName%22%3A%22Choi%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Steven%20A.%22%2C%22lastName%22%3A%22Corcelli%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Arend%20G.%22%2C%22lastName%22%3A%22Dijkstra%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Chi-Jui%22%2C%22lastName%22%3A%22Feng%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Sean%22%2C%22lastName%22%3A%22Garrett-Roe%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Nien-Hui%22%2C%22lastName%22%3A%22Ge%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Magnus%20W.%20D.%22%2C%22lastName%22%3A%22Hanson-Heine%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Jonathan%20D.%22%2C%22lastName%22%3A%22Hirst%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Thomas%20L.%20C.%22%2C%22lastName%22%3A%22Jansen%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Kijeong%22%2C%22lastName%22%3A%22Kwac%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Kevin%20J.%22%2C%22lastName%22%3A%22Kubarych%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Casey%20H.%22%2C%22lastName%22%3A%22Londergan%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Hiroaki%22%2C%22lastName%22%3A%22Maekawa%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Mike%22%2C%22lastName%22%3A%22Reppert%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Shinji%22%2C%22lastName%22%3A%22Saito%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Santanu%22%2C%22lastName%22%3A%22Roy%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22James%20L.%22%2C%22lastName%22%3A%22Skinner%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Gerhard%22%2C%22lastName%22%3A%22Stock%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22John%20E.%22%2C%22lastName%22%3A%22Straub%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Megan%20C.%22%2C%22lastName%22%3A%22Thielges%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Keisuke%22%2C%22lastName%22%3A%22Tominaga%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Andrei%22%2C%22lastName%22%3A%22Tokmakoff%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Hajime%22%2C%22lastName%22%3A%22Torii%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Lu%22%2C%22lastName%22%3A%22Wang%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Lauren%20J.%22%2C%22lastName%22%3A%22Webb%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Martin%20T.%22%2C%22lastName%22%3A%22Zanni%22%7D%5D%2C%22abstractNote%22%3A%22Vibrational%20spectroscopy%20is%20an%20essential%20tool%20in%20chemical%20analyses%2C%20biological%20assays%2C%20and%20studies%20of%20functional%20materials.%20Over%20the%20past%20decade%2C%20various%20coherent%20nonlinear%20vibrational%20spectroscopic%20techniques%20have%20been%20developed%20and%20enabled%20researchers%20to%20study%20time-correlations%20of%20the%20fluctuating%20frequencies%20that%20are%20directly%20related%20to%20solute%5Cu2013solvent%20dynamics%2C%20dynamical%20changes%20in%20molecular%20conformations%20and%20local%20electrostatic%20environments%2C%20chemical%20and%20biochemical%20reactions%2C%20protein%20structural%20dynamics%20and%20functions%2C%20characteristic%20processes%20of%20functional%20materials%2C%20and%20so%20on.%20In%20order%20to%20gain%20incisive%20and%20quantitative%20information%20on%20the%20local%20electrostatic%20environment%2C%20molecular%20conformation%2C%20protein%20structure%20and%20interprotein%20contacts%2C%20ligand%20binding%20kinetics%2C%20and%20electric%20and%20optical%20properties%20of%20functional%20materials%2C%20a%20variety%20of%20vibrational%20probes%20have%20been%20developed%20and%20site-specifically%20incorporated%20into%20molecular%2C%20biological%2C%20and%20material%20systems%20for%20time-resolved%20vibrational%20spectroscopic%20investigation.%20However%2C%20still%2C%20an%20all-encompassing%20theory%20that%20describes%20the%20vibrational%20solvatochromism%2C%20electrochromism%2C%20and%20dynamic%20fluctuation%20of%20vibrational%20frequencies%20has%20not%20been%20completely%20established%20mainly%20due%20to%20the%20intrinsic%20complexity%20of%20intermolecular%20interactions%20in%20condensed%20phases.%20In%20particular%2C%20the%20amount%20of%20data%20obtained%20from%20the%20linear%20and%20nonlinear%20vibrational%20spectroscopic%20experiments%20has%20been%20rapidly%20increasing%2C%20but%20the%20lack%20of%20a%20quantitative%20method%20to%20interpret%20these%20measurements%20has%20been%20one%20major%20obstacle%20in%20broadening%20the%20applications%20of%20these%20methods.%20Among%20various%20theoretical%20models%2C%20one%20of%20the%20most%20successful%20approaches%20is%20a%20semiempirical%20model%20generally%20referred%20to%20as%20the%20vibrational%20spectroscopic%20map%20that%20is%20based%20on%20a%20rigorous%20theory%20of%20intermolecular%20interactions.%20Recently%2C%20genetic%20algorithm%2C%20neural%20network%2C%20and%20machine%20learning%20approaches%20have%20been%20applied%20to%20the%20development%20of%20vibrational%20solvatochromism%20theory.%20In%20this%20review%2C%20we%20provide%20comprehensive%20descriptions%20of%20the%20theoretical%20foundation%20and%20various%20examples%20showing%20its%20extraordinary%20successes%20in%20the%20interpretations%20of%20experimental%20observations.%20In%20addition%2C%20a%20brief%20introduction%20to%20a%20newly%20created%20repository%20Web%20site%20%28http%3A%5C%2F%5C%2Ffrequencymap.org%29%20for%20vibrational%20spectroscopic%20maps%20is%20presented.%20We%20anticipate%20that%20a%20combination%20of%20the%20vibrational%20frequency%20map%20approach%20and%20state-of-the-art%20multidimensional%20vibrational%20spectroscopy%20will%20be%20one%20of%20the%20most%20fruitful%20ways%20to%20study%20the%20structure%20and%20dynamics%20of%20chemical%2C%20biological%2C%20and%20functional%20molecular%20systems%20in%20the%20future.%22%2C%22date%22%3A%222020-08-12%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1021%5C%2Facs.chemrev.9b00813%22%2C%22ISSN%22%3A%220009-2665%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facs.chemrev.9b00813%22%2C%22collections%22%3A%5B%22G7JK5GGK%22%5D%2C%22dateModified%22%3A%222021-01-29T08%3A07%3A20Z%22%7D%7D%2C%7B%22key%22%3A%22IUJPB39W%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Zale%5Cu015bny%20et%20al.%22%2C%22parsedDate%22%3A%222020-07-30%22%2C%22numChildren%22%3A2%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3ER.%20Zale%5Cu015bny%2C%20M.%20M.%20Alam%2C%20P.%20N.%20Day%2C%20K.%20A.%20Nguyen%2C%20R.%20Pachter%2C%20C.-K.%20Lim%2C%20P.%20N.%20Prasad%20and%20H.%20%5Cu00c5gren%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fpubs.rsc.org%5C%2Fen%5C%2Fcontent%5C%2Farticlelanding%5C%2F2020%5C%2Ftc%5C%2Fd0tc01807d%27%3EComputational%20design%20of%20two-photon%20active%20organic%20molecules%20for%20infrared%20responsive%20materials%3C%5C%2Fa%3E%2C%20%3Ci%3EJ.%20Mater.%20Chem.%20C%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E8%3C%5C%2Fb%3E%2C%209867%5Cu20139873.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DIUJPB39W%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Computational%20design%20of%20two-photon%20active%20organic%20molecules%20for%20infrared%20responsive%20materials%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Robert%22%2C%22lastName%22%3A%22Zale%5Cu015bny%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Md%20Mehboob%22%2C%22lastName%22%3A%22Alam%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Paul%20N.%22%2C%22lastName%22%3A%22Day%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Kiet%20A.%22%2C%22lastName%22%3A%22Nguyen%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Ruth%22%2C%22lastName%22%3A%22Pachter%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Chang-Keun%22%2C%22lastName%22%3A%22Lim%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Paras%20N.%22%2C%22lastName%22%3A%22Prasad%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Hans%22%2C%22lastName%22%3A%22%5Cu00c5gren%22%7D%5D%2C%22abstractNote%22%3A%22In%20this%20study%20we%20report%20theoretical%20studies%20of%20the%20linear%20and%20nonlinear%20optical%20properties%20of%20a%20series%20of%20%5Cu03c0-conjugated%20organic%20cations%20and%20their%20neutral%20precursors%20which%20show%20%5Cu03c0-stacking%20to%20exhibit%20aggregation-enhanced%20optical%20properties.%20These%20organic%20cations%20show%20promise%20as%20photoactive%20layers%20in%20hybrid%20quasi-2D%20perovskites%20for%20applications%20in%20optoelectronics%2C%20particularly%20in%20the%20short%20wavelength%20infrared%20region.%20We%20analyze%20the%20one-%20and%20two-photon%20%282P%29%20absorption%20%282PA%29%20transition%20strengths%20of%20several%20excited%20states%20in%20the%20considered%20systems%20at%20the%20coupled-cluster%20level%20theory%20employing%20the%20CC2%20model.%20Furthermore%2C%20a%20microscopic%20insight%20into%20their%202P%20activity%20has%20been%20obtained%20using%20the%20generalized%20few-state%20model%20%28GFSM%29.%20Based%20on%20our%20GFSM%20results%2C%20we%20pinpoint%20the%20origin%20of%20the%20desired%20nonlinear%20optical%20properties%20and%20provide%20a%20design%20strategy%20for%20efficient%20IR%20photoactive%20organic%20materials%20with%20potential%20application%20in%20organic%5Cu2013inorganic%20hybrid%20quasi-2D%20perovskites.%22%2C%22date%22%3A%222020-07-30%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1039%5C%2FD0TC01807D%22%2C%22ISSN%22%3A%222050-7534%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fpubs.rsc.org%5C%2Fen%5C%2Fcontent%5C%2Farticlelanding%5C%2F2020%5C%2Ftc%5C%2Fd0tc01807d%22%2C%22collections%22%3A%5B%22CL9JDA29%22%2C%22EWMA97QD%22%5D%2C%22dateModified%22%3A%222020-09-30T19%3A22%3A55Z%22%7D%7D%2C%7B%22key%22%3A%22KB35D4GQ%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22O%5Cu015bmia%5Cu0142owski%20et%20al.%22%2C%22parsedDate%22%3A%222020-07-13%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EB.%20O%5Cu015bmia%5Cu0142owski%2C%20E.%20F.%20Petrusevich%2C%20M.%20A.%20Antoniak%2C%20I.%20Grela%2C%20M.%20A.%20Bin%20Jassar%2C%20M.%20Nyk%2C%20J.%20M.%20Luis%2C%20B.%20J%5Cu0119drzejewska%2C%20R.%20Zale%5Cu015bny%20and%20D.%20Jacquemin%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fpubs.acs.org%5C%2Fdoi%5C%2F10.1021%5C%2Facs.jpclett.0c01438%27%3EControlling%20Two-Photon%20Action%20Cross%20Section%20by%20Changing%20a%20Single%20Heteroatom%20Position%20in%20Fluorescent%20Dyes%3C%5C%2Fa%3E%2C%20%3Ci%3EJ.%20Phys.%20Chem.%20Lett.%3C%5C%2Fi%3E%2C%202020%2C%205920%5Cu20135925.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DKB35D4GQ%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Controlling%20Two-Photon%20Action%20Cross%20Section%20by%20Changing%20a%20Single%20Heteroatom%20Position%20in%20Fluorescent%20Dyes%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Borys%22%2C%22lastName%22%3A%22O%5Cu015bmia%5Cu0142owski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Elizaveta%20F.%22%2C%22lastName%22%3A%22Petrusevich%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Magda%20A.%22%2C%22lastName%22%3A%22Antoniak%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Izabela%22%2C%22lastName%22%3A%22Grela%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Mohammed%20A.%22%2C%22lastName%22%3A%22Bin%20Jassar%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Marcin%22%2C%22lastName%22%3A%22Nyk%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Josep%20M.%22%2C%22lastName%22%3A%22Luis%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Beata%22%2C%22lastName%22%3A%22J%5Cu0119drzejewska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Robert%22%2C%22lastName%22%3A%22Zale%5Cu015bny%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Denis%22%2C%22lastName%22%3A%22Jacquemin%22%7D%5D%2C%22abstractNote%22%3A%22The%20optimization%20of%20nonlinear%20optical%20properties%20for%20%5Cu201creal-life%5Cu201d%20applications%20remains%20a%20key%20challenge%20for%20both%20experimental%20and%20theoretical%20approaches.%20In%20particular%2C%20for%20two-photon%20processes%2C%20maximizing%20the%20two-photon%20action%20cross%20section%20%28TPACS%29%2C%20the%20%5Cufb01gure%20of%20merit%20for%20two-photon%20bioimaging%20spectroscopy%2C%20requires%20simultaneously%20controlling%20all%20its%20components.%20In%20the%20present%20Letter%2C%20a%20series%20of%20di%5Cufb02uoroborates%20presenting%20various%20heterocyclic%20rings%20as%20an%20electron%20acceptor%20have%20been%20synthesized%20and%20their%20absorption%2C%20%5Cufb02uorescence%2C%20photoisomerization%2C%20and%20two-photon%20absorption%20features%20have%20been%20analyzed%20using%20both%20experimental%20and%20theoretical%20approaches.%20Our%20results%20demonstrate%20that%20the%20TPACS%20values%20can%20be%20%5Cufb01ne-tuned%20by%20changing%20the%20position%20of%20a%20single%20heteroatom%2C%20which%20alters%20the%20%5Cufb02uorescence%20quantum%20yields%20without%20changing%20the%20intrinsic%20two-photon%20absorption%20cross%20section.%20This%20approach%20o%5Cufb00ers%20a%20new%20strategy%20for%20optimizing%20TPACS.%22%2C%22date%22%3A%222020-07-13%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1021%5C%2Facs.jpclett.0c01438%22%2C%22ISSN%22%3A%221948-7185%2C%201948-7185%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fpubs.acs.org%5C%2Fdoi%5C%2F10.1021%5C%2Facs.jpclett.0c01438%22%2C%22collections%22%3A%5B%22EWMA97QD%22%5D%2C%22dateModified%22%3A%222020-07-14T09%3A33%3A43Z%22%7D%7D%2C%7B%22key%22%3A%22793VLCN7%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Bazyli%5Cu0144ska%20et%20al.%22%2C%22parsedDate%22%3A%222020-07-01%22%2C%22numChildren%22%3A2%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EU.%20Bazyli%5Cu0144ska%2C%20D.%20Wawrzy%5Cu0144czyk%2C%20A.%20Szewczyk%20and%20J.%20Kulbacka%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27http%3A%5C%2F%5C%2Fwww.sciencedirect.com%5C%2Fscience%5C%2Farticle%5C%2Fpii%5C%2FS0162013420301161%27%3EEngineering%20and%20biological%20assessment%20of%20double%20core%20nanoplatform%20for%20co-delivery%20of%20hybrid%20fluorophores%20to%20human%20melanoma%3C%5C%2Fa%3E%2C%20%3Ci%3EJournal%20of%20Inorganic%20Biochemistry%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E208%3C%5C%2Fb%3E%2C%20111088.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3D793VLCN7%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Engineering%20and%20biological%20assessment%20of%20double%20core%20nanoplatform%20for%20co-delivery%20of%20hybrid%20fluorophores%20to%20human%20melanoma%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Urszula%22%2C%22lastName%22%3A%22Bazyli%5Cu0144ska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Dominika%22%2C%22lastName%22%3A%22Wawrzy%5Cu0144czyk%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Anna%22%2C%22lastName%22%3A%22Szewczyk%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Julita%22%2C%22lastName%22%3A%22Kulbacka%22%7D%5D%2C%22abstractNote%22%3A%22We%20investigated%20new%20development%20in%20photodynamic%20therapy%20%28PDT%29%2C%20aiming%20at%20enhanced%20tumor%20selectivity%20and%20biocompatibility%2C%20which%20included%20application%20of%20a%20third-generation%20photosensitizing%20agent%2C%20i.e.%20xanthene-origin%20Rose%20Bengal%20%28RB%29%20co-encapsulated%20with%20up-converting%20NaYF4%20nanoparticles%20%28NPs%29%20co-doped%20with%20lanthanide%20ions%3A%20Er3%2B%20%282%25%29%20and%20Yb3%2B%20%2820%25%29.%20The%20hybrid%20fluorophores%20were%20applied%20as%20components%20of%20double%20core%20nanocarriers%20%28NCs%29%20obtained%20by%20double%20%28multiple%29%20emulsion%20solvent%20evaporation%20process.%20Next%2C%20to%20improve%20the%20biocompatibility%20and%20photodynamic%20activity%2C%20biodegradable%20polymer%3A%20poly%28lactide-co-glycolide%29%20%5Cu2013%20PLGA%20and%20non-ionic%20surfactants%20with%20different%20hydrophobicity%3A%20Span%2080%20and%20Cremophor%20A25%2C%20were%20used.%20After%20the%20engineering%20process%2C%20controlled%20by%20dynamic%20light%20scattering%20%28DLS%29%20measurements%2C%20%5Cu03b6-potential%20evaluation%2C%20transmission%20electron%20and%20atomic%20force%20microscopy%20%28TEM%20and%20AFM%29%20imaging%2C%20as%20well%20as%20optical%20analysis%20provided%20by%20measurements%20of%20the%20up-conversion%20emission%20spectra%20and%20luminescence%20kinetics%20for%20encapsulated%20only%20NaYF4%3AEr3%2B%2CYb3%2B%20NPs%20and%20co-encapsulated%20RB%5Cu202f%2B%5Cu202fNaYF4%3AEr3%2B%2CYb3%2B%20molecules%2C%20spherical%20polyester%20NCs%20with%20average%20size%20%3C200%5Cu202fnm%2C%20were%20tested%20on%20human%20melanoma%20%28Me-45%20and%20MeWo%29%20cells%20and%20a%20control%20human%20keratinocyte%20%28HaCaT%29%20cell%20line.%20The%20photodynamic%20action%20of%20the%20investigated%20NCs%20was%20assessed%20by%20oxidoreductive%20potential%20measurements%20with%203-%284%2C5-dimethylthiazol-2-yl%29-2%2C5-diphenyltetrazolium%20bromide%20%28MTT%29%20assay%2C%20that%20corresponds%20to%20percentage%20of%20the%20viable%20cells.%20Immunofluorescence%20and%20the%20NCs%20internalization%20studies%20were%20visualized%20by%20confocal%20laser%20scanning%20microscopy%20%28CLSM%20studies%29.%20Our%20results%20indicated%20effective%20photosensitizer%20delivery%20into%20the%20cancer%20cells%20and%20significant%20photodynamic%20efficiency%20enhanced%20by%20the%20near%20infrared%20%28NIR%29-activation%20of%20the%20encapsulated%20hybrid%20cargo%20in%20the%20skin%20melanoma%20cells.%22%2C%22date%22%3A%22July%201%2C%202020%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1016%5C%2Fj.jinorgbio.2020.111088%22%2C%22ISSN%22%3A%220162-0134%22%2C%22url%22%3A%22http%3A%5C%2F%5C%2Fwww.sciencedirect.com%5C%2Fscience%5C%2Farticle%5C%2Fpii%5C%2FS0162013420301161%22%2C%22collections%22%3A%5B%22QLHX9TQJ%22%5D%2C%22dateModified%22%3A%222020-06-07T11%3A10%3A55Z%22%7D%7D%2C%7B%22key%22%3A%227GUX5MXQ%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Mayer%20et%20al.%22%2C%22parsedDate%22%3A%222020-06-09%22%2C%22numChildren%22%3A0%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3ED.%20C.%20Mayer%2C%20J.%20K.%20Zar%5Cu0229ba%2C%20G.%20Raudaschl-Sieber%2C%20A.%20P%5Cu00f6thig%2C%20M.%20Cho%5Cu0142uj%2C%20R.%20Zale%5Cu015bny%2C%20M.%20Samo%5Cu0107%20and%20R.%20A.%20Fischer%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facs.chemmater.0c01417%27%3EPostsynthetic%20Framework%20Contraction%20Enhances%20the%20Two-Photon%20Absorption%20Properties%20of%20Pillar-Layered%20Metal%5Cu2013Organic%20Frameworks%3C%5C%2Fa%3E%2C%20%3Ci%3EChem.%20Mater.%3C%5C%2Fi%3E%2C%20%2C%20DOI%3A10.1021%5C%2Facs.chemmater.0c01417.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3D7GUX5MXQ%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Postsynthetic%20Framework%20Contraction%20Enhances%20the%20Two-Photon%20Absorption%20Properties%20of%20Pillar-Layered%20Metal%5Cu2013Organic%20Frameworks%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22David%20C.%22%2C%22lastName%22%3A%22Mayer%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Jan%20K.%22%2C%22lastName%22%3A%22Zar%5Cu0229ba%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Gabriele%22%2C%22lastName%22%3A%22Raudaschl-Sieber%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Alexander%22%2C%22lastName%22%3A%22P%5Cu00f6thig%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Marta%22%2C%22lastName%22%3A%22Cho%5Cu0142uj%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Robert%22%2C%22lastName%22%3A%22Zale%5Cu015bny%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Marek%22%2C%22lastName%22%3A%22Samo%5Cu0107%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Roland%20A.%22%2C%22lastName%22%3A%22Fischer%22%7D%5D%2C%22abstractNote%22%3A%22Aggregation-induced%20emission%20%28AIE%29%20dyes%20have%20been%20shown%20to%20be%20a%20potential%20ligand%20class%20for%20multiphoton%20absorbing%20metal%5Cu2013organic%20frameworks%20%28MPA-MOFs%29%3B%20however%2C%20the%20influence%20of%20framework%20flexibility%20on%20the%20local%20ligand%20conformation%20and%20its%20ramifications%20on%20the%20nonlinear%20absorption%20properties%20of%20this%20material%20class%20have%20sparsely%20been%20understood.%20In%20this%20study%2C%20we%20systematically%20investigate%20the%20two-photon%20absorption%20properties%20of%20two%20pillar-layered%20MOFs%20comprising%20tetraphenylethylene%20AIE%20ligands%20and%20compare%20the%20results%20to%20the%20organic%20ligand%20in%20crystal%20form%2C%20using%20a%20combination%20of%20linear%20and%20nonlinear%20optical%20characterization%20methods%20and%20electronic-structure%20calculations.%20We%20demonstrate%20that%20self-confining%20the%20AIE%20ligand%20is%20key%20to%20enhance%20the%20nonlinear%20optical%20absorption%20properties%2C%20as%20a%20structure%20transformation%20to%20contracted%20frameworks%20strongly%20increases%20the%20two-photon%20absorption%20response%2C%20which%20can%20be%20addressed%20by%20specific%20ligand%20substitution.%20Our%20results%20have%20important%20implications%20on%20the%20design%20of%20MPA-MOFs%20and%20provide%20synthetic%20guidelines%20not%20only%20from%20a%20fundamental%20point%20of%20view%20but%20also%20application-wise.%22%2C%22date%22%3A%222020-06-09%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1021%5C%2Facs.chemmater.0c01417%22%2C%22ISSN%22%3A%220897-4756%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facs.chemmater.0c01417%22%2C%22collections%22%3A%5B%22CL9JDA29%22%2C%22EWMA97QD%22%2C%22XC9PPQHC%22%5D%2C%22dateModified%22%3A%222020-06-30T16%3A34%3A59Z%22%7D%7D%2C%7B%22key%22%3A%22I2T7YUMJ%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Kulbacka%20et%20al.%22%2C%22parsedDate%22%3A%222020-06-01%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EJ.%20Kulbacka%2C%20A.%20Choroma%5Cu0144ska%2C%20M.%20Dr%5Cu0105g-Zalesi%5Cu0144ska%2C%20P.%20Nowak%2C%20D.%20Baczy%5Cu0144ska%2C%20M.%20Kotulska%2C%20I.%20Bednarz-Misa%2C%20J.%20Saczko%20and%20A.%20Chwi%5Cu0142kowska%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27http%3A%5C%2F%5C%2Fwww.sciencedirect.com%5C%2Fscience%5C%2Farticle%5C%2Fpii%5C%2FS1572100020301289%27%3EProapoptotic%20activity%20induced%20by%20photodynamic%20reaction%20with%20novel%20cyanine%20dyes%20in%20caspase-3-deficient%20human%20breast%20adenocarcinoma%20cell%20lines%20%28MCF%5C%2FWT%20and%20MCF%5C%2FDX%29%3C%5C%2Fa%3E%2C%20%3Ci%3EPhotodiagnosis%20and%20Photodynamic%20Therapy%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E30%3C%5C%2Fb%3E%2C%20101775.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DI2T7YUMJ%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Proapoptotic%20activity%20induced%20by%20photodynamic%20reaction%20with%20novel%20cyanine%20dyes%20in%20caspase-3-deficient%20human%20breast%20adenocarcinoma%20cell%20lines%20%28MCF%5C%2FWT%20and%20MCF%5C%2FDX%29%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Julita%22%2C%22lastName%22%3A%22Kulbacka%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Anna%22%2C%22lastName%22%3A%22Choroma%5Cu0144ska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Ma%5Cu0142gorzata%22%2C%22lastName%22%3A%22Dr%5Cu0105g-Zalesi%5Cu0144ska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Piotr%22%2C%22lastName%22%3A%22Nowak%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Dagmara%22%2C%22lastName%22%3A%22Baczy%5Cu0144ska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Ma%5Cu0142gorzata%22%2C%22lastName%22%3A%22Kotulska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Iwona%22%2C%22lastName%22%3A%22Bednarz-Misa%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Jolanta%22%2C%22lastName%22%3A%22Saczko%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Agnieszka%22%2C%22lastName%22%3A%22Chwi%5Cu0142kowska%22%7D%5D%2C%22abstractNote%22%3A%22Photodynamic%20therapy%20%28PDT%29%20is%20currently%20one%20of%20the%20cancer%20treatment%20options.%20PDT%20requires%20the%20application%20of%20a%20photosensitizer%20%28such%20as%3A%20porphyrins%2C%20chlorines%2C%20and%20phthalocyanines%29%20that%20selectively%20targets%20malignant%20cells.%20It%20is%20a%20dilemma%20to%20find%20a%20proper%20photosensitizer.%20In%20our%20study%2C%20we%20have%20tested%20a%20new%20in-vitro%20group%20of%20cyanine%20dyes.%20These%20dyes%20are%20widely%20applied%20in%20biotechnology%20as%20fluorescent%20markers.%20Two%20malignant%20adenocarcinoma%20cell%20lines%20%28MCF-7%5C%2FWT%20and%20MCF-7%5C%2FDOX%29%20were%20investigated%20using%20photodynamic%20reaction%20%28PDR%29%20with%20four%20cyanine%20dyes%20%28KF-570%2C%20HM-118%2C%20FBF-749%2C%20and%20ER-139%29.%20KF-570%20and%20HM-118%20were%20irradiated%20with%20red%20light%20%28630%5Cu202fnm%29%2C%20whereas%20FBF-749%20and%20ER-139%20with%20green%20light%20%28435%5Cu202fnm%29.%20To%20evaluate%20PDR%20efficiency%2C%20a%20clonogenic%20test%20was%20conducted.%20Apoptosis%20was%20investigated%20by%20TUNEL%20and%20NCA%20%28neutral%20comet%29%20assays.%20Proteins%20selected%20as%20indicators%20of%20the%20apoptotic%20pathway%20%28AIF%2C%20sPLA2%2C%20Smac%5C%2FDiablo%29%20and%20intracellular%20response%20markers%20%28SOD-1%20and%20GST-pi%29%20were%20detected%20using%20western%20blot.%20The%20highest%20number%20of%20apoptotic%20cells%20%28ca.%20100%25%29%20was%20observed%20after%20PDR%20with%20HM-118%20and%20KF-570%20in%20both%20conducted%20tests%2C%20in%20both%20cell%20lines.%20The%20results%20showed%20that%20HM-118%20and%20KF-570%20cyanine%20dyes%20demonstrated%20a%20major%20phototoxic%20effect%20causing%20apoptosis%20in%20doxorubicin-resistant%20and%20sensitive%20cell%20lines.%22%2C%22date%22%3A%22June%201%2C%202020%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1016%5C%2Fj.pdpdt.2020.101775%22%2C%22ISSN%22%3A%221572-1000%22%2C%22url%22%3A%22http%3A%5C%2F%5C%2Fwww.sciencedirect.com%5C%2Fscience%5C%2Farticle%5C%2Fpii%5C%2FS1572100020301289%22%2C%22collections%22%3A%5B%22QLHX9TQJ%22%5D%2C%22dateModified%22%3A%222020-05-29T11%3A12%3A13Z%22%7D%7D%2C%7B%22key%22%3A%22TPK5TZDX%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Xu%20et%20al.%22%2C%22parsedDate%22%3A%222020-06%22%2C%22numChildren%22%3A0%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EJ.%20Xu%2C%20V.%20Chmela%2C%20N.%20J.%20Green%2C%20D.%20A.%20Russell%2C%20M.%20J.%20Janicki%2C%20R.%20W.%20G%5Cu00f3ra%2C%20R.%20Szabla%2C%20A.%20D.%20Bond%20and%20J.%20D.%20Sutherland%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fwww.nature.com%5C%2Farticles%5C%2Fs41586-020-2330-9%27%3ESelective%20prebiotic%20formation%20of%20RNA%20pyrimidine%20and%20DNA%20purine%20nucleosides%3C%5C%2Fa%3E%2C%20%3Ci%3ENature%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E582%3C%5C%2Fb%3E%2C%2060%5Cu201366.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DTPK5TZDX%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Selective%20prebiotic%20formation%20of%20RNA%20pyrimidine%20and%20DNA%20purine%20nucleosides%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Jianfeng%22%2C%22lastName%22%3A%22Xu%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22V%5Cu00e1clav%22%2C%22lastName%22%3A%22Chmela%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Nicholas%20J.%22%2C%22lastName%22%3A%22Green%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22David%20A.%22%2C%22lastName%22%3A%22Russell%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Miko%5Cu0142aj%20J.%22%2C%22lastName%22%3A%22Janicki%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Robert%20W.%22%2C%22lastName%22%3A%22G%5Cu00f3ra%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Rafa%5Cu0142%22%2C%22lastName%22%3A%22Szabla%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Andrew%20D.%22%2C%22lastName%22%3A%22Bond%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22John%20D.%22%2C%22lastName%22%3A%22Sutherland%22%7D%5D%2C%22abstractNote%22%3A%22The%20nature%20of%20the%20first%20genetic%20polymer%20is%20the%20subject%20of%20major%20debate1.%20Although%20the%20%5Cu2018RNA%20world%5Cu2019%20theory%20suggests%20that%20RNA%20was%20the%20first%20replicable%20information%20carrier%20of%20the%20prebiotic%20era%5Cu2014that%20is%2C%20prior%20to%20the%20dawn%20of%20life2%2C3%5Cu2014other%20evidence%20implies%20that%20life%20may%20have%20started%20with%20a%20heterogeneous%20nucleic%20acid%20genetic%20system%20that%20included%20both%20RNA%20and%20DNA4.%20Such%20a%20theory%20streamlines%20the%20eventual%20%5Cu2018genetic%20takeover%5Cu2019%20of%20homogeneous%20DNA%20from%20RNA%20as%20the%20principal%20information-storage%20molecule%2C%20but%20requires%20a%20selective%20abiotic%20synthesis%20of%20both%20RNA%20and%20DNA%20building%20blocks%20in%20the%20same%20local%20primordial%20geochemical%20scenario.%20Here%20we%20demonstrate%20a%20high-yielding%2C%20completely%20stereo-%2C%20regio-%20and%20furanosyl-selective%20prebiotic%20synthesis%20of%20the%20purine%20deoxyribonucleosides%3A%20deoxyadenosine%20and%20deoxyinosine.%20Our%20synthesis%20uses%20key%20intermediates%20in%20the%20prebiotic%20synthesis%20of%20the%20canonical%20pyrimidine%20ribonucleosides%20%28cytidine%20and%20uridine%29%2C%20and%20we%20show%20that%2C%20once%20generated%2C%20the%20pyrimidines%20persist%20throughout%20the%20synthesis%20of%20the%20purine%20deoxyribonucleosides%2C%20leading%20to%20a%20mixture%20of%20deoxyadenosine%2C%20deoxyinosine%2C%20cytidine%20and%20uridine.%20These%20results%20support%20the%20notion%20that%20purine%20deoxyribonucleosides%20and%20pyrimidine%20ribonucleosides%20may%20have%20coexisted%20before%20the%20emergence%20of%20life5.%22%2C%22date%22%3A%222020-06%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1038%5C%2Fs41586-020-2330-9%22%2C%22ISSN%22%3A%221476-4687%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fwww.nature.com%5C%2Farticles%5C%2Fs41586-020-2330-9%22%2C%22collections%22%3A%5B%22K3KTV3GZ%22%2C%22V54TBHKX%22%5D%2C%22dateModified%22%3A%222021-04-03T10%3A03%3A33Z%22%7D%7D%2C%7B%22key%22%3A%224UBLMQX6%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Iwanejko%20et%20al.%22%2C%22parsedDate%22%3A%222020-04-08%22%2C%22numChildren%22%3A4%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EJ.%20Iwanejko%2C%20M.%20Sowi%5Cu0144ski%2C%20E.%20Wojaczy%5Cu0144ska%2C%20T.%20K.%20Olszewski%20and%20M.%20G%5Cu00f3recki%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fpubs.rsc.org%5C%2Fen%5C%2Fcontent%5C%2Farticlelanding%5C%2F2020%5C%2Fra%5C%2Fd0ra02646h%27%3EAn%20approach%20to%20new%20chiral%20bicyclic%20imines%20and%20amines%20via%20Horner%5Cu2013Wadsworth%5Cu2013Emmons%20reaction%3C%5C%2Fa%3E%2C%20%3Ci%3ERSC%20Adv.%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E10%3C%5C%2Fb%3E%2C%2014618%5Cu201314629.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3D4UBLMQX6%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22An%20approach%20to%20new%20chiral%20bicyclic%20imines%20and%20amines%20via%20Horner%5Cu2013Wadsworth%5Cu2013Emmons%20reaction%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Jakub%22%2C%22lastName%22%3A%22Iwanejko%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Mateusz%22%2C%22lastName%22%3A%22Sowi%5Cu0144ski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22El%5Cu017cbieta%22%2C%22lastName%22%3A%22Wojaczy%5Cu0144ska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Tomasz%20K.%22%2C%22lastName%22%3A%22Olszewski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Marcin%22%2C%22lastName%22%3A%22G%5Cu00f3recki%22%7D%5D%2C%22abstractNote%22%3A%22New%20chiral%20bicyclic%20imines%2C%20enamines%20and%20amines%20were%20prepared%20via%20Horner%5Cu2013Wadsworth%5Cu2013Emmons%20reaction%20of%20hexahydroquinoxalin-2%281H%29-one-derived%20phosphonate%2C%20as%20the%20source%20of%20a%20phosphonate%20carbanion%2C%20and%20a%20wide%20range%20of%20structurally%20diverse%20carbonyl%20substrates.%20The%20simplicity%20of%20the%20synthetic%20protocol%2C%20high%20selectivity%2C%20and%20broad%20substrate%20scope%20are%20the%20main%20advantages%20of%20the%20presented%20methodology.%22%2C%22date%22%3A%222020-04-08%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1039%5C%2FD0RA02646H%22%2C%22ISSN%22%3A%222046-2069%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fpubs.rsc.org%5C%2Fen%5C%2Fcontent%5C%2Farticlelanding%5C%2F2020%5C%2Fra%5C%2Fd0ra02646h%22%2C%22collections%22%3A%5B%22QLHX9TQJ%22%5D%2C%22dateModified%22%3A%222020-06-09T13%3A39%3A29Z%22%7D%7D%2C%7B%22key%22%3A%22Z8QCIINA%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22%5Cu0141upicka-S%5Cu0142owik%20et%20al.%22%2C%22parsedDate%22%3A%222020-04-08%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EA.%20%5Cu0141upicka-S%5Cu0142owik%2C%20M.%20Psurski%2C%20R.%20Grzywa%2C%20M.%20Cuprych%2C%20J.%20Ciekot%2C%20W.%20Goldeman%2C%20E.%20Wojaczy%5Cu0144ska%2C%20J.%20Wojaczy%5Cu0144ski%2C%20J.%20Oleksyszyn%20and%20M.%20Sie%5Cu0144czyk%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1007%5C%2Fs10637-020-00923-4%27%3EStructure-based%20design%2C%20synthesis%2C%20and%20evaluation%20of%20the%20biological%20activity%20of%20novel%20phosphoroorganic%20small%20molecule%20IAP%20antagonists%3C%5C%2Fa%3E%2C%20%3Ci%3EInvest%20New%20Drugs%3C%5C%2Fi%3E%2C%20%2C%20DOI%3A10.1007%5C%2Fs10637-020-00923-4.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DZ8QCIINA%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Structure-based%20design%2C%20synthesis%2C%20and%20evaluation%20of%20the%20biological%20activity%20of%20novel%20phosphoroorganic%20small%20molecule%20IAP%20antagonists%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Agnieszka%22%2C%22lastName%22%3A%22%5Cu0141upicka-S%5Cu0142owik%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Mateusz%22%2C%22lastName%22%3A%22Psurski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Renata%22%2C%22lastName%22%3A%22Grzywa%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Monika%22%2C%22lastName%22%3A%22Cuprych%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Jaros%5Cu0142aw%22%2C%22lastName%22%3A%22Ciekot%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Waldemar%22%2C%22lastName%22%3A%22Goldeman%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22El%5Cu017cbieta%22%2C%22lastName%22%3A%22Wojaczy%5Cu0144ska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Jacek%22%2C%22lastName%22%3A%22Wojaczy%5Cu0144ski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22J%5Cu00f3zef%22%2C%22lastName%22%3A%22Oleksyszyn%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Marcin%22%2C%22lastName%22%3A%22Sie%5Cu0144czyk%22%7D%5D%2C%22abstractNote%22%3A%22One%20of%20the%20strategies%20employed%20by%20novel%20anticancer%20therapies%20is%20to%20put%20the%20process%20of%20apoptosis%20back%20on%20track%20by%20blocking%20the%20interaction%20between%20inhibitor%20of%20apoptosis%20proteins%20%28IAPs%29%20and%20caspases.%20The%20activity%20of%20caspases%20is%20modulated%20by%20the%20caspases%20themselves%20in%20a%20caspase%5C%2Fprocaspase%20proteolytic%20cascade%20and%20by%20their%20interaction%20with%20IAPs.%20Caspases%20can%20be%20released%20from%20the%20inhibitory%20influence%20of%20IAPs%20by%20proapoptotic%20proteins%20such%20as%20secondary%20mitochondrial%20activator%20of%20caspases%20%28Smac%29%20that%20share%20an%20IAP%20binding%20motif%20%28IBM%29.%20The%20main%20purpose%20of%20the%20present%20study%20was%20the%20design%20and%20synthesis%20of%20phosphorus-based%20peptidyl%20antagonists%20of%20IAPs%20that%20mimic%20the%20endogenous%20Smac%20protein%2C%20which%20blocks%20the%20interaction%20between%20IAPs%20and%20caspases.%20Based%20on%20the%20structure%20of%20the%20IAP%20antagonist%20and%20recently%20reported%20thiadiazole%20derivatives%2C%20we%20designed%20and%20evaluated%20the%20biochemical%20properties%20of%20a%20series%20of%20phosphonic%20peptides%20bearing%20the%20N-Me-Ala-Val%5C%2FChg-Pro-OH%20motif%20%28Chg%3A%20cyclohexylglycine%29.%20The%20ability%20of%20the%20obtained%20compounds%20to%20interact%20with%20the%20binding%20groove%20of%20the%20X-linked%20inhibitor%20of%20apoptosis%20protein%20baculovirus%20inhibitor%20of%20apoptosis%20protein%20repeat%20%28XIAP%20BIR3%29%20domain%20was%20examined%20by%20a%20fluorescence%20polarization%20assay%2C%20while%20their%20potential%20to%20induce%20autoubiquitination%20followed%20by%20proteasomal%20degradation%20of%20cellular%20IAP1%20was%20examined%20using%20the%20MDA-MB-231%20breast%20cancer%20cell%20line.%20The%20highest%20potency%20against%20BIR3%20was%20observed%20among%20peptides%20containing%20C-terminal%20phosphonic%20phenylalanine%20analogs%2C%20which%20displayed%20nanomolar%20Ki%20values.%20Their%20antiproliferative%20potential%20as%20well%20as%20their%20proapoptotic%20action%2C%20manifested%20by%20an%20increase%20in%20caspase-3%20activity%2C%20was%20examined%20using%20various%20cell%20lines.%22%2C%22date%22%3A%222020-04-08%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1007%5C%2Fs10637-020-00923-4%22%2C%22ISSN%22%3A%221573-0646%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1007%5C%2Fs10637-020-00923-4%22%2C%22collections%22%3A%5B%22QLHX9TQJ%22%5D%2C%22dateModified%22%3A%222020-06-07T11%3A22%3A07Z%22%7D%7D%2C%7B%22key%22%3A%22MM7RNVDT%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Bihanic%20et%20al.%22%2C%22parsedDate%22%3A%222020-03-19%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EC.%20Bihanic%2C%20K.%20Richards%2C%20T.%20K.%20Olszewski%20and%20C.%20Grison%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fchemistry-europe.onlinelibrary.wiley.com%5C%2Fdoi%5C%2Ffull%5C%2F10.1002%5C%2Fcctc.201901845%27%3EEco-Mn%20Ecocatalysts%3A%20Toolbox%20for%20Sustainable%20and%20Green%20Lewis%20Acid%20Catalysis%20and%20Oxidation%20Reactions%3C%5C%2Fa%3E%2C%20%3Ci%3EChemCatChem%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E12%3C%5C%2Fb%3E%2C%201529%5Cu20131545.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DMM7RNVDT%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Eco-Mn%20Ecocatalysts%3A%20Toolbox%20for%20Sustainable%20and%20Green%20Lewis%20Acid%20Catalysis%20and%20Oxidation%20Reactions%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Camille%22%2C%22lastName%22%3A%22Bihanic%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Kenza%22%2C%22lastName%22%3A%22Richards%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Tomasz%20K.%22%2C%22lastName%22%3A%22Olszewski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Claude%22%2C%22lastName%22%3A%22Grison%22%7D%5D%2C%22abstractNote%22%3A%22Abstract%20Phytoextraction%20is%20one%20of%20the%20most%20promising%20phytotechnologies%20used%20to%20restore%20natural%20environments%20degraded%20by%20mining%20activities.%20In%20New%20Caledonia%2C%20a%20few%20plant%20species%2C%20which%20belong%20to%20the%20Grevillea%20genus%2C%20have%20the%20ability%20to%20extract%20Mn%20from%20soil%20and%20accumulate%20it%20in%20abundance%20%28over%201%3F%25%20of%20leaves%20dry%20weight%29.%20This%20review%20describes%20the%20use%20of%20Grevillea%20Mn-accumulating%20plant%20species%20to%20produce%20the%20first%20bio-sourced%20Mn%20catalysts%2C%20called%20Eco-Mn%20catalysts.%20Extensive%20structural%20studies%20of%20Eco-Mn%20catalysts%20have%20highlighted%20an%20original%20composition%20characteristic%20of%20their%20vegetal%20origin.%20Eco-Mn%20catalysts%20have%20demonstrated%20competitive%20catalytic%20activities%20compared%20to%20conventional%20Mn%20catalysts%20in%20Lewis%20acid%20catalysis%2C%20aminoreductions%2C%20alcohol%20oxidations%2C%20epoxidation%20reactions%2C%20oxidative%20cleavage%20of%201%2C2-diols%20and%20alkenes%20and%20%3FJanus%20catalysts%3F%20for%20sequential%20tandem%20oxidations%20such%20as%20tandem%20carbonyl-ene%20cyclisation%2C%20synthesis%20of%20substituted%20pyridines%20and%20oxidative%20iodination%20of%20ketones.%22%2C%22date%22%3A%22March%2019%2C%202020%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1002%5C%2Fcctc.201901845%22%2C%22ISSN%22%3A%221867-3880%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fchemistry-europe.onlinelibrary.wiley.com%5C%2Fdoi%5C%2Ffull%5C%2F10.1002%5C%2Fcctc.201901845%22%2C%22collections%22%3A%5B%22QLHX9TQJ%22%5D%2C%22dateModified%22%3A%222020-06-06T05%3A21%3A32Z%22%7D%7D%2C%7B%22key%22%3A%224JPJGVRH%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Tuan-Anh%20and%20Zale%5Cu015bny%22%2C%22parsedDate%22%3A%222020-03-17%22%2C%22numChildren%22%3A3%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3ET.%20Tuan-Anh%20and%20R.%20Zale%5Cu015bny%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facsomega.9b04339%27%3EPredictions%20of%20High-Order%20Electric%20Properties%20of%20Molecules%3A%20Can%20We%20Benefit%20from%20Machine%20Learning%3F%3C%5C%2Fa%3E%2C%20%3Ci%3EACS%20Omega%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E5%3C%5C%2Fb%3E%2C%205318%5Cu20135325.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3D4JPJGVRH%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Predictions%20of%20High-Order%20Electric%20Properties%20of%20Molecules%3A%20Can%20We%20Benefit%20from%20Machine%20Learning%3F%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Tran%22%2C%22lastName%22%3A%22Tuan-Anh%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Robert%22%2C%22lastName%22%3A%22Zale%5Cu015bny%22%7D%5D%2C%22abstractNote%22%3A%22There%20is%20an%20exigency%20of%20adopting%20machine%20learning%20techniques%20to%20screen%20and%20discover%20new%20materials%20which%20could%20address%20many%20societal%20and%20technological%20challenges.%20In%20this%20work%2C%20we%20follow%20this%20trend%20and%20employ%20machine%20learning%20to%20study%20%28high-order%29%20electric%20properties%20of%20organic%20compounds.%20The%20results%20of%20quantum-chemistry%20calculations%20of%20polarizability%20and%20first%20hyperpolarizability%2C%20obtained%20for%20more%20than%2050%2C000%20compounds%2C%20served%20as%20targets%20for%20machine%20learning-based%20predictions.%20The%20studied%20set%20of%20molecular%20structures%20encompasses%20organic%20push%5Cu2013pull%20molecules%20with%20variable%20linker%20lengths.%20Moreover%2C%20the%20diversified%20set%20of%20linkers%2C%20composed%20of%20alternating%20single%5C%2Fdouble%20and%20single%5C%2Ftriple%20carbon%5Cu2013carbon%20bonds%2C%20was%20considered.%20This%20study%20demonstrates%20that%20the%20applied%20machine%20learning%20strategy%20allows%20us%20to%20obtain%20the%20correlation%20coefficients%2C%20between%20predicted%20and%20reference%20values%20of%20%28hyper%29polarizabilities%2C%20exceeding%200.9%20on%20training%2C%20validation%2C%20and%20test%20set.%20However%2C%20in%20order%20to%20achieve%20such%20satisfactory%20predictive%20power%2C%20one%20needs%20to%20choose%20the%20training%20set%20appropriately%2C%20as%20the%20machine%20learning%20methods%20are%20very%20sensitive%20to%20the%20linker-type%20diversity%20in%20the%20training%20set%2C%20yielding%20catastrophic%20predictions%20in%20certain%20cases.%20Furthermore%2C%20the%20dependence%20of%20%28hyper%29polarizability%20on%20the%20length%20of%20spacers%20was%20studied%20in%20detail%2C%20allowing%20for%20explanation%20of%20the%20appreciably%20high%20accuracy%20of%20employed%20approaches.%22%2C%22date%22%3A%222020-03-17%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1021%5C%2Facsomega.9b04339%22%2C%22ISSN%22%3A%222470-1343%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facsomega.9b04339%22%2C%22collections%22%3A%5B%22QLHX9TQJ%22%2C%22CL9JDA29%22%2C%22EWMA97QD%22%2C%22XC9PPQHC%22%5D%2C%22dateModified%22%3A%222020-06-30T16%3A38%3A44Z%22%7D%7D%2C%7B%22key%22%3A%22R2DP4CHX%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Olszewski%20et%20al.%22%2C%22parsedDate%22%3A%222020-02-21%22%2C%22numChildren%22%3A0%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3ET.%20K.%20Olszewski%2C%20M.%20Bieniek%20and%20K.%20Skowerski%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facs.oprd.9b00483%27%3ERuthenium-Based%20Complexes%20Bearing%20Quaternary%20Ammonium%20Tags%20as%20Versatile%20Catalysts%20for%20Olefin%20Metathesis%3A%20From%20the%20Discovery%20to%20Practical%20Applications%3C%5C%2Fa%3E%2C%20%3Ci%3EOrg.%20Process%20Res.%20Dev.%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E24%3C%5C%2Fb%3E%2C%20125%5Cu2013145.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DR2DP4CHX%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Ruthenium-Based%20Complexes%20Bearing%20Quaternary%20Ammonium%20Tags%20as%20Versatile%20Catalysts%20for%20Olefin%20Metathesis%3A%20From%20the%20Discovery%20to%20Practical%20Applications%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Tomasz%20K.%22%2C%22lastName%22%3A%22Olszewski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Micha%5Cu0142%22%2C%22lastName%22%3A%22Bieniek%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Krzysztof%22%2C%22lastName%22%3A%22Skowerski%22%7D%5D%2C%22abstractNote%22%3A%22This%20personal%20account%20describes%20the%20development%20and%20fine-tuning%20of%20pH-neutral%20quaternary-ammonium-tagged%20ruthenium-based%20complexes%2C%20their%20use%20as%20versatile%20catalysts%20for%20olefin%20metathesis%2C%20and%20the%20application%20of%20that%20transformation%20in%20the%20synthesis%20of%20complex%20molecules.%22%2C%22date%22%3A%222020-02-21%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1021%5C%2Facs.oprd.9b00483%22%2C%22ISSN%22%3A%221083-6160%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facs.oprd.9b00483%22%2C%22collections%22%3A%5B%22QLHX9TQJ%22%5D%2C%22dateModified%22%3A%222020-06-30T16%3A38%3A55Z%22%7D%7D%2C%7B%22key%22%3A%22M5XAUKH5%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Avramopoulos%20et%20al.%22%2C%22parsedDate%22%3A%222020-02-20%22%2C%22numChildren%22%3A0%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EA.%20Avramopoulos%2C%20R.%20Zale%5Cu015bny%2C%20H.%20Reis%20and%20M.%20G.%20Papadopoulos%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facs.jpcc.9b10563%27%3EA%20Computational%20Strategy%20for%20the%20Design%20of%20Photochromic%20Derivatives%20Based%20on%20Diarylethene%20and%20Nickel%20Dithiolene%20with%20Large%20Contrast%20in%20Nonlinear%20Optical%20Properties%3C%5C%2Fa%3E%2C%20%3Ci%3EJ.%20Phys.%20Chem.%20C%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E124%3C%5C%2Fb%3E%2C%204221%5Cu20134241.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DM5XAUKH5%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22A%20Computational%20Strategy%20for%20the%20Design%20of%20Photochromic%20Derivatives%20Based%20on%20Diarylethene%20and%20Nickel%20Dithiolene%20with%20Large%20Contrast%20in%20Nonlinear%20Optical%20Properties%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Aggelos%22%2C%22lastName%22%3A%22Avramopoulos%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Robert%22%2C%22lastName%22%3A%22Zale%5Cu015bny%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Heribert%22%2C%22lastName%22%3A%22Reis%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Manthos%20G.%22%2C%22lastName%22%3A%22Papadopoulos%22%7D%5D%2C%22abstractNote%22%3A%22We%20designed%20a%20series%20of%20photochromic%20derivatives%20by%20employing%20density%20functional%20method%20%28CAM-B3LYP%5C%2F6-31G%2A%29.%20These%20compounds%20are%20based%20on%20DAE%20%28diarylethenes%29%2C%20both%20sides%20of%20which%20are%20bonded%20with%20benzene%20and%20NiBDT%20%28bis%28ethylene-1%2C2-dithiolato%29Ni%29.%20These%20substituents%20and%2C%20in%20particular%2C%20the%20NiBDT%20moiety%20are%20known%20to%20exhibit%20very%20large%20second%20hyperpolarizability.%20The%20objective%20of%20this%20work%20was%20to%20develop%2C%20by%20employing%20a%20DFT%20methodology%2C%20a%20set%20of%20rules%20for%20designing%20photochromic%20materials%20presenting%20the%20following%3A%20%28i%29%20a%20large%20contrast%20between%20a%20series%20of%20physical%20properties%5Cu2014the%20hyperpolarizabilities%20%28first%20and%20second%29%2C%20the%20IR%20absorption%20and%20the%20two-photon%20absorption%20%28TPA%29%20strength%5Cu2014of%20the%20%5Cu201copen%5Cu201d%20and%20the%20%5Cu201cclosed%5Cu201d%20isomers%20and%20%28ii%29%20extremely%20large%20nonlinear%20optical%20properties.%20This%20large%20contrast%20may%20be%20attained%20by%20a%20light-induced%20transformation%20of%20the%20%5Cu201copen%5Cu201d%20to%20the%20%5Cu201cclosed%5Cu201d%20isomer%2C%20combined%20with%20substituents%20involving%20an%20extensive%20%5Cu03c0-electron%20network%20and%5C%2For%20strong%20donor%5C%2Facceptor%20pairs.%22%2C%22date%22%3A%222020-02-20%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1021%5C%2Facs.jpcc.9b10563%22%2C%22ISSN%22%3A%221932-7447%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facs.jpcc.9b10563%22%2C%22collections%22%3A%5B%22QLHX9TQJ%22%2C%22EWMA97QD%22%5D%2C%22dateModified%22%3A%222020-06-30T16%3A39%3A08Z%22%7D%7D%2C%7B%22key%22%3A%22X764TRWV%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Ordon%20et%20al.%22%2C%22parsedDate%22%3A%222020-02-13%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EP.%20Ordon%2C%20L.%20Komorowski%2C%20M.%20J%5Cu0119drzejewski%20and%20J.%20Zaklika%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facs.jpca.9b10145%27%3EThe%20Connectivity%20Matrix%3A%20A%20Toolbox%20for%20Monitoring%20Bonded%20Atoms%20and%20Bonds%3C%5C%2Fa%3E%2C%20%3Ci%3EJ.%20Phys.%20Chem.%20A%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E124%3C%5C%2Fb%3E%2C%201076%5Cu20131086.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DX764TRWV%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22The%20Connectivity%20Matrix%3A%20A%20Toolbox%20for%20Monitoring%20Bonded%20Atoms%20and%20Bonds%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Piotr%22%2C%22lastName%22%3A%22Ordon%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Ludwik%22%2C%22lastName%22%3A%22Komorowski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Mateusz%22%2C%22lastName%22%3A%22J%5Cu0119drzejewski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Jaros%5Cu0142aw%22%2C%22lastName%22%3A%22Zaklika%22%7D%5D%2C%22abstractNote%22%3A%22The%20concept%20of%20a%20connectivity%20matrix%2C%20essential%20for%20the%20reaction%20fragility%20%28RF%29%20spectra%20technique%20for%20monitoring%20electron%20density%20evolution%20in%20a%20chemical%20reaction%2C%20has%20been%20supported%20with%20a%20novel%20formulation%20for%20the%20diagonal%20matrix%20elements%3B%20their%20direct%20link%20to%20the%20electron%20density%20function%20%5Cu03c1%28r%29%20has%20been%20demonstrated.%20By%20combining%20the%20concept%20with%20the%20atomization%20energy%20of%20a%20system%2C%20the%20separation%20of%20the%20potential%20energy%20into%20atomic%20and%5C%2For%20bond%20contributions%20has%20been%20achieved.%20The%20energy%20derivative%20diagrams%20for%20atoms%20and%20bonds%20that%20are%20variable%20along%20a%20reaction%20path%20provide%20new%20insight%20into%20the%20reaction%20mechanism.%20Diagonalization%20of%20the%20connectivity%20matrix%20resulted%20in%20the%20eigenvectors%20that%20provide%20information%20on%20a%20role%20of%20individual%20atoms%20in%20the%20development%20of%20structural%20changes%20along%20a%20reaction%20path.%22%2C%22date%22%3A%222020-02-13%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1021%5C%2Facs.jpca.9b10145%22%2C%22ISSN%22%3A%221089-5639%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facs.jpca.9b10145%22%2C%22collections%22%3A%5B%22QLHX9TQJ%22%2C%22QKBMCJZP%22%5D%2C%22dateModified%22%3A%222020-06-06T19%3A06%3A14Z%22%7D%7D%2C%7B%22key%22%3A%22AZVEJNSC%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Ordon%20et%20al.%22%2C%22parsedDate%22%3A%222020-01-16%22%2C%22numChildren%22%3A2%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EP.%20Ordon%2C%20J.%20Zaklika%2C%20M.%20J%5Cu0119drzejewski%20and%20L.%20Komorowski%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facs.jpca.9b09426%27%3EBond%20Softening%20Indices%20Studied%20by%20the%20Fragility%20Spectra%20for%20Proton%20Migration%20in%20Formamide%20and%20Related%20Structures%3C%5C%2Fa%3E%2C%20%3Ci%3EJ.%20Phys.%20Chem.%20A%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E124%3C%5C%2Fb%3E%2C%20328%5Cu2013338.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DAZVEJNSC%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Bond%20Softening%20Indices%20Studied%20by%20the%20Fragility%20Spectra%20for%20Proton%20Migration%20in%20Formamide%20and%20Related%20Structures%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Piotr%22%2C%22lastName%22%3A%22Ordon%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Jaros%5Cu0142aw%22%2C%22lastName%22%3A%22Zaklika%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Mateusz%22%2C%22lastName%22%3A%22J%5Cu0119drzejewski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Ludwik%22%2C%22lastName%22%3A%22Komorowski%22%7D%5D%2C%22abstractNote%22%3A%22Computational%20scheme%20to%20obtain%20bond%20softening%20index%20%5Cu03bb%2C%20defined%20within%20the%20conceptual%20DFT%2C%20has%20been%20obtained%20with%20the%20use%20of%20the%20reaction%20fragility%20%28RF%29%20concept.%20Numerical%20results%20were%20obtained%20with%20the%20RF%20spectra%20for%20the%20proton%20transfer%20reaction%20in%20formamide%20molecule%20%28H2NCHO%29%20and%20the%20water%20assisted%20proton%20migration%20in%20H2NCHO%5Cu00b7H2O%20complex.%20Double%20proton%20transfer%20reaction%20in%20the%20formamide%20dimer%2C%20%28H2NCHO%292%2C%20and%20its%20analogues%2C%20%28H2NCHS%292%20and%20%28H2NCHO%29%5Cu00b7%28H2NCHS%29%2C%20have%20also%20been%20studied.%20The%20atomic%20and%20bond%20RF%20spectra%20clearly%20describe%20the%20density%20reorganization%20in%20the%20backbone%20of%20each%20molecule%2C%20resulting%20from%20proton%20displacement%20in%20the%20systems.%20The%20obtained%20softening%20indices%20have%20been%20calculated%20for%20hydrogen%20atoms%20in%20the%20reactant%20state%20%28RS%29%20and%20product%20state%20%28PS%29%20configuration.%20These%20indices%20provide%20fine%20characteristics%20for%20the%20local%20sensitivity%20of%20the%20reacting%20system%20to%20a%20disturbance%20of%20the%20position%20of%20a%20chosen%20atom.%22%2C%22date%22%3A%222020-01-16%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1021%5C%2Facs.jpca.9b09426%22%2C%22ISSN%22%3A%221089-5639%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facs.jpca.9b09426%22%2C%22collections%22%3A%5B%22QLHX9TQJ%22%2C%22QKBMCJZP%22%5D%2C%22dateModified%22%3A%222020-06-06T19%3A06%3A08Z%22%7D%7D%2C%7B%22key%22%3A%228ARIPYAC%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Schmidt-Engler%20et%20al.%22%2C%22parsedDate%22%3A%222020-01-07%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EJ.%20M.%20Schmidt-Engler%2C%20L.%20Blankenburg%2C%20B.%20B%5Cu0142asiak%2C%20L.%20J.%20G.%20W.%20van%20Wilderen%2C%20M.%20Cho%20and%20J.%20Bredenbeck%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facs.analchem.9b03997%27%3EVibrational%20Lifetime%20of%20the%20SCN%20Protein%20Label%20in%20H2O%20and%20D2O%20Reports%20Site-Specific%20Solvation%20and%20Structure%20Changes%20During%20PYP%27s%20Photocycle%3C%5C%2Fa%3E%2C%20%3Ci%3EAnal.%20Chem.%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E92%3C%5C%2Fb%3E%2C%201024%5Cu20131032.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3D8ARIPYAC%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Vibrational%20Lifetime%20of%20the%20SCN%20Protein%20Label%20in%20H2O%20and%20D2O%20Reports%20Site-Specific%20Solvation%20and%20Structure%20Changes%20During%20PYP%27s%20Photocycle%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Julian%20M.%22%2C%22lastName%22%3A%22Schmidt-Engler%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Larissa%22%2C%22lastName%22%3A%22Blankenburg%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Bartosz%22%2C%22lastName%22%3A%22B%5Cu0142asiak%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Luuk%20J.%20G.%20W.%22%2C%22lastName%22%3A%22van%20Wilderen%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Minhaeng%22%2C%22lastName%22%3A%22Cho%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Jens%22%2C%22lastName%22%3A%22Bredenbeck%22%7D%5D%2C%22abstractNote%22%3A%22The%20application%20of%20vibrational%20labels%20such%20as%20thiocyanate%20%5Cu202f%28%5Cu2212S%5Cu2212C%5Cu2261N%29%20for%20studying%20protein%20structure%20and%20dynamics%20is%20thriving.%20Absorption%20spectroscopy%20is%20usually%20employed%20to%20obtain%20wavenumber%20and%20line%20shape%20of%20the%20label.%20An%20observable%20of%20great%20significance%20might%20be%20the%20vibrational%20lifetime%2C%20which%20can%20be%20obtained%20by%20pump%20probe%20or%202D-IR%20spectroscopy.%20Due%20to%20the%20insulating%20effect%20of%20the%20heavy%20sulfur%20atom%20in%20the%20case%20of%20the%20SCN%20label%2C%20the%20lifetime%20of%20the%20C%5Cu2261N%20oscillator%20is%20expected%20to%20be%20particularly%20sensitive%20to%20its%20surrounding%20as%20it%20is%20not%20dominated%20by%20through-bond%20relaxation.%20We%20therefore%20investigate%20the%20vibrational%20lifetime%20of%20the%20SCN%20label%20at%20various%20positions%20in%20the%20blue%20light%20sensor%20protein%20Photoactive%20Yellow%20Protein%20%28PYP%29%20in%20the%20ground%20state%20and%20signaling%20state%20of%20the%20photoreceptor.%20We%20find%20that%20the%20vibrational%20lifetime%20of%20the%20C%5Cu2261N%20stretching%20mode%20is%20strongly%20affected%20both%20by%20its%20protein%20environment%20and%20by%20the%20degree%20of%20exposure%20to%20the%20solvent.%20Even%20for%20label%20positions%20where%20the%20line%20shape%20and%20wavenumber%20observed%20by%20FTIR%20are%20barely%20changing%20upon%20activation%20of%20the%20photoreceptor%2C%20we%20find%20that%20the%20lifetime%20can%20change%20considerably.%20To%20obtain%20an%20unambiguous%20measure%20for%20the%20solvent%20exposure%20of%20the%20labeled%20site%2C%20we%20show%20that%20it%20is%20imperative%20to%20compare%20the%20lifetimes%20in%20H2O%20and%20D2O.%20Importantly%2C%20the%20lifetimes%20shorten%20in%20H2O%20as%20compared%20to%20D2O%20for%20water%20exposed%20labels%2C%20while%20they%20stay%20largely%20the%20same%20for%20buried%20labels.%20We%20quantify%20this%20effect%20by%20defining%20a%20solvent%20exclusion%20coefficient%20%28SEC%29.%20The%20response%20of%20the%20label%5Cu2019s%20vibrational%20lifetime%20to%20its%20solvent%20exposure%20renders%20it%20a%20suitable%20universal%20probe%20for%20protein%20investigations.%20This%20applies%20even%20to%20systems%20that%20are%20otherwise%20hard%20to%20address%2C%20such%20as%20transient%20or%20short-lived%20states%2C%20which%20could%20be%20created%20during%20a%20protein%5Cu2019s%20working%20cycle%20%28as%20here%20in%20PYP%29%20or%20during%20protein%20folding.%20It%20is%20also%20applicable%20to%20flexible%20systems%20%28intrinsically%20disordered%20proteins%29%2C%20protein%5Cu2013protein%20and%20protein%5Cu2013membrane%20interactions.%22%2C%22date%22%3A%222020-01-07%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1021%5C%2Facs.analchem.9b03997%22%2C%22ISSN%22%3A%220003-2700%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facs.analchem.9b03997%22%2C%22collections%22%3A%5B%22G7JK5GGK%22%5D%2C%22dateModified%22%3A%222021-01-29T08%3A08%3A00Z%22%7D%7D%2C%7B%22key%22%3A%22VQKF76WJ%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Samadaei%20et%20al.%22%2C%22parsedDate%22%3A%222020-01%22%2C%22numChildren%22%3A2%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EM.%20Samadaei%2C%20M.%20Pinter%2C%20D.%20Senfter%2C%20S.%20Madlener%2C%20N.%20Rohr-Udilova%2C%20D.%20Iwan%2C%20K.%20Kami%5Cu0144ska%2C%20E.%20Wojaczy%5Cu0144ska%2C%20J.%20Wojaczy%5Cu0144ski%20and%20A.%20Kochel%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fwww.mdpi.com%5C%2F1420-3049%5C%2F25%5C%2F10%5C%2F2355%27%3ESynthesis%20and%20Cytotoxic%20Activity%20of%20Chiral%20Sulfonamides%20Based%20on%20the%202-Azabicycloalkane%20Skeleton%3C%5C%2Fa%3E%2C%20%3Ci%3EMolecules%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E25%3C%5C%2Fb%3E%2C%202355.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DVQKF76WJ%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Synthesis%20and%20Cytotoxic%20Activity%20of%20Chiral%20Sulfonamides%20Based%20on%20the%202-Azabicycloalkane%20Skeleton%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Mahzeiar%22%2C%22lastName%22%3A%22Samadaei%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Matthias%22%2C%22lastName%22%3A%22Pinter%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Daniel%22%2C%22lastName%22%3A%22Senfter%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Sibylle%22%2C%22lastName%22%3A%22Madlener%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Nataliya%22%2C%22lastName%22%3A%22Rohr-Udilova%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Dominika%22%2C%22lastName%22%3A%22Iwan%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Karolina%22%2C%22lastName%22%3A%22Kami%5Cu0144ska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22El%5Cu017cbieta%22%2C%22lastName%22%3A%22Wojaczy%5Cu0144ska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Jacek%22%2C%22lastName%22%3A%22Wojaczy%5Cu0144ski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Andrzej%22%2C%22lastName%22%3A%22Kochel%22%7D%5D%2C%22abstractNote%22%3A%22A%20series%20of%20chiral%20sulfonamides%20containing%20the%202-azabicycloalkane%20scaffold%20were%20prepared%20from%20aza-Diels%26ndash%3BAlder%20cycloadducts%20through%20their%20conversion%20to%20amines%20based%20on%202-azanorbornane%20or%20the%20bridged%20azepane%20skeleton%2C%20followed%20by%20the%20reaction%20with%20sulfonyl%20chlorides.%20The%20cytotoxic%20activity%20of%20the%20obtained%20bicyclic%20derivatives%20was%20evaluated%20using%20human%20hepatocellular%20carcinoma%20%28HCC%29%2C%20medulloblastoma%20%28MB%29%2C%20and%20glioblastoma%20%28GBM%29%20cell%20lines.%20Chosen%20compounds%20were%20shown%20to%20notably%20reduce%20cell%20viability%20as%20compared%20to%20nonmalignant%20cells.%22%2C%22date%22%3A%222020%5C%2F1%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.3390%5C%2Fmolecules25102355%22%2C%22ISSN%22%3A%22%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fwww.mdpi.com%5C%2F1420-3049%5C%2F25%5C%2F10%5C%2F2355%22%2C%22collections%22%3A%5B%22QLHX9TQJ%22%5D%2C%22dateModified%22%3A%222020-06-07T11%3A22%3A06Z%22%7D%7D%2C%7B%22key%22%3A%22DANB3K3E%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Iwanejko%20et%20al.%22%2C%22parsedDate%22%3A%222020-01%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EJ.%20Iwanejko%2C%20E.%20Wojaczy%5Cu0144ska%2C%20E.%20Turlej%2C%20M.%20Maciejewska%20and%20J.%20Wietrzyk%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fwww.mdpi.com%5C%2F1996-1944%5C%2F13%5C%2F10%5C%2F2393%27%3EOctahydroquinoxalin-2%281H%29-One-Based%20Aminophosphonic%20Acids%20and%20Their%20Derivatives%5Cu2014Biological%20Activity%20towards%20Cancer%20Cells%3C%5C%2Fa%3E%2C%20%3Ci%3EMaterials%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E13%3C%5C%2Fb%3E%2C%202393.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DDANB3K3E%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Octahydroquinoxalin-2%281H%29-One-Based%20Aminophosphonic%20Acids%20and%20Their%20Derivatives%5Cu2014Biological%20Activity%20towards%20Cancer%20Cells%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Jakub%22%2C%22lastName%22%3A%22Iwanejko%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22El%5Cu017cbieta%22%2C%22lastName%22%3A%22Wojaczy%5Cu0144ska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Eliza%22%2C%22lastName%22%3A%22Turlej%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Magdalena%22%2C%22lastName%22%3A%22Maciejewska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Joanna%22%2C%22lastName%22%3A%22Wietrzyk%22%7D%5D%2C%22abstractNote%22%3A%22In%20the%20search%20for%20new%20antitumor%20agents%2C%20aminophosphonic%20acids%20and%20their%20derivatives%20based%20on%20octahydroquinoxalin-2%281H%29-one%20scaffold%20were%20obtained%20and%20their%20cytotoxic%20properties%20and%20a%20mechanism%20of%20action%20were%20evaluated.%20Phosphonic%20acid%20and%20phosphonate%20moieties%20increased%20the%20antiproliferative%20activity%20in%20comparison%20to%20phenolic%20Mannich%20bases%20previously%20reported.%20Most%20of%20the%20obtained%20compounds%20revealed%20a%20strong%20antiproliferative%20effect%20against%20leukemia%20cell%20line%20%28MV-4-11%29%20with%20simultaneous%20low%20cytotoxicity%20against%20normal%20cell%20line%20%28mouse%20fibroblasts-BALB%5C%2F3T3%29.%20The%20most%20active%20compound%20was%20diphenyl-%5B%281R%2C6R%29-3-oxo-2%2C5-diazabicyclo%5B4.4.0%5Ddec-4-yl%5Dphosphonate.%20Preliminary%20evaluation%20of%20the%20mechanism%20of%20action%20showed%20the%20proapoptotic%20effect%20associated%20with%20caspase%203%5C%2F7%20induction.%22%2C%22date%22%3A%222020%5C%2F1%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.3390%5C%2Fma13102393%22%2C%22ISSN%22%3A%22%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fwww.mdpi.com%5C%2F1996-1944%5C%2F13%5C%2F10%5C%2F2393%22%2C%22collections%22%3A%5B%22QLHX9TQJ%22%5D%2C%22dateModified%22%3A%222020-05-29T11%3A09%3A07Z%22%7D%7D%2C%7B%22key%22%3A%22UVZFFWX6%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Szkaradek%20et%20al.%22%2C%22parsedDate%22%3A%222020%22%2C%22numChildren%22%3A0%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EK.%20E.%20Szkaradek%2C%20P.%20Stadlbauer%2C%20J.%20%5Cu0160poner%2C%20R.%20W.%20G%5Cu00f3ra%20and%20R.%20Szabla%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fpubs.rsc.org%5C%2Fen%5C%2Fcontent%5C%2Farticlelanding%5C%2F2020%5C%2Fcc%5C%2Fc9cc06180k%27%3EUV-induced%20hydrogen%20transfer%20in%20DNA%20base%20pairs%20promoted%20by%20dark%20n%5Cu03c0%2A%20states%3C%5C%2Fa%3E%2C%20%3Ci%3EChem.%20Commun.%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E56%3C%5C%2Fb%3E%2C%20201%5Cu2013204.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DUVZFFWX6%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22UV-induced%20hydrogen%20transfer%20in%20DNA%20base%20pairs%20promoted%20by%20dark%20n%5Cu03c0%2A%20states%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Kinga%20E.%22%2C%22lastName%22%3A%22Szkaradek%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Petr%22%2C%22lastName%22%3A%22Stadlbauer%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Ji%5Cu0159%5Cu00ed%22%2C%22lastName%22%3A%22%5Cu0160poner%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Robert%20W.%22%2C%22lastName%22%3A%22G%5Cu00f3ra%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Rafa%5Cu0142%22%2C%22lastName%22%3A%22Szabla%22%7D%5D%2C%22abstractNote%22%3A%22Dark%20n%5Cu03c0%2A%20states%20were%20shown%20to%20have%20substantial%20contribution%20to%20the%20destructive%20photochemistry%20of%20pyrimidine%20nucleobases.%20Based%20on%20quantum-chemical%20calculations%2C%20we%20demonstrate%20that%20the%20characteristic%20hydrogen%20bonding%20pattern%20of%20the%20GC%20base%20pair%20could%20facilitate%20the%20formation%20of%20a%20wobble%20excited-state%20charge-transfer%20complex.%20This%20entails%20a%20barrierless%20electron-driven%20proton%20transfer%20%28EDPT%29%20process%20which%20enables%20damageless%20photodeactivation%20of%20the%20base%20pair.%20These%20photostabilizing%20properties%20are%20retained%20even%20when%20guanine%20is%20exchanged%20to%20hypoxanthine.%20The%20inaccessibility%20of%20this%20process%20in%20the%20AT%20base%20pair%20sheds%20further%20light%20on%20the%20reasons%20why%20cytosine%20is%20less%20susceptible%20to%20the%20formation%20of%20photodimers%20in%20double-stranded%20DNA.%22%2C%22date%22%3A%222020%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1039%5C%2FC9CC06180K%22%2C%22ISSN%22%3A%221364-548X%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fpubs.rsc.org%5C%2Fen%5C%2Fcontent%5C%2Farticlelanding%5C%2F2020%5C%2Fcc%5C%2Fc9cc06180k%22%2C%22collections%22%3A%5B%22K3KTV3GZ%22%2C%22V54TBHKX%22%5D%2C%22dateModified%22%3A%222021-04-03T10%3A03%3A36Z%22%7D%7D%2C%7B%22key%22%3A%22VG3W8883%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Medved%27%20et%20al.%22%2C%22parsedDate%22%3A%222020%22%2C%22numChildren%22%3A0%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EM.%20Medved%27%2C%20A.%20Iglesias-Reguant%2C%20H.%20Reis%2C%20R.%20W.%20G%5Cu00f3ra%2C%20J.%20M.%20Luis%20and%20R.%20Zale%5Cu015bny%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27http%3A%5C%2F%5C%2Fxlink.rsc.org%5C%2F%3FDOI%3DC9CP06620A%27%3EPartitioning%20of%20interaction-induced%20nonlinear%20optical%20properties%20of%20molecular%20complexes.%20II.%20Halogen-bonded%20systems%3C%5C%2Fa%3E%2C%20%3Ci%3EPhys.%20Chem.%20Chem.%20Phys.%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E22%3C%5C%2Fb%3E%2C%204225%5Cu20134234.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DVG3W8883%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Partitioning%20of%20interaction-induced%20nonlinear%20optical%20properties%20of%20molecular%20complexes.%20II.%20Halogen-bonded%20systems%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Miroslav%22%2C%22lastName%22%3A%22Medved%27%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Alex%22%2C%22lastName%22%3A%22Iglesias-Reguant%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Heribert%22%2C%22lastName%22%3A%22Reis%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Robert%20W.%22%2C%22lastName%22%3A%22G%5Cu00f3ra%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Josep%20M.%22%2C%22lastName%22%3A%22Luis%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Robert%22%2C%22lastName%22%3A%22Zale%5Cu015bny%22%7D%5D%2C%22abstractNote%22%3A%22%22%2C%22date%22%3A%222020%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1039%5C%2FC9CP06620A%22%2C%22ISSN%22%3A%221463-9076%2C%201463-9084%22%2C%22url%22%3A%22http%3A%5C%2F%5C%2Fxlink.rsc.org%5C%2F%3FDOI%3DC9CP06620A%22%2C%22collections%22%3A%5B%22K3KTV3GZ%22%5D%2C%22dateModified%22%3A%222021-04-03T10%3A03%3A37Z%22%7D%7D%2C%7B%22key%22%3A%226YHZA6CY%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Olejnik%20et%20al.%22%2C%22parsedDate%22%3A%222020%22%2C%22numChildren%22%3A2%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%20%20%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EO.%20Olejnik%2C%20A.%20Masek%20and%20A.%20Kiersnowski%2C%20Thermal%20analysis%20of%20aliphatic%20polyester%20blends%20with%20natural%20antioxidants%2C%20%3Ci%3EPolymers%3C%5C%2Fi%3E%2C%20%2C%20DOI%3A10.3390%5C%2Fpolym12010074.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3D6YHZA6CY%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Thermal%20analysis%20of%20aliphatic%20polyester%20blends%20with%20natural%20antioxidants%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22O.%22%2C%22lastName%22%3A%22Olejnik%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22A.%22%2C%22lastName%22%3A%22Masek%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22A.%22%2C%22lastName%22%3A%22Kiersnowski%22%7D%5D%2C%22abstractNote%22%3A%22The%20aim%20of%20this%20research%20was%20to%20enhance%20thermal%20stability%20of%20aliphatic%20polyester%20blends%20via%20incorporation%20of%20selected%20natural%20antioxidants%20of%20plant%20origin.%20Thermal%20methods%20of%20analysis%2C%20including%20differential%20scanning%20calorimetry%20%28DSC%29%20and%20thermogravimetry%20%28TGA%29%2C%20are%20significant%20tools%20for%20estimating%20the%20stabilization%20effect%20of%20polyphenols%20in%20a%20polymer%20matrix.%20Thermal%20stability%20was%20determined%20by%20analyzing%20thermogravimetric%20curves.%20Polymers%20with%20selected%20antioxidants%20degraded%20more%20slowly%20with%20rising%20temperature%20in%20comparison%20to%20reference%20samples%20without%20additives.%20This%20property%20was%20also%20confirmed%20by%20results%20obtained%20from%20differential%20scanning%20calorimetry%20%28DSC%29%2C%20where%20the%20difference%20between%20the%20oxidation%20temperatures%20of%20pure%20material%20and%20polymer%20with%20natural%20stabilizers%20was%20observed.%20According%20to%20the%20results%2C%20the%20materials%20with%20selected%20antioxidants%2C%20including%20trans-chalcone%2C%20flavone%20and%20lignin%20have%20higher%20oxidation%20temperature%20than%20the%20pure%20ones%2C%20which%20confirms%20that%20chosen%20phytochemicals%20protect%20polymers%20from%20oxidation.%20Moreover%2C%20based%20on%20the%20colour%20change%20results%20or%20FT-IR%20spectra%20analysis%2C%20some%20of%20the%20selected%20antioxidants%2C%20including%20lignin%20and%20trans-chalcone%2C%20can%20be%20utilized%20as%20colorants%20or%20aging%20indicators.%20Taking%20into%20account%20the%20data%20obtained%2C%20naturally%20occurring%20antioxidants%2C%20including%20polyphenols%2C%20can%20be%20applied%20as%20versatile%20pro-ecological%20additives%20for%20biodegradable%20and%20bio-based%20aliphatic%20polyesters%20to%20obtain%20fully%20environmentally%20friendly%20materials%20dedicated%20for%20packaging%20industry.%20%5Cu00a9%202020%20by%20the%20authors.%22%2C%22date%22%3A%222020%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.3390%5C%2Fpolym12010074%22%2C%22ISSN%22%3A%22%22%2C%22url%22%3A%22%22%2C%22collections%22%3A%5B%5D%2C%22dateModified%22%3A%222020-06-07T11%3A25%3A19Z%22%7D%7D%2C%7B%22key%22%3A%22LFN6ARYI%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Lim%20et%20al.%22%2C%22parsedDate%22%3A%222020%22%2C%22numChildren%22%3A2%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EC.-K.%20Lim%2C%20M.%20Maldonado%2C%20R.%20Zalesny%2C%20R.%20Valiev%2C%20H.%20%5Cu00c5gren%2C%20A.%20S.%20L.%20Gomes%2C%20J.%20Jiang%2C%20R.%20Pachter%20and%20P.%20N.%20Prasad%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fonlinelibrary.wiley.com%5C%2Fdoi%5C%2Fabs%5C%2F10.1002%5C%2Fadfm.201909375%27%3EInterlayer-Sensitized%20Linear%20and%20Nonlinear%20Photoluminescence%20of%20Quasi-2D%20Hybrid%20Perovskites%20Using%20Aggregation-Induced%20Enhanced%20Emission%20Active%20Organic%20Cation%20Layers%3C%5C%2Fa%3E%2C%20%3Ci%3EAdvanced%20Functional%20Materials%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E30%3C%5C%2Fb%3E%2C%201909375.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DLFN6ARYI%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Interlayer-Sensitized%20Linear%20and%20Nonlinear%20Photoluminescence%20of%20Quasi-2D%20Hybrid%20Perovskites%20Using%20Aggregation-Induced%20Enhanced%20Emission%20Active%20Organic%20Cation%20Layers%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Chang-Keun%22%2C%22lastName%22%3A%22Lim%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Melissa%22%2C%22lastName%22%3A%22Maldonado%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Robert%22%2C%22lastName%22%3A%22Zalesny%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Rashid%22%2C%22lastName%22%3A%22Valiev%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Hans%22%2C%22lastName%22%3A%22%5Cu00c5gren%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Anderson%20S.%20L.%22%2C%22lastName%22%3A%22Gomes%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Jie%22%2C%22lastName%22%3A%22Jiang%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Ruth%22%2C%22lastName%22%3A%22Pachter%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Paras%20N.%22%2C%22lastName%22%3A%22Prasad%22%7D%5D%2C%22abstractNote%22%3A%22A%20concept%20of%20interlayer-sensitized%20photoluminescence%20%28PL%29%20of%20quasi-2D%20hybrid%20perovskite%20%28PVK%29%20with%20a%20%5Cu03c0-conjugated%20optically%20interacting%20organic%20cation%20layer%20is%20introduced%20and%20demonstrated.%20A%20rod-shaped%20aggregation-induced%20enhanced%20emission%20%28AIEE%29%20organic%20cation%20%28BPCSA%2B%29%2C%20well%20fitted%20into%20the%20lattice%20size%20of%202D%20PVK%20layers%2C%20is%20designed%20and%20synthesized%20to%20prolong%20the%20exciton%20lifetime%20in%20a%20condensed%20layer%20assembly%20in%20the%20PVK.%20The%20BPCSA%2B%20promotes%20the%20PL%20of%20this%20hybrid%20PVK%20up%20to%2010-folds%20from%20that%20of%20a%20non-%5Cu03c0-conjugated%20organic%20cation%20%28OA%29%202D%20PVK.%20Notably%2C%20different%20from%20PL%20of%20OA%202D%20PVK%2C%20the%20increased%20PL%20intensity%20of%20BPCSA%202D%20PVKs%20with%20an%20increase%20of%20the%20BPCSA%20ratio%20in%20the%20PVK%20indicates%20a%20critical%20photon-harvesting%20contribution%20of%20BPCSA.%20The%20films%20of%20BPCSA%202D%20PVKs%20are%20incredibly%20stable%20in%20ambient%20environments%20for%20more%20than%204%20months%20and%20even%20upon%20direct%20contact%20with%20water.%20Additionally%2C%20due%20to%20the%20strong%20two-photon%20absorption%20property%20of%20BPCSA%2C%20the%20BPCSA%202D%20PVK%20displays%20superior%20emission%20properties%20upon%20two-photon%20excitation%20with%20a%20short%20wavelength%20IR%20laser.%20Thus%2C%20the%20AIEE%20sensitization%20system%20for%20quasi-2D%20PVK%20hybrid%20system%20can%20make%20a%20drastic%20improvement%20in%20performance%20as%20well%20as%20in%20the%20stability%20of%20the%20PVK%20emitter%20and%20PVK%20based%20nonlinear%20optical%20devices.%22%2C%22date%22%3A%222020%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1002%5C%2Fadfm.201909375%22%2C%22ISSN%22%3A%221616-3028%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fonlinelibrary.wiley.com%5C%2Fdoi%5C%2Fabs%5C%2F10.1002%5C%2Fadfm.201909375%22%2C%22collections%22%3A%5B%22QLHX9TQJ%22%2C%22EWMA97QD%22%2C%22XC9PPQHC%22%5D%2C%22dateModified%22%3A%222020-06-30T16%3A46%3A29Z%22%7D%7D%2C%7B%22key%22%3A%22MVHI89EQ%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Moshkina%20et%20al.%22%2C%22parsedDate%22%3A%222020%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3ET.%20N.%20Moshkina%2C%20E.%20V.%20Nosova%2C%20A.%20E.%20Kopotilova%2C%20G.%20N.%20Lipunova%2C%20M.%20S.%20Valova%2C%20L.%20K.%20Sadieva%2C%20D.%20S.%20Kopchuk%2C%20P.%20A.%20Slepukhin%2C%20R.%20Zale%5Cu015bny%2C%20B.%20O%5Cu015bmia%5Cu0142owski%20and%20V.%20N.%20Charushin%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fonlinelibrary.wiley.com%5C%2Fdoi%5C%2Fabs%5C%2F10.1002%5C%2Fajoc.202000038%27%3ESynthesis%20and%20Photophysical%20Studies%20of%20Novel%20V-Shaped%202%2C3-Bis5-aryl-2-thienyl%28dibenzo%5Bf%2Ch%5D%29quinoxalines%3C%5C%2Fa%3E%2C%20%3Ci%3EAsian%20Journal%20of%20Organic%20Chemistry%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E9%3C%5C%2Fb%3E%2C%20673%5Cu2013681.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DMVHI89EQ%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Synthesis%20and%20Photophysical%20Studies%20of%20Novel%20V-Shaped%202%2C3-Bis5-aryl-2-thienyl%28dibenzo%5Bf%2Ch%5D%29quinoxalines%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Tatyana%20N.%22%2C%22lastName%22%3A%22Moshkina%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Emiliya%20V.%22%2C%22lastName%22%3A%22Nosova%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Alexandra%20E.%22%2C%22lastName%22%3A%22Kopotilova%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Galina%20N.%22%2C%22lastName%22%3A%22Lipunova%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Marina%20S.%22%2C%22lastName%22%3A%22Valova%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Leila%20K.%22%2C%22lastName%22%3A%22Sadieva%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Dmitry%20S.%22%2C%22lastName%22%3A%22Kopchuk%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Pavel%20A.%22%2C%22lastName%22%3A%22Slepukhin%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Robert%22%2C%22lastName%22%3A%22Zale%5Cu015bny%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Borys%22%2C%22lastName%22%3A%22O%5Cu015bmia%5Cu0142owski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Valery%20N.%22%2C%22lastName%22%3A%22Charushin%22%7D%5D%2C%22abstractNote%22%3A%22A%20series%20of%20novel%20V-shaped%20luminophores%20containing%20electron-withdrawing%20dibenzo%5Bf%2Ch%5Dquinoxaline%20core%20and%20arylthienyl%20donor%20fragments%20at%20positions%202%20and%203%20has%20been%20synthesized.%20The%20absorption%20spectra%20%28UV%5C%2Fvis%29%20were%20recorded%20in%20several%20solvents%2C%20whereas%20emission%20spectra%20were%20recorded%20in%20solutions%20and%20powders.%20The%20solvatochromism%20as%20well%20as%20halochromism%20of%20obtained%20compounds%20was%20also%20explored.%20Electronic-structure%20calculations%20using%20quantum-chemistry%20methods%20were%20performed%20to%20further%20analyse%20experimental%20results.%20All%20characteristics%20were%20compared%20with%20that%20of%202%2C3-bis%28arylthienyl%29quinoxaline%20counterparts.%20The%20halochromic%20effect%20studies%20showed%20that%20upon%20gradual%20addition%20of%20trifluoroacetic%20acid%20%28TFA%29%20to%20the%20toluene%20solution%20of%20diethylaminophenyl-substituted%20dibenzo%5Bf%2Ch%5Dquinoxaline%20chromophore%2C%20absorption%20and%20emission%20changed.%20Observed%20band%20shifts%20were%20more%20distinct%20in%20the%20case%20of%20mentioned%20quinoxaline%20than%20for%20other%20derivatives.%20All%20of%20the%20%28dibenzo%5Bf%2Ch%5D%29quinoxaline%20chromophores%20exhibited%20good%20sensitivity%20toward%20nitro-containing%20explosives%20with%20high%20Stern-Volmer%20constants%20up%20to%2057800%20M%5Cu22121%2C%20these%20results%20are%20remarkable%20for%20such%20heterocyclic%20systems.%22%2C%22date%22%3A%222020%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1002%5C%2Fajoc.202000038%22%2C%22ISSN%22%3A%222193-5815%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fonlinelibrary.wiley.com%5C%2Fdoi%5C%2Fabs%5C%2F10.1002%5C%2Fajoc.202000038%22%2C%22collections%22%3A%5B%22QLHX9TQJ%22%2C%22EWMA97QD%22%5D%2C%22dateModified%22%3A%222020-06-30T16%3A39%3A01Z%22%7D%7D%2C%7B%22key%22%3A%22Z7BBJFH2%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Wojaczy%5Cu0144ska%20and%20Wojaczy%5Cu0144ski%22%2C%22parsedDate%22%3A%222020%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%20%20%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EE.%20Wojaczy%26%23x144%3Bska%20and%20J.%20Wojaczy%26%23x144%3Bski%2C%20Modern%20Stereoselective%20Synthesis%20of%20Chiral%20Sulfinyl%20Compounds%2C%20%3Ci%3EChemical%20Reviews%3C%5C%2Fi%3E%2C%20%2C%20DOI%3A10.1021%5C%2Facs.chemrev.0c00002.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DZ7BBJFH2%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Modern%20Stereoselective%20Synthesis%20of%20Chiral%20Sulfinyl%20Compounds%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22E.%22%2C%22lastName%22%3A%22Wojaczy%5Cu0144ska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22J.%22%2C%22lastName%22%3A%22Wojaczy%5Cu0144ski%22%7D%5D%2C%22abstractNote%22%3A%22Chiral%20sulfinyl%20compounds%2C%20sulfoxides%2C%20sulfoximines%2C%20sulfinamides%2C%20and%20other%20derivatives%2C%20play%20an%20important%20role%20in%20asymmetric%20synthesis%20as%20versatile%20auxiliaries%2C%20ligands%2C%20and%20catalysts.%20They%20are%20also%20recognized%20as%20pharmacophores%20found%20in%20already%20marketed%20and%20well-sold%20drugs%20%28e.g.%2C%20esomeprazole%29%20and%20used%20in%20drug%20design.%20This%20review%20is%20devoted%20to%20the%20modern%20methods%20of%20preparation%20of%20sulfinyl%20derivatives%20in%20enantiopure%20or%20enantiomerically%20enriched%20form.%20Selected%20new%20approaches%20leading%20to%20racemic%20products%20for%20which%20the%20asymmetric%20variant%20can%20be%20developed%20in%20the%20future%20are%20mentioned%20as%20well.%20Copyright%20%5Cu00a9%202020%20American%20Chemical%20Society.%22%2C%22date%22%3A%222020%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1021%5C%2Facs.chemrev.0c00002%22%2C%22ISSN%22%3A%22%22%2C%22url%22%3A%22%22%2C%22collections%22%3A%5B%5D%2C%22dateModified%22%3A%222020-06-07T11%3A20%3A47Z%22%7D%7D%2C%7B%22key%22%3A%223AQHJTVW%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Steppeler%20et%20al.%22%2C%22parsedDate%22%3A%222020%22%2C%22numChildren%22%3A2%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%20%20%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EF.%20Steppeler%2C%20D.%20Iwan%2C%20E.%20Wojaczy%26%23x144%3Bska%20and%20J.%20Wojaczy%26%23x144%3Bski%2C%20Chiral%20thioureas-preparation%20and%20significance%20in%20asymmetric%20synthesis%20and%20medicinal%20chemistry%2C%20%3Ci%3EMolecules%3C%5C%2Fi%3E%2C%20%2C%20DOI%3A10.3390%5C%2Fmolecules25020401.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3D3AQHJTVW%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Chiral%20thioureas-preparation%20and%20significance%20in%20asymmetric%20synthesis%20and%20medicinal%20chemistry%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22F.%22%2C%22lastName%22%3A%22Steppeler%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22D.%22%2C%22lastName%22%3A%22Iwan%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22E.%22%2C%22lastName%22%3A%22Wojaczy%5Cu0144ska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22J.%22%2C%22lastName%22%3A%22Wojaczy%5Cu0144ski%22%7D%5D%2C%22abstractNote%22%3A%22For%20almost%2020%20years%2C%20thioureas%20have%20been%20experiencing%20a%20renaissance%20of%20interest%20with%20the%20emerged%20development%20of%20asymmetric%20organocatalysts.%20Due%20to%20their%20relatively%20high%20acidity%20and%20strong%20hydrogen%20bond%20donor%20capability%2C%20they%20differ%20significantly%20from%20ureas%20and%20offer%2C%20appropriately%20modified%2C%20great%20potential%20as%20organocatalysts%2C%20chelators%2C%20drug%20candidates%2C%20etc.%20The%20review%20focuses%20on%20the%20family%20of%20chiral%20thioureas%2C%20presenting%20an%20overview%20of%20the%20current%20state%20of%20knowledge%20on%20their%20synthesis%20and%20selected%20applications%20in%20stereoselective%20synthesis%20and%20drug%20development.%20%5Cu00a9%202020%20by%20the%20authors.%20Licensee%20MDPI%2C%20Basel%2C%20Switzerland.%20This%20article%20is%20an%20open%20access%20article%20distributed%20under%20the%20terms%20and%20conditions%20of%20the%20Creative%20Commons%20Attribution%20%28CC%20BY%29%20license%20%28http%3A%5C%2F%5C%2Fcreativecommons.org%5C%2Flicenses%5C%2Fby%5C%2F4.0%5C%2F%29.%22%2C%22date%22%3A%222020%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.3390%5C%2Fmolecules25020401%22%2C%22ISSN%22%3A%22%22%2C%22url%22%3A%22%22%2C%22collections%22%3A%5B%5D%2C%22dateModified%22%3A%222020-06-07T11%3A20%3A47Z%22%7D%7D%2C%7B%22key%22%3A%22RGCMYN7Y%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Majumdar%20et%20al.%22%2C%22parsedDate%22%3A%222020%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%20%20%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3ED.%20Majumdar%2C%20P.%20N.%20Samanta%2C%20S.%20Roszak%2C%20M.%20T.%20Nguyen%20and%20J.%20Leszczynski%2C%20Jahn-Teller%20and%20Pseudo%20Jahn-Teller%20Effects%3A%20Influences%20on%20the%20Electronic%20Structures%20of%20Small%20Transition%2C%20Main%20Group%20and%20Mixed%20Metal%20Clusters%2C%20%3Ci%3EStructural%20Chemistry%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E31%3C%5C%2Fb%3E%2C%207%26%23x2013%3B23.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DRGCMYN7Y%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Jahn-Teller%20and%20Pseudo%20Jahn-Teller%20Effects%3A%20Influences%20on%20the%20Electronic%20Structures%20of%20Small%20Transition%2C%20Main%20Group%20and%20Mixed%20Metal%20Clusters%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22D.%22%2C%22lastName%22%3A%22Majumdar%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22P.N.%22%2C%22lastName%22%3A%22Samanta%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22S.%22%2C%22lastName%22%3A%22Roszak%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22M.T.%22%2C%22lastName%22%3A%22Nguyen%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22J.%22%2C%22lastName%22%3A%22Leszczynski%22%7D%5D%2C%22abstractNote%22%3A%22The%20present%20review%20article%20focuses%20on%20the%20impact%20of%20the%20Jahn-Teller%20effect%20%28JTE%29%20including%20hidden%20JTE%20and%20pseudo%20JTE%20on%20the%20ground%20and%20low-lying%20electronic%20structures%20of%20small%20transition%2C%20main%20group%2C%20and%20mixed%20metal%20clusters.%20The%20discussions%20are%20based%20on%20the%20results%20acquired%20from%20the%20quantum%20chemical%20analysis%20involving%20complete%20active%20space%20multiconfiguration%20self-consistent%20field%20%28CASMCSCF%20or%20CASSCF%29%20together%20with%20multireference%20singles%20and%20doubles%20configuration%20interaction%20%28MRSDCI%29%20theories.%20Related%20computational%20results%20from%20density%20functional%20%28DFT%29%20and%20coupled%20cluster%20%28CC%29%20theories%2C%20and%20the%20available%20experimental%20evidences%20on%20the%20JT-distorted%20structures%20are%20also%20included%20for%20comparative%20analysis.%20The%20role%20of%20the%20relativistic%20effects%20on%20several%20heavy%20metal%20clusters%20is%20discussed%20in%20detail%2C%20since%20these%20effects%20could%20lead%20to%20either%20enhancement%20or%20the%20quenching%20of%20the%20JTE.%20The%20final%20section%20of%20the%20review%20manifests%20the%20JT-distortion%20of%20several%20mixed%20metal%20clusters%20of%20icosahedral%20symmetry%20and%20they%20are%20explained%20through%20a%20much%20simpler%20shell%20structure%20%28jellium%29%20model.%20%5Cu00a9%202019%2C%20Springer%20Science%2BBusiness%20Media%2C%20LLC%2C%20part%20of%20Springer%20Nature.%22%2C%22date%22%3A%222020%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1007%5C%2Fs11224-019-01448-0%22%2C%22ISSN%22%3A%22%22%2C%22url%22%3A%22%22%2C%22collections%22%3A%5B%2235E98E3X%22%5D%2C%22dateModified%22%3A%222020-06-07T13%3A11%3A52Z%22%7D%7D%2C%7B%22key%22%3A%222LI9G75A%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Samanta%20et%20al.%22%2C%22parsedDate%22%3A%222020%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%20%20%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EP.%20N.%20Samanta%2C%20D.%20Majumdar%2C%20S.%20Roszak%20and%20J.%20Leszczynski%2C%20First-Principles%20Approach%20for%20Assessing%20Cold%20Electron%20Injection%20Efficiency%20of%20Dye-Sensitized%20Solar%20Cell%3A%20Elucidation%20of%20Mechanism%20of%20Charge%20Injection%20and%20Recombination%2C%20%3Ci%3EJournal%20of%20Physical%20Chemistry%20C%3C%5C%2Fi%3E%2C%202020%2C%20%3Cb%3E124%3C%5C%2Fb%3E%2C%202817%26%23x2013%3B2836.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3D2LI9G75A%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22First-Principles%20Approach%20for%20Assessing%20Cold%20Electron%20Injection%20Efficiency%20of%20Dye-Sensitized%20Solar%20Cell%3A%20Elucidation%20of%20Mechanism%20of%20Charge%20Injection%20and%20Recombination%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22P.N.%22%2C%22lastName%22%3A%22Samanta%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22D.%22%2C%22lastName%22%3A%22Majumdar%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22S.%22%2C%22lastName%22%3A%22Roszak%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22J.%22%2C%22lastName%22%3A%22Leszczynski%22%7D%5D%2C%22abstractNote%22%3A%22The%20adequacy%20of%20the%20inclusion%20of%20spacer%20units%20in%20the%20metal-free%20D-%5Cu03c0-A%20organic%20dyes%20concerning%20the%20augmentation%20of%20dye-sensitized%20solar%20cell%20%28DSSC%29%20efficiency%20has%20been%20examined%20through%20the%20excited-state%20simulations%20of%20the%20charge%20injection%20and%20recombination%20processes%20at%20the%20dye-semiconductor%20interface.%20Within%20the%20framework%20of%20the%20time-dependent%20density%20functional%20theory%2C%20the%20proposed%20computational%20studies%20focus%20on%20the%20precise%20evaluation%20of%20pivotal%20factors%20controlling%20the%20rates%20of%20photoinduced%20charge-transfer%20and%20energy-transfer%20processes%2C%20including%20electronic%20coupling%2C%20reorganization%20energy%2C%20and%20threshold%20energy%20barrier%20in%20the%20semiclassical%20Marcus%20formalism.%20The%20estimation%20of%20the%20fluorescent%20state%20appears%20to%20be%20the%20crucial%20step%20while%20explaining%20the%20ultrafast%20electron%20injection%20process%20and%20the%20charge%20recombination%20at%20the%20Marcus%20inverted%20region%2C%20as%20revealed%20by%20the%20obtained%20results.%20The%20retardation%20of%20charge%20recombination%20is%20facilitated%20by%20the%20insertion%20of%20a%20thiophene%20moiety%20between%20the%20%5Cu03c0-bridge%20and%20the%20acceptor%20units.%20The%20estimated%20cold%20electron%20injection%20efficiencies%20deploying%20the%20Onsager-Braun%20theory%2C%20which%20rely%20on%20the%20computations%20of%20cold%20electron%20injection%20lifetime%20and%20cold%20electron%20lifetime%2C%20show%20a%20linear%20correlation%20with%20the%20experimental%20photovoltaic%20parameters%20of%20the%20DSSC%20comprising%20short-circuit%20current%20density%2C%20open-circuit%20voltage%2C%20and%20power%20conversion%20efficiency.%20The%20outcomes%20of%20the%20present%20investigation%20establish%20a%20basis%20for%20unraveling%20the%20mechanism%20of%20intricate%20dynamical%20processes%20upon%20photoexcitation%20of%20the%20sensitizers%2C%20as%20well%20as%20devising%20plausible%20routes%20for%20functional%20DSSC%20materials.%20Copyright%20%5Cu00a9%202020%20American%20Chemical%20Society.%22%2C%22date%22%3A%222020%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1021%5C%2Facs.jpcc.9b10616%22%2C%22ISSN%22%3A%22%22%2C%22url%22%3A%22%22%2C%22collections%22%3A%5B%2235E98E3X%22%5D%2C%22dateModified%22%3A%222020-06-07T13%3A11%3A52Z%22%7D%7D%2C%7B%22key%22%3A%22AFSTR53L%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Bulka%20et%20al.%22%2C%22parsedDate%22%3A%222020%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%20%20%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EM.%20Bulka%2C%20E.%20Jastrzebska%2C%20U.%20Bazylinska%2C%20A.%20Dybko%2C%20M.%20Chudy%2C%20K.%20A.%20Wilk%20and%20Z.%20Brzozka%2C%202020%2C%20pp.%201001%26%23x2013%3B1002.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DAFSTR53L%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22conferencePaper%22%2C%22title%22%3A%22Cyto-%20And%20photocytotoxicity%20of%20nanophotosensitizers%20on%20a%203D%20multilayer%20ovarian%20cell%20culture%20in%20a%20microfluidic%20system%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22M.%22%2C%22lastName%22%3A%22Bulka%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22E.%22%2C%22lastName%22%3A%22Jastrzebska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22U.%22%2C%22lastName%22%3A%22Bazylinska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22A.%22%2C%22lastName%22%3A%22Dybko%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22M.%22%2C%22lastName%22%3A%22Chudy%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22K.A.%22%2C%22lastName%22%3A%22Wilk%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Z.%22%2C%22lastName%22%3A%22Brzozka%22%7D%5D%2C%22abstractNote%22%3A%22A%20new%20microfluidic%20system%20for%20culture%20a%20three-dimensional%20multilayer%20ovarian%20cell%20model%20was%20designed.%20In%20the%20microsystem%20the%20viability%20of%20normal%20and%20cancer%20cells%20were%20performed.%20Additionally%2C%20the%20microsystem%20was%20used%20for%20evaluation%20the%20effectiveness%20of%20photodynamic%20therapy%20on%20designed%20cell%20model.%20In%20experiments%20newly-development%20nanocarriers%20of%20photosensitizers%20%28nano-TPP%29%20were%20tested.%20The%20results%20show%2C%20that%20tested%20compound%20has%20potential%20anticancer%20properties.%20%5Cu00a9%2017CBMS-0001.%22%2C%22date%22%3A%222020%22%2C%22proceedingsTitle%22%3A%22%22%2C%22conferenceName%22%3A%2221st%20International%20Conference%20on%20Miniaturized%20Systems%20for%20Chemistry%20and%20Life%20Sciences%2C%20MicroTAS%202017%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%22%22%2C%22ISBN%22%3A%22%22%2C%22url%22%3A%22%22%2C%22collections%22%3A%5B%5D%2C%22dateModified%22%3A%222020-06-07T09%3A41%3A25Z%22%7D%7D%2C%7B%22key%22%3A%22HXF74AR7%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Zuchowska%20et%20al.%22%2C%22parsedDate%22%3A%222020%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%20%20%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EA.%20Zuchowska%2C%20K.%20Marciniak%2C%20E.%20Jastrzebska%2C%20U.%20Bazyli%26%23x144%3Bska%2C%20M.%20Chudy%2C%20A.%20Dybko%2C%20K.%20A.%20Wilk%20and%20Z.%20Brzozka%2C%202020%2C%20pp.%201021%26%23x2013%3B1022.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DHXF74AR7%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22conferencePaper%22%2C%22title%22%3A%22Evaluation%20of%20PDT%20effectiveness%20of%20encapulated%20photosensitizers%20based%20on%203D%20spheroid%20co-culture%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22A.%22%2C%22lastName%22%3A%22Zuchowska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22K.%22%2C%22lastName%22%3A%22Marciniak%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22E.%22%2C%22lastName%22%3A%22Jastrzebska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22U.%22%2C%22lastName%22%3A%22Bazyli%5Cu0144ska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22M.%22%2C%22lastName%22%3A%22Chudy%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22A.%22%2C%22lastName%22%3A%22Dybko%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22K.A.%22%2C%22lastName%22%3A%22Wilk%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Z.%22%2C%22lastName%22%3A%22Brzozka%22%7D%5D%2C%22abstractNote%22%3A%22In%20this%20paper%2C%20we%20present%20the%20possibility%20of%20using%203D%20spheroid%20co-culture%20to%20evaluate%20the%20photodynamic%20therapy%20%28PDT%29%20with%20nanoencapsulated%20meso-Tetraphenylporphyrin%20%28nano-TPP%29.%20Due%20to%20our%20research%20we%20improve%20that%20the%20nano-TPP%20has%20cytotoxic%20and%20fotocytotoxic%20influence%20on%20MCF%5C%2FHMF%20spheroid%20co-culture.%20Furthermore%2C%20we%20demonstrated%20that%20the%20cytotoxic%20effect%20of%20nano-TPP%20is%20concentration%20and%20time%20dependent.%20%5Cu00a9%2017CBMS-0001.%22%2C%22date%22%3A%222020%22%2C%22proceedingsTitle%22%3A%22%22%2C%22conferenceName%22%3A%2221st%20International%20Conference%20on%20Miniaturized%20Systems%20for%20Chemistry%20and%20Life%20Sciences%2C%20MicroTAS%202017%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%22%22%2C%22ISBN%22%3A%22%22%2C%22url%22%3A%22%22%2C%22collections%22%3A%5B%5D%2C%22dateModified%22%3A%222020-06-07T09%3A41%3A25Z%22%7D%7D%2C%7B%22key%22%3A%227KGPBDY3%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Grabarz%20et%20al.%22%2C%22parsedDate%22%3A%222019-11-01%22%2C%22numChildren%22%3A4%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EA.%20M.%20Grabarz%2C%20B.%20J%5Cu0119drzejewska%2C%20A.%20Skotnicka%2C%20N.%20A.%20Murugan%2C%20F.%20Patalas%2C%20W.%20Bartkowiak%2C%20D.%20Jacquemin%20and%20B.%20O%5Cu015bmia%5Cu0142owski%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27http%3A%5C%2F%5C%2Fwww.sciencedirect.com%5C%2Fscience%5C%2Farticle%5C%2Fpii%5C%2FS0143720819303997%27%3EThe%20impact%20of%20the%20heteroatom%20in%20a%20five-membered%20ring%20on%20the%20photophysical%20properties%20of%20difluoroborates%3C%5C%2Fa%3E%2C%20%3Ci%3EDyes%20Pigm.%3C%5C%2Fi%3E%2C%202019%2C%20%3Cb%3E170%3C%5C%2Fb%3E%2C%20107481.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3D7KGPBDY3%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22The%20impact%20of%20the%20heteroatom%20in%20a%20five-membered%20ring%20on%20the%20photophysical%20properties%20of%20difluoroborates%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Anna%20M.%22%2C%22lastName%22%3A%22Grabarz%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Beata%22%2C%22lastName%22%3A%22J%5Cu0119drzejewska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Agnieszka%22%2C%22lastName%22%3A%22Skotnicka%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22N.%20Arul%22%2C%22lastName%22%3A%22Murugan%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Filip%22%2C%22lastName%22%3A%22Patalas%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Wojciech%22%2C%22lastName%22%3A%22Bartkowiak%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Denis%22%2C%22lastName%22%3A%22Jacquemin%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Borys%22%2C%22lastName%22%3A%22O%5Cu015bmia%5Cu0142owski%22%7D%5D%2C%22abstractNote%22%3A%22A%20series%20of%20novel%20BF2%20complexes%2C%20bearing%20a%20five-membered%20heterocyclic%20ring%20%28with%20X%5Cu202f%3D%5Cu202fNMe%2C%20O%2C%20and%20S%29%2C%20were%20synthesized%20and%20characterized%20with%20a%20focus%20on%20the%20influence%20of%20atom%20exchange%20on%20the%20photophysical%20properties%20of%20both%20unsubstituted%20and%20dimethylamino%20derivatives.%20The%20experimental%20results%20show%20that%20the%20optical%20spectra%20substantially%20differ%20in%20both%20sets%20of%20dyes.%20In%20particular%2C%20the%20dimethylamino%20series%20are%20more%20strongly%20affected%20by%20heteroatom%20substitution%2C%20i.e.%2C%20the%20insertion%20of%20X%5Cu202f%3D%5Cu202fO%20or%20X%5Cu202f%3D%5Cu202fS%20in%20lieu%20of%20X%5Cu202f%3D%5Cu202fNMe%20causes%20substantial%20bathochromic%20shifts%20of%20the%20absorption%20and%20emission%20bands%2C%20as%20well%20as%20marked%20changes%20in%20their%20topologies.%20In%20contrast%2C%20the%20optical%20spectra%20of%20the%20unsubstituted%20compounds%20undergo%20only%20relatively%20small%20red-shifts%2C%20and%20no%20variation%20of%20band%20shapes%20is%20observed.%20Moreover%2C%20the%20measured%20absorption%20spectra%20of%20the%20unsubstituted%20compounds%20bearing%20X%5Cu202f%3D%5Cu202fNMe%20and%20X%5Cu202f%3D%5Cu202fO%20are%20almost%20identical.%20Interestingly%2C%20the%20fluorescence%20yields%20of%20the%20dimethylamino%20derivatives%20are%20much%20larger%20%28up%20to%20one%20order%20of%20magnitude%29%20than%20those%20of%20the%20corresponding%20unsubstituted%20compounds.%20The%20experimental%20analyses%20are%20supported%20by%20state-of-the-art%20quantum%20chemistry%20calculations%2C%20which%20satisfactorily%20reproduced%20the%20experimental%20trends%20and%20provided%20further%20insights%20into%20the%20observed%20optical%20signatures.%22%2C%22date%22%3A%22November%201%2C%202019%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1016%5C%2Fj.dyepig.2019.04.026%22%2C%22ISSN%22%3A%220143-7208%22%2C%22url%22%3A%22http%3A%5C%2F%5C%2Fwww.sciencedirect.com%5C%2Fscience%5C%2Farticle%5C%2Fpii%5C%2FS0143720819303997%22%2C%22collections%22%3A%5B%22K9CGVAY6%22%2C%22KB9J8NIM%22%2C%225CTNFZQ8%22%2C%222Z6MVW4Z%22%5D%2C%22dateModified%22%3A%222020-06-07T13%3A00%3A56Z%22%7D%7D%2C%7B%22key%22%3A%228AEAJKNG%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Zale%5Cu015bny%20et%20al.%22%2C%22parsedDate%22%3A%222019-09-01%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3ER.%20Zale%5Cu015bny%2C%20N.%20Szczotka%2C%20A.%20Grabarz%2C%20B.%20O%5Cu015bmia%5Cu0142owski%20and%20D.%20Jacquemin%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fchemistry-europe.onlinelibrary.wiley.com%5C%2Fdoi%5C%2Fabs%5C%2F10.1002%5C%2Fcptc.201900084%27%3EDesign%20of%20Two-Photon-Excited%20Fluorescent%20Dyes%20Containing%20Fluoroborylene%20Groups%3C%5C%2Fa%3E%2C%20%3Ci%3EChemPhotoChem%3C%5C%2Fi%3E%2C%202019%2C%20%3Cb%3E3%3C%5C%2Fb%3E%2C%20719%5Cu2013726.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3D8AEAJKNG%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Design%20of%20Two-Photon-Excited%20Fluorescent%20Dyes%20Containing%20Fluoroborylene%20Groups%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Robert%22%2C%22lastName%22%3A%22Zale%5Cu015bny%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Nina%22%2C%22lastName%22%3A%22Szczotka%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Anna%22%2C%22lastName%22%3A%22Grabarz%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Borys%22%2C%22lastName%22%3A%22O%5Cu015bmia%5Cu0142owski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Denis%22%2C%22lastName%22%3A%22Jacquemin%22%7D%5D%2C%22abstractNote%22%3A%22Abstract%20Aiming%20at%20establishing%20structure-property%20relationships%20for%20two-photon%20absorption%2C%20we%20present%20the%20results%20of%20an%20in%20silico%20investigation%20of%20dyes%20containing%20fluoroborylene%20%28BF%29%20groups.%20More%20specifically%2C%20we%20analyze%20the%20electronic%20properties%20corresponding%20to%20the%20one-%20and%20two-photon%20excitation%20to%20two%20lowest-lying%20singlet%20states%20%28%20and%20%29%20using%20TD-DFT%20and%20CC2%20methods.%20BF-%20and%20BF2-containing%20fluorescent%20dyes%20are%20in%20the%20limelight%2C%20but%20it%20remains%20challenging%20to%20reach%20the%20larger%20electronic%20two-photon%20transition%20strengths%20needed%20in%20bioimaging%20applications.%20Hence%2C%20we%20put%20an%20emphasis%20on%20maximizing%20those%20strengths%20through%20structural%20variations.%20To%20this%20end%2C%20we%20consider%20138%20unique%20molecules%20deriving%20from%20five%20different%20structural%20cores%20presenting%20BF%5C%2FBF2%20groups.%20This%20molecular%20set%20encompasses%20representatives%20of%20three%20architectures%2C%20built%20with%20different%20arrangements%20of%20electron-donating%20%28D%29%20and%20electron-withdrawing%20%28A%29%20moieties%3A%20D-A%2C%20D-A-D%20and%20D-A-A-D.%20In%20addition%2C%20we%20consider%20several%20%5Cu03c0-conjugated%20linkers%20of%20different%20lengths%2C%20composed%20of%20ethylene%20%28en%29%20and%201%2C4-phenylene%20%28PH%29%20units%20%28up%20to%20-enPHenPH-%29%2C%20and%20a%20panel%20of%20substituents%20%28R%3DH%2C%20OMe%2C%20NMe2%20and%20NPh2%29.%20For%20the%20two-photon%20transitions%2C%20it%20is%20shown%20that%20not%20only%20the%20linker%20extension%20and%20the%20strength%20of%20the%20electron-donating%20substituent%20are%20crucial%20for%20maximizing%20the%20two-photon%20activity%20but%20also%20the%20central%20core%20possessing%20fluoroborylene%20unit.%20The%20results%20have%20been%20rationalized%20by%20using%20a%20generalized%20three-level%20model.%22%2C%22date%22%3A%22September%201%2C%202019%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1002%5C%2Fcptc.201900084%22%2C%22ISSN%22%3A%222367-0932%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fchemistry-europe.onlinelibrary.wiley.com%5C%2Fdoi%5C%2Fabs%5C%2F10.1002%5C%2Fcptc.201900084%22%2C%22collections%22%3A%5B%22CL9JDA29%22%2C%22EWMA97QD%22%2C%22ADR8HCBX%22%5D%2C%22dateModified%22%3A%222020-06-30T16%3A36%3A13Z%22%7D%7D%2C%7B%22key%22%3A%22949SVMJY%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Koz%5Cu0142owska%20et%20al.%22%2C%22parsedDate%22%3A%222019-08-07%22%2C%22numChildren%22%3A5%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EJ.%20Koz%5Cu0142owska%2C%20P.%20Lipkowski%2C%20A.%20Roztoczy%5Cu0144ska%20and%20W.%20Bartkowiak%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fpubs.rsc.org%5C%2Fen%5C%2Fcontent%5C%2Farticlelanding%5C%2F2019%5C%2Fcp%5C%2Fc9cp02714a%27%3EDFT%20and%20spatial%20confinement%3A%20a%20benchmark%20study%20on%20the%20structural%20and%20electrical%20properties%20of%20hydrogen%20bonded%20complexes%3C%5C%2Fa%3E%2C%20%3Ci%3EPhys.%20Chem.%20Chem.%20Phys.%3C%5C%2Fi%3E%2C%202019%2C%20%3Cb%3E21%3C%5C%2Fb%3E%2C%2017253%5Cu201317273.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3D949SVMJY%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22DFT%20and%20spatial%20confinement%3A%20a%20benchmark%20study%20on%20the%20structural%20and%20electrical%20properties%20of%20hydrogen%20bonded%20complexes%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Justyna%22%2C%22lastName%22%3A%22Koz%5Cu0142owska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Pawe%5Cu0142%22%2C%22lastName%22%3A%22Lipkowski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Agnieszka%22%2C%22lastName%22%3A%22Roztoczy%5Cu0144ska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Wojciech%22%2C%22lastName%22%3A%22Bartkowiak%22%7D%5D%2C%22abstractNote%22%3A%22An%20extended%20set%20of%2037%20exchange%20correlation%20functionals%2C%20representing%20different%20DFT%20approximations%2C%20has%20been%20evaluated%20on%20a%20difficult%20playground%20represented%20by%20the%20dipole%20moment%20%28%5Cu03bcz%29%2C%20polarizability%20%28%5Cu03b1zz%29%2C%20first%20hyperpolarizability%20%28%5Cu03b2zzz%29%2C%20and%20the%20corresponding%20interaction-induced%20electrical%20properties%20%28%5Cu0394%5Cu03bcz%2C%20%5Cu0394%5Cu03b1zz%2C%20%5Cu0394%5Cu03b2zzz%29%20of%20spatially%20confined%20hydrogen%20bonded%20%28HB%29%20dimers.%20A%20two-dimensional%20harmonic%20oscillator%20potential%20was%20used%20to%20exert%20the%20effect%20of%20spatial%20restriction.%20The%20performance%20of%20DFT%20methods%20in%20predicting%20hydrogen%20bond%20lengths%20in%20the%20studied%20molecular%20complexes%20upon%20confinement%20has%20also%20been%20examined.%20The%20data%20determined%20using%20a%20high-level%20CCSD%28T%29%20method%20serve%20as%20a%20reference.%20The%20conducted%20analyses%20allow%20us%20to%20conclude%20that%20methods%20rooted%20in%20DFT%20constitute%20a%20precise%20tool%20for%20the%20calculation%20of%20%5Cu03bcz%20and%20%5Cu03b1zz%20as%20well%20as%20%5Cu0394%5Cu03bcz%20and%20%5Cu0394%5Cu03b1zz%2C%20as%20most%20of%20the%20tested%20functionals%20provide%20results%20affected%20by%20rather%20small%20relative%20errors.%20On%20the%20other%20hand%2C%20an%20accurate%20description%20of%20the%20nonlinear%20optical%20response%20of%20the%20studied%20HB%20systems%20remains%20a%20great%20challenge%20for%20most%20of%20the%20analyzed%20DFT%20functionals%2C%20both%20in%20vacuum%20and%20in%20the%20presence%20of%20an%20analytical%20confining%20potential.%20Some%20of%20the%20tested%20DFT%20methods%20are%20found%20to%20be%20prone%20to%20catastrophic%20failure%20in%20the%20prediction%20of%20%5Cu03b2zzz%20as%20well%20as%20%5Cu0394%5Cu03b2zzz.%20The%20obtained%20results%20indicate%20that%20there%20is%20no%20great%20chasm%20in%20performance%20between%20functionals%20belonging%20to%20different%20DFT%20approximations%20or%20functionals%20including%20different%20amount%20of%20Hartree%5Cu2013Fock%20exchange%20when%20the%20values%20of%20dipole%20moment%20and%20first%20hyperpolarizability%20as%20well%20as%20the%20corresponding%20interaction-induced%20electrical%20properties%20are%20considered.%20However%2C%20a%20higher%20fraction%20of%20Hartree%5Cu2013Fock%20exchange%20improves%20the%20quality%20of%20predictions%20of%20%5Cu03b1zz%20and%20%5Cu0394%5Cu03b1zz.%20Additionally%2C%20it%20has%20been%20shown%20that%20only%20three%20functionals%20from%20the%20examined%20set%2C%20namely%20B2PLYP%2C%20B3LYP%20and%20%5Cu03c9B97X-D%2C%20provide%20highly%20accurate%20structural%20parameters%20for%20the%20investigated%20systems.%20Of%20significant%20importance%20is%20the%20conclusion%20that%20the%20%5Cu03c9B97X-D%20functional%2C%20representing%20a%20modern%20and%20highly%20parametrized%20range-separated%20hybrid%2C%20demonstrates%20the%20most%20coherent%20behavior%2C%20showing%20rather%20small%20deviations%20from%20the%20reference%20data%20in%20the%20case%20of%20%5Cu03bcz%2C%20%5Cu03b1zz%2C%20%5Cu0394%5Cu03bcz%20and%20%5Cu0394%5Cu03b1zz%20as%20well%20as%20the%20structural%20parameters%20of%20the%20studied%20HB%20dimers.%20Moreover%2C%20our%20results%20indicate%20that%20the%20presence%20of%20spatial%20confinement%20has%20a%20rather%20small%20effect%20on%20the%20performance%20of%20DFT%20methods.%22%2C%22date%22%3A%222019-08-07%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1039%5C%2FC9CP02714A%22%2C%22ISSN%22%3A%221463-9084%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fpubs.rsc.org%5C%2Fen%5C%2Fcontent%5C%2Farticlelanding%5C%2F2019%5C%2Fcp%5C%2Fc9cp02714a%22%2C%22collections%22%3A%5B%22KB9J8NIM%22%2C%222Z6MVW4Z%22%5D%2C%22dateModified%22%3A%222020-06-07T12%3A52%3A09Z%22%7D%7D%2C%7B%22key%22%3A%22QNI3WW3D%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Zale%5Cu015bny%20et%20al.%22%2C%22parsedDate%22%3A%222019-06-11%22%2C%22numChildren%22%3A0%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3ER.%20Zale%5Cu015bny%2C%20M.%20Medved%27%2C%20S.%20P.%20Sitkiewicz%2C%20E.%20Matito%20and%20J.%20M.%20Luis%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facs.jctc.9b00139%27%3ECan%20Density%20Functional%20Theory%20Be%20Trusted%20for%20High-Order%20Electric%20Properties%3F%20The%20Case%20of%20Hydrogen-Bonded%20Complexes%3C%5C%2Fa%3E%2C%20%3Ci%3EJ.%20Chem.%20Theory%20Comput.%3C%5C%2Fi%3E%2C%202019%2C%20%3Cb%3E15%3C%5C%2Fb%3E%2C%203570%5Cu20133579.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DQNI3WW3D%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Can%20Density%20Functional%20Theory%20Be%20Trusted%20for%20High-Order%20Electric%20Properties%3F%20The%20Case%20of%20Hydrogen-Bonded%20Complexes%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Robert%22%2C%22lastName%22%3A%22Zale%5Cu015bny%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Miroslav%22%2C%22lastName%22%3A%22Medved%5Cu2019%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Sebastian%20P.%22%2C%22lastName%22%3A%22Sitkiewicz%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Eduard%22%2C%22lastName%22%3A%22Matito%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Josep%20M.%22%2C%22lastName%22%3A%22Luis%22%7D%5D%2C%22abstractNote%22%3A%22This%20work%20reports%20on%20an%20extensive%20assessment%20of%20the%20performance%20of%20a%20wide%20palette%20of%20density%20functional%20approximations%20in%20predicting%20the%20%28high-order%29%20electric%20properties%20of%20hydrogen-bonded%20complexes.%20To%20this%20end%2C%20we%20compute%20the%20electronic%20and%20vibrational%20contributions%20to%20the%20electric%20polarizability%20and%20the%20first%20and%20second%20hyperpolarizabilities%2C%20using%20the%20CCSD%28T%29%5C%2Faug-cc-pVTZ%20level%20of%20theory%20as%20reference.%20For%20all%20the%20studied%20properties%2C%20the%20average%20absolute%20errors%20below%2020%25%20can%20only%20be%20obtained%20using%20the%20CAM-B3LYP%20functional%2C%20while%20LC-BLYP%20and%20MN15%20are%20shown%20to%20be%20only%20slightly%20less%20accurate%20%28average%20absolute%20errors%20not%20exceeding%2030%25%29.%20Among%20Minnesota%20density%20functionals%2C%20i.e.%2C%20M06%2C%20M06-2X%2C%20and%20MN15%2C%20we%20only%20recommend%20the%20latter%20one%2C%20which%20quite%20accurately%20predicts%20the%20electronic%20and%20vibrational%20%28hyper%29polarizabilities.%20We%20also%20analyze%20the%20optimal%20tuning%20of%20the%20range-separation%20parameter%20%5Cu03bc%20for%20the%20LC-BLYP%20functional%2C%20finding%20that%20this%20approach%20does%20not%20bring%20any%20systematic%20improvement%20in%20the%20predictions%20of%20electronic%20and%20vibrational%20%28hyper%29polarizabilities%20and%20the%20accuracy%20of%20computed%20properties%20is%20largely%20system-dependent.%20Finally%2C%20we%20report%20huge%20errors%20in%20predicting%20the%20vibrational%20second%20hyperpolarizability%20by%20%5Cu03c9B97X%2C%20M06%2C%20and%20M06-2X%20functionals.%20Based%20on%20the%20explicit%20evaluation%20of%20anharmonic%20terms%20contributing%20to%20the%20second%20hyperpolarizability%2C%20this%20failure%20is%20traced%20down%20to%20a%20poor%20determination%20of%20third-%20and%20fourth-order%20energy%20derivatives%20with%20respect%20to%20normal%20modes.%20These%20results%20reveal%20serious%20flaws%20of%20some%20density%20functional%20approximations%20and%20suggest%20caution%20in%20selecting%20the%20appropriate%20functional%20to%20calculate%20not%20only%20electronic%20and%20vibrational%20%28hyper%29polarizabilities%20but%20also%20other%20molecular%20properties%20that%20contain%20vibrational%20anharmonic%20contributions.%22%2C%22date%22%3A%222019-06-11%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1021%5C%2Facs.jctc.9b00139%22%2C%22ISSN%22%3A%221549-9618%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1021%5C%2Facs.jctc.9b00139%22%2C%22collections%22%3A%5B%22EWMA97QD%22%2C%2253PCVDAM%22%5D%2C%22dateModified%22%3A%222020-06-30T16%3A35%3A45Z%22%7D%7D%2C%7B%22key%22%3A%22V5EK3BJU%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Wiczew%20et%20al.%22%2C%22parsedDate%22%3A%222019-06-11%22%2C%22numChildren%22%3A1%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3ED.%20Wiczew%2C%20A.%20Borowska%2C%20K.%20Szkaradek%2C%20T.%20Biegus%2C%20K.%20Wozniak%2C%20M.%20Pyclik%2C%20M.%20Sitarska%2C%20L.%20Jaszewski%2C%20L.%20Radosinski%2C%20B.%20Hanus-Lorenz%20and%20S.%20Kraszewski%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1007%5C%2Fs00894-019-4073-9%27%3EMolecular%20mechanism%20of%20vSGLT%20inhibition%20by%20gneyulin%20reveals%20antiseptic%20properties%20against%20multidrug-resistant%20gram-negative%20bacteria%3C%5C%2Fa%3E%2C%20%3Ci%3EJ%20Mol%20Model%3C%5C%2Fi%3E%2C%202019%2C%20%3Cb%3E25%3C%5C%2Fb%3E%2C%20186.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DV5EK3BJU%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Molecular%20mechanism%20of%20vSGLT%20inhibition%20by%20gneyulin%20reveals%20antiseptic%20properties%20against%20multidrug-resistant%20gram-negative%20bacteria%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Daniel%22%2C%22lastName%22%3A%22Wiczew%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Anna%22%2C%22lastName%22%3A%22Borowska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Kinga%22%2C%22lastName%22%3A%22Szkaradek%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Tomasz%22%2C%22lastName%22%3A%22Biegus%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Kamil%22%2C%22lastName%22%3A%22Wozniak%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Marcelina%22%2C%22lastName%22%3A%22Pyclik%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Magdalena%22%2C%22lastName%22%3A%22Sitarska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Lukasz%22%2C%22lastName%22%3A%22Jaszewski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Lukasz%22%2C%22lastName%22%3A%22Radosinski%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Beata%22%2C%22lastName%22%3A%22Hanus-Lorenz%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Sebastian%22%2C%22lastName%22%3A%22Kraszewski%22%7D%5D%2C%22abstractNote%22%3A%22Faced%20with%20the%20worldwide%20spread%20of%20multidrug-resistant%20%28MDR%29%20bacterial%20strains%2C%20together%20with%20a%20lack%20of%20any%20appropriate%20treatment%2C%20urgent%20steps%20to%20combat%20infectious%20diseases%20should%20be%20taken.%20Usually%2C%20bacterial%20components%20are%20studied%20to%20understand%2C%20by%20analogy%2C%20the%20functioning%20of%20human%20proteins.%20However%2C%20molecular%20data%20from%20bacteria%20gathered%20over%20the%20past%20decades%20provide%20a%20sound%20basis%20for%20the%20search%20for%20novel%20approaches%20in%20medical%20care.%20With%20this%20current%20work%2C%20we%20want%20to%20direct%20attention%20to%20inhibition%20of%20the%20vSGLT%20glucose%20transporter%20from%20Vibrio%20parahaemolyticus%20belonging%20to%20the%20sodium%20solute%20symporter%20%28SSS%29%20family%2C%20to%20block%20sugar%20transport%20into%20the%20bacterial%20cell%20and%2C%20as%20a%20consequence%2C%20to%20limit%20its%20growth.%20Potential%20bacteriostatic%20properties%20can%20be%20drawn%20from%20commercially%20available%20drugs%20developed%20for%20human%20diseases.%20This%20goal%20can%20also%20be%20reached%20with%20natural%20components%20from%20traditional%20herbal%20medicine.%20The%20presented%20data%20from%20the%20numerical%20analysis%20of%2044%20known%20inhibitors%20of%20sodium%20glucose%20symporters%20shed%20light%20on%20potential%20novel%20approaches%20in%20fighting%20Gram-negative%20multidrug-resistant%20microorganisms.%22%2C%22date%22%3A%222019-06-11%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1007%5C%2Fs00894-019-4073-9%22%2C%22ISSN%22%3A%220948-5023%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fdoi.org%5C%2F10.1007%5C%2Fs00894-019-4073-9%22%2C%22collections%22%3A%5B%22EILHI3Y9%22%5D%2C%22dateModified%22%3A%222020-06-07T09%3A35%3A04Z%22%7D%7D%2C%7B%22key%22%3A%22F45UHTBG%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Kinastowska%20et%20al.%22%2C%22parsedDate%22%3A%222019-04-01%22%2C%22numChildren%22%3A4%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EK.%20Kinastowska%2C%20J.%20Liu%2C%20J.%20M.%20Tobin%2C%20Y.%20Rakovich%2C%20F.%20Vilela%2C%20Z.%20Xu%2C%20W.%20Bartkowiak%20and%20M.%20Grzelczak%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27http%3A%5C%2F%5C%2Fwww.sciencedirect.com%5C%2Fscience%5C%2Farticle%5C%2Fpii%5C%2FS0926337318310488%27%3EPhotocatalytic%20cofactor%20regeneration%20involving%20triethanolamine%20revisited%3A%20The%20critical%20role%20of%20glycolaldehyde%3C%5C%2Fa%3E%2C%20%3Ci%3EAppl.%20Catal.%20B%3C%5C%2Fi%3E%2C%202019%2C%20%3Cb%3E243%3C%5C%2Fb%3E%2C%20686%5Cu2013692.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DF45UHTBG%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Photocatalytic%20cofactor%20regeneration%20involving%20triethanolamine%20revisited%3A%20The%20critical%20role%20of%20glycolaldehyde%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Karolina%22%2C%22lastName%22%3A%22Kinastowska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Jie%22%2C%22lastName%22%3A%22Liu%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22John%20M.%22%2C%22lastName%22%3A%22Tobin%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Yury%22%2C%22lastName%22%3A%22Rakovich%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Filipe%22%2C%22lastName%22%3A%22Vilela%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Zhengtao%22%2C%22lastName%22%3A%22Xu%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Wojciech%22%2C%22lastName%22%3A%22Bartkowiak%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Marek%22%2C%22lastName%22%3A%22Grzelczak%22%7D%5D%2C%22abstractNote%22%3A%22Triethanolamine%20is%20a%20widely%20used%20model%20electron%20donor%20that%20enables%20a%20fast%20screening%20of%20the%20photocatalyst%20parameters%20in%20both%2C%20homogeneous%20and%20heterogeneous%20scenarios.%20We%20report%20a%20new%20role%20of%20triethanolamine%20in%20heterogeneous%20photoregeneration%20of%20cofactor%20molecules%20%5Cu2013%20nicotinamide%20adenine%20dinucleotide%20%28NADH%29%20%5Cu2013%20using%20state-of-the-art%20heterogeneous%20photocatalysts.%20In%20contrast%20to%20the%20common%20model%20involving%20the%20light-induced%20electrons%20and%20holes%20generation%20to%20reduce%20the%20substrate%20and%20oxidize%20triethanolamine%20simultaneously%2C%20we%20identified%20glycolaldehyde%20as%20a%20stable%20product%20of%20triethanolamine%20degradation%20capable%20of%20reducing%20NAD%2B.%20Triethanolamine%2C%20apart%20from%20playing%20a%20role%20of%20a%20precursor%20for%20reducing%20agent%2C%20maintains%20the%20alkalinity%20of%20the%20solution%20to%20drive%20the%20reduction.%20Our%20findings%20offer%20a%20fresh%20insight%20into%20the%20triethanolamine-assisted%20photocatalysis%20because%20glycolaldehyde%20as%20such%20have%20generally%20been%20neglected%20in%20mechanistic%20considerations.%20Moreover%2C%20a%20spatial%20and%20temporal%20decoupling%20of%20the%20photocatalyst%20from%20the%20substrate%20reduction%20reaction%20minimizes%20the%20product%20re-oxidation%2C%20thus%20implying%20a%20relevant%20feature%20for%20the%20real-world%20applications%20using%20a%20continuous%20flow%20setting.%22%2C%22date%22%3A%22April%201%2C%202019%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1016%5C%2Fj.apcatb.2018.10.077%22%2C%22ISSN%22%3A%220926-3373%22%2C%22url%22%3A%22http%3A%5C%2F%5C%2Fwww.sciencedirect.com%5C%2Fscience%5C%2Farticle%5C%2Fpii%5C%2FS0926337318310488%22%2C%22collections%22%3A%5B%22K9CGVAY6%22%2C%22KB9J8NIM%22%2C%222Z6MVW4Z%22%5D%2C%22dateModified%22%3A%222020-06-07T13%3A03%3A36Z%22%7D%7D%2C%7B%22key%22%3A%223PPZHILY%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Blankenburg%20et%20al.%22%2C%22parsedDate%22%3A%222019-03-20%22%2C%22numChildren%22%3A2%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EL.%20Blankenburg%2C%20L.%20Schroeder%2C%20F.%20Habenstein%2C%20B.%20B%5Cu0142asiak%2C%20T.%20Kottke%20and%20J.%20Bredenbeck%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27https%3A%5C%2F%5C%2Fpubs.rsc.org%5C%2Fen%5C%2Fcontent%5C%2Farticlelanding%5C%2F2019%5C%2Fcp%5C%2Fc8cp05399e%27%3EFollowing%20local%20light-induced%20structure%20changes%20and%20dynamics%20of%20the%20photoreceptor%20PYP%20with%20the%20thiocyanate%20IR%20label%3C%5C%2Fa%3E%2C%20%3Ci%3EPhys.%20Chem.%20Chem.%20Phys.%3C%5C%2Fi%3E%2C%202019%2C%20%3Cb%3E21%3C%5C%2Fb%3E%2C%206622%5Cu20136634.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3D3PPZHILY%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Following%20local%20light-induced%20structure%20changes%20and%20dynamics%20of%20the%20photoreceptor%20PYP%20with%20the%20thiocyanate%20IR%20label%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Larissa%22%2C%22lastName%22%3A%22Blankenburg%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Lea%22%2C%22lastName%22%3A%22Schroeder%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Florian%22%2C%22lastName%22%3A%22Habenstein%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Bartosz%22%2C%22lastName%22%3A%22B%5Cu0142asiak%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Tilman%22%2C%22lastName%22%3A%22Kottke%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Jens%22%2C%22lastName%22%3A%22Bredenbeck%22%7D%5D%2C%22abstractNote%22%3A%22Photoactive%20Yellow%20Protein%20%28PYP%29%20is%20a%20bacterial%20blue%20light%20receptor%20that%20enters%20a%20photocycle%20after%20excitation.%20The%20intermediate%20states%20are%20formed%20on%20time%20scales%20ranging%20from%20femtoseconds%20up%20to%20hundreds%20of%20milliseconds%2C%20after%20which%20the%20signaling%20state%20with%20a%20lifetime%20of%20about%201%20s%20is%20reached.%20To%20investigate%20structural%20changes%20and%20dynamics%2C%20we%20incorporated%20the%20SCN%20IR%20label%20at%20distinct%20positions%20of%20the%20photoreceptor%20via%20cysteine%20mutation%20and%20cyanylation.%20FT-IR%20measurements%20of%20the%20SCN%20label%20at%20different%20sites%20of%20the%20well-established%20dark%20state%20structure%20of%20PYP%20characterized%20the%20spectral%20response%20of%20the%20label%20to%20differences%20in%20the%20environment.%20Under%20constant%20blue%20light%20irradiation%2C%20we%20observed%20the%20formation%20of%20the%20signaling%20state%20with%20significant%20changes%20of%20wavenumber%20and%20lineshape%20of%20the%20SCN%20bands.%20Thereby%20we%20deduced%20light-induced%20structural%20changes%20in%20the%20local%20environment%20of%20the%20labels.%20These%20results%20were%20supported%20by%20molecular%20dynamics%20simulations%20on%20PYP%20providing%20the%20solvent%20accessible%20surface%20area%20%28SASA%29%20at%20the%20different%20positions.%20To%20follow%20protein%20dynamics%20via%20the%20SCN%20label%20during%20the%20photocycle%2C%20we%20performed%20step-scan%20FT-IR%20measurements%20with%20a%20time%20resolution%20of%2010%20%5Cu03bcs.%20Global%20analysis%20yielded%20similar%20time%20constants%20of%20%5Cu03c41%20%3D%2070%20%5Cu03bcs%2C%20%5Cu03c42%20%3D%20640%20%5Cu03bcs%2C%20and%20%5Cu03c43%20%3E%2020%20ms%20for%20the%20wild%20type%20and%20%5Cu03c41%20%3D%2036%20%5Cu03bcs%2C%20%5Cu03c42%20%3D%20530%20%5Cu03bcs%2C%20and%20%5Cu03c43%20%3E%2020%20ms%20for%20the%20SCN-labeled%20mutant%20PYP-A44C%2A%2C%20a%20mutant%20which%20provided%20a%20sufficiently%20large%20SCN%20difference%20signal%20to%20measure%20step-scan%20FT-IR%20spectra.%20In%20comparison%20to%20the%20protein%20%28amide%2C%20E46%29%20and%20chromophore%20bands%20the%20dynamics%20of%20the%20SCN%20label%20show%20a%20different%20behavior.%20This%20result%20indicates%20that%20the%20local%20kinetics%20sensed%20by%20the%20label%20are%20different%20from%20the%20global%20protein%20kinetics.%22%2C%22date%22%3A%222019-03-20%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1039%5C%2FC8CP05399E%22%2C%22ISSN%22%3A%221463-9084%22%2C%22url%22%3A%22https%3A%5C%2F%5C%2Fpubs.rsc.org%5C%2Fen%5C%2Fcontent%5C%2Farticlelanding%5C%2F2019%5C%2Fcp%5C%2Fc8cp05399e%22%2C%22collections%22%3A%5B%22G7JK5GGK%22%5D%2C%22dateModified%22%3A%222021-01-29T08%3A09%3A56Z%22%7D%7D%2C%7B%22key%22%3A%22SBS4ULJ6%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Hrivn%5Cu00e1k%20et%20al.%22%2C%22parsedDate%22%3A%222019-02-01%22%2C%22numChildren%22%3A2%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3ET.%20Hrivn%5Cu00e1k%2C%20%5Cu0160.%20Budz%5Cu00e1k%2C%20H.%20Reis%2C%20R.%20Zale%5Cu015bny%2C%20P.%20Carbonni%5Cu00e8re%20and%20M.%20Medve%5Cu010f%2C%20%3Ca%20class%3D%27zp-ItemURL%27%20href%3D%27http%3A%5C%2F%5C%2Fwww.sciencedirect.com%5C%2Fscience%5C%2Farticle%5C%2Fpii%5C%2FS0167732218349390%27%3EElectric%20properties%20of%20hydrated%20uracil%3A%20From%20micro-%20to%20macrohydration%3C%5C%2Fa%3E%2C%20%3Ci%3EJournal%20of%20Molecular%20Liquids%3C%5C%2Fi%3E%2C%202019%2C%20%3Cb%3E275%3C%5C%2Fb%3E%2C%20338%5Cu2013346.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DSBS4ULJ6%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Electric%20properties%20of%20hydrated%20uracil%3A%20From%20micro-%20to%20macrohydration%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Tom%5Cu00e1%5Cu0161%22%2C%22lastName%22%3A%22Hrivn%5Cu00e1k%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22%5Cu0160imon%22%2C%22lastName%22%3A%22Budz%5Cu00e1k%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Heribert%22%2C%22lastName%22%3A%22Reis%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Robert%22%2C%22lastName%22%3A%22Zale%5Cu015bny%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Philippe%22%2C%22lastName%22%3A%22Carbonni%5Cu00e8re%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Miroslav%22%2C%22lastName%22%3A%22Medve%5Cu010f%22%7D%5D%2C%22abstractNote%22%3A%22The%20accurate%20description%20of%20solvent%20effects%20on%20electric%20and%20optical%20properties%20of%20a%20solvated%20molecule%20is%20a%20complex%20task%20involving%20appropriate%20consideration%20of%20short-range%20as%20well%20as%20long-range%20intermolecular%20interactions%20having%20direct%20%28local%20field%20induced%29%20and%20indirect%20%28solvent%20structure%20induced%29%20impacts%20on%20the%20properties.%20In%20this%20study%2C%20we%20investigate%20the%20effects%20of%20hydration%20on%20dipole%20moment%20and%20dipole%20polarizability%20of%20uracil%20%28U%29%2C%20focusing%20on%20the%20evolution%20of%20the%20properties%20from%20micro-%20to%20macrohydration%20regime.%20The%20microhydrated%20structures%20were%20generated%20by%20Global%20Search%20Algorithm%20of%20Minima%20%28GSAM%29.%20Our%20results%20show%20a%20general%20increase%20in%20both%20induced%20dipole%20moment%20and%20isotropic%20polarizability%20with%20the%20cluster%20size%2C%20with%20a%20sudden%20decrease%20of%20the%20polarizability%20when%20passing%20from%20U%28H2O%295%20to%20U%28H2O%296.%20To%20explain%20the%20underlying%20effects%2C%20the%20variational-perturbational%20energy%20decomposition%20scheme%20%28VP-EDS%29%20was%20used.%20The%20interplay%20of%20hydrogen%20bonding%20between%20water%20molecules%20and%20the%20uracil%20molecule%20and%20hydrogen%20bonding%20between%20water%20molecules%20themselves%20is%20shown%20to%20be%20the%20driving%20force%20behind%20these%20trends.%20To%20represent%20the%20macrohydrated%20uracil%2C%20supermolecular%20%28SM%29%20and%20rigorous%20local%20field%20%28RLF%29%20methods%20were%20used%2C%20with%20representative%20structure%20generation%20performed%20by%20molecular%20dynamics%20%28MD%29.%20The%20trends%20of%20induced%20electric%20properties%20with%20the%20cluster%20size%20are%20shown%20to%20be%20consistent%20between%20micro-%20and%20macrohydration%20regimes.%20While%20the%20induced%20dipole%20moment%20increases%20monotonically%20to%20a%20converged%20value%20of%201.305%5Cu202f%5Cu00b1%5Cu202f0.009%5Cu202fau%2C%20the%20induced%20isotropic%20polarizability%2C%20reaching%20maximum%20of%205.94%5Cu202fau%20for%20n%5Cu202f%3D%5Cu202f8%2C%20slowly%20decreases%20again%2C%20and%20converges%20to%20the%20negative%20value%20%28%5Cu22121.21%5Cu202f%5Cu00b1%5Cu202f0.12%5Cu202fau%29%2C%20showing%20the%20decrease%20of%20the%20total%20polarizability%20of%20uracil%20in%20water.%20This%20study%20also%20clearly%20demonstrates%20that%20it%20is%20the%20electrostatic%20interaction%20which%20governs%20the%20significant%20property%20changes%20on%20going%20from%20micro-%20to%20macrohydration.%22%2C%22date%22%3A%22February%201%2C%202019%22%2C%22language%22%3A%22en%22%2C%22DOI%22%3A%2210.1016%5C%2Fj.molliq.2018.11.044%22%2C%22ISSN%22%3A%220167-7322%22%2C%22url%22%3A%22http%3A%5C%2F%5C%2Fwww.sciencedirect.com%5C%2Fscience%5C%2Farticle%5C%2Fpii%5C%2FS0167732218349390%22%2C%22collections%22%3A%5B%22EWMA97QD%22%2C%2253PCVDAM%22%5D%2C%22dateModified%22%3A%222020-06-30T16%3A35%3A29Z%22%7D%7D%2C%7B%22key%22%3A%22LM8LSHXX%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Bazyli%5Cu0144ska%20et%20al.%22%2C%22parsedDate%22%3A%222019%22%2C%22numChildren%22%3A3%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%20%20%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EU.%20Bazyli%26%23x144%3Bska%2C%20J.%20Kulbacka%20and%20G.%20Chodaczek%2C%20Nanoemulsion%20structural%20design%20in%20co-encapsulation%20of%20hybrid%20multifunctional%20agents%3A%20Influence%20of%20the%20smart%20plga%20polymers%20on%20the%20nanosystem-enhanced%20delivery%20and%20electro-photodynamic%20treatment%2C%20%3Ci%3EPharmaceutics%3C%5C%2Fi%3E%2C%20%2C%20DOI%3A10.3390%5C%2Fpharmaceutics11080405.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DLM8LSHXX%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Nanoemulsion%20structural%20design%20in%20co-encapsulation%20of%20hybrid%20multifunctional%20agents%3A%20Influence%20of%20the%20smart%20plga%20polymers%20on%20the%20nanosystem-enhanced%20delivery%20and%20electro-photodynamic%20treatment%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22U.%22%2C%22lastName%22%3A%22Bazyli%5Cu0144ska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22J.%22%2C%22lastName%22%3A%22Kulbacka%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22G.%22%2C%22lastName%22%3A%22Chodaczek%22%7D%5D%2C%22abstractNote%22%3A%22In%20the%20present%20study%2C%20we%20examined%20properties%20of%20poly%28lactide-co-glycolide%29%20%28PLGA%29-based%20nanocarriers%20%28NCs%29%20with%20various%20functional%20or%20%5Cu201csmart%5Cu201d%20properties%2C%20i.e.%2C%20coated%20with%20PLGA%2C%20polyethylene%20glycolated%20PLGA%20%28PEG-PLGA%29%2C%20or%20folic%20acid-functionalized%20PLGA%20%28FA-PLGA%29.%20NCs%20were%20obtained%20by%20double%20emulsion%20%28water-in-oil-in-water%29%20evaporation%20process%2C%20which%20is%20one%20of%20the%20most%20suitable%20approaches%20in%20nanoemulsion%20structural%20design.%20Nanoemulsion%20surface%20engineering%20allowed%20us%20to%20co-encapsulate%20a%20hydrophobic%20porphyrin%20photosensitizing%20dye%5Cu2014verteporfin%20%28VP%29%20in%20combination%20with%20low-dose%20cisplatin%20%28CisPt%29%5Cu2014a%20hydrophilic%20cytostatic%20drug.%20The%20composition%20was%20tested%20as%20a%20multifunctional%20and%20synergistic%20hybrid%20agent%20for%20bioimaging%20and%20anticancer%20treatment%20assisted%20by%20electroporation%20on%20human%20ovarian%20cancer%20SKOV-3%20and%20control%20hamster%20ovarian%20fibroblastoid%20CHO-K1%20cell%20lines.%20The%20diameter%20of%20PLGA%20NCs%20with%20different%20coatings%20was%20on%20average%20200%20nm%2C%20as%20shown%20by%20dynamic%20light%20scattering%2C%20transmission%20electron%20microscopy%2C%20and%20atomic%20force%20microscopy.%20We%20analyzed%20the%20effect%20of%20the%20nanocarrier%20charge%20and%20the%20polymeric%20shield%20variation%20on%20the%20colloidal%20stability%20using%20microelectrophoretic%20and%20turbidimetric%20methods.%20The%20cellular%20internalization%20and%20anticancer%20activity%20following%20the%20electro-photodynamic%20treatment%20%28EP-PDT%29%20were%20assessed%20with%20confocal%20microscopy%20and%20flow%20cytometry.%20Our%20data%20show%20that%20functionalized%20PLGA%20NCs%20are%20biocompatible%20and%20enable%20efficient%20delivery%20of%20the%20hybrid%20cargo%20to%20cancer%20cells%2C%20followed%20by%20enhanced%20killing%20of%20cells%20when%20supported%20by%20EP-PDT.%20%5Cu00a9%202019%20by%20the%20authors.%20Licensee%20MDPI%2C%20Basel%2C%20Switzerland.%22%2C%22date%22%3A%222019%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.3390%5C%2Fpharmaceutics11080405%22%2C%22ISSN%22%3A%22%22%2C%22url%22%3A%22%22%2C%22collections%22%3A%5B%5D%2C%22dateModified%22%3A%222020-06-07T09%3A41%3A25Z%22%7D%7D%2C%7B%22key%22%3A%2296Q9DUC5%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Tokarska%20et%20al.%22%2C%22parsedDate%22%3A%222019%22%2C%22numChildren%22%3A2%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%20%20%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3EK.%20Tokarska%2C%20U.%20Bazylinska%2C%20E.%20Jastrzebska%2C%20M.%20Chudy%2C%20A.%20Dybko%2C%20K.%20A.%20Wilk%20and%20Z.%20Brzozka%2C%20Selective%20cancer-killing%20ability%20of%20new%20efficient%20porphyrin-based%20nanophotosensitizer%20in%20Lab-on-a-chip%20system%2C%20%3Ci%3ESensors%20and%20Actuators%2C%20B%3A%20Chemical%3C%5C%2Fi%3E%2C%202019%2C%20%3Cb%3E282%3C%5C%2Fb%3E%2C%20665%26%23x2013%3B674.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3D96Q9DUC5%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22Selective%20cancer-killing%20ability%20of%20new%20efficient%20porphyrin-based%20nanophotosensitizer%20in%20Lab-on-a-chip%20system%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22K.%22%2C%22lastName%22%3A%22Tokarska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22U.%22%2C%22lastName%22%3A%22Bazylinska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22E.%22%2C%22lastName%22%3A%22Jastrzebska%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22M.%22%2C%22lastName%22%3A%22Chudy%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22A.%22%2C%22lastName%22%3A%22Dybko%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22K.A.%22%2C%22lastName%22%3A%22Wilk%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22Z.%22%2C%22lastName%22%3A%22Brzozka%22%7D%5D%2C%22abstractNote%22%3A%22The%20oil%20core%20nanocapsules%20platform%20holds%20great%20potential%20to%20enhance%20the%20efficiency%20and%20accuracy%20of%20anticancer%20therapies.%20In%20this%20work%2C%20we%20describe%20the%20preparation%20of%20well-defined%20multilayer%20oil%20core%20nanocapsules%20built%20of%20oppositely%20charged%20polyelectrolytes%20via%20a%20layer-by-layer%20%28LbL%29%20assembly%20strategy%20and%20their%20use%20as%20advanced%20drug%20delivery%20systems%20for%20photodynamic%20therapy%20%28PDT%29.%20The%20prepared%20nanocapsules%20show%20great%20stability%20in%20a%20physiological%20environment%20with%20uniform%20morphology%20and%20diameters%20of%20around%20120%20nm%20as%20disclosed%20by%20stability%20investigation%2C%20TEM%20and%20DLS%20analysis.%20By%20in%20vitro%20cellular%20experiments%20based%20on%20MTT%20assays%2C%20CLSM%2C%20FACS%20analysis%20and%20ROS%20detection%2C%20we%20confirmed%20that%20tetraphenylporphyrin%20TPP-loaded%20multilayer%20nanocapsules%20were%20selectively%20PDT-active%20against%20A549%20cancer%20cells%20%28human%20lung%20adenocarcinoma%29.%20Cellular%20uptake%20results%20showed%20that%20TPP%20NCs%20were%20readily%20taken%20up%20by%20A549%20cells%20and%20enhanced%20TPP%20uptake%20was%20detectable%20in%20the%20NCs-treated%20cells%20in%20comparison%20to%20carrier%20free%20drug.%20TPP%20NCs%20also%20elicited%20intracellular%20ROS%20generation%2C%20which%20leads%20to%20enhanced%20toxicity%20in%20A549%20cells.%20Toxicological%20impact%20of%20developed%20nanocapsules%20was%20further%20investigated%20using%20newly%20designed%20microfluidic%20Lab-on-a-chip%20system%20enabling%20photodynamic%20activity%20studies%20on%20three%20types%20of%20cell%20culture.%20Our%20results%20demonstrate%20a%20major%20potential%20of%20TPP-loaded%20multilayer%20oil%20core%20nanocapsules%20for%20PDT%20therapeutic%20treatment%20of%20a%20lung%20cancer.%20%5Cu00a9%202018%20Elsevier%20B.V.%22%2C%22date%22%3A%222019%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1016%5C%2Fj.snb.2018.11.115%22%2C%22ISSN%22%3A%22%22%2C%22url%22%3A%22%22%2C%22collections%22%3A%5B%5D%2C%22dateModified%22%3A%222020-06-07T09%3A41%3A25Z%22%7D%7D%2C%7B%22key%22%3A%22JABHZVKA%22%2C%22library%22%3A%7B%22id%22%3A415588%7D%2C%22meta%22%3A%7B%22creatorSummary%22%3A%22Wawrzy%5Cu0144czyk%20et%20al.%22%2C%22parsedDate%22%3A%222019%22%2C%22numChildren%22%3A2%7D%2C%22bib%22%3A%22%3Cdiv%20class%3D%5C%22csl-bib-body%5C%22%20style%3D%5C%22line-height%3A%201.35%3B%20%5C%22%3E%5Cn%20%20%3Cdiv%20class%3D%5C%22csl-entry%5C%22%20style%3D%5C%22clear%3A%20left%3B%20%5C%22%3E%5Cn%20%20%20%20%3Cdiv%20class%3D%5C%22csl-left-margin%5C%22%20style%3D%5C%22float%3A%20left%3B%20padding-right%3A%200.5em%3B%20text-align%3A%20right%3B%20width%3A%201em%3B%5C%22%3E1%3C%5C%2Fdiv%3E%3Cdiv%20class%3D%5C%22csl-right-inline%5C%22%20style%3D%5C%22margin%3A%200%20.4em%200%201.5em%3B%5C%22%3ED.%20Wawrzy%26%23x144%3Bczyk%2C%20B.%20Cichy%2C%20J.%20K.%20Zar%26%23x229%3Bba%20and%20U.%20Bazyli%26%23x144%3Bska%2C%20On%20the%20interaction%20between%20up-converting%20NaYF4%3AEr3%2B%2CYb3%2B%20nanoparticles%20and%20Rose%20Bengal%20molecules%20constrained%20within%20the%20double%20core%20of%20multifunctional%20nanocarriers%2C%20%3Ci%3EJournal%20of%20Materials%20Chemistry%20C%3C%5C%2Fi%3E%2C%202019%2C%20%3Cb%3E7%3C%5C%2Fb%3E%2C%2015021%26%23x2013%3B15034.%20%3Ca%20title%3D%27Cite%20in%20RIS%20Format%27%20class%3D%27zp-CiteRIS%27%20href%3D%27https%3A%5C%2F%5C%2Fhuckel.pl%5C%2Fwp-content%5C%2Fplugins%5C%2Fzotpress%5C%2Flib%5C%2Frequest%5C%2Frequest.cite.php%3Fapi_user_id%3D415588%26amp%3Bitem_key%3DJABHZVKA%27%3ECite%3C%5C%2Fa%3E%20%3C%5C%2Fdiv%3E%5Cn%20%20%3C%5C%2Fdiv%3E%5Cn%3C%5C%2Fdiv%3E%22%2C%22data%22%3A%7B%22itemType%22%3A%22journalArticle%22%2C%22title%22%3A%22On%20the%20interaction%20between%20up-converting%20NaYF4%3AEr3%2B%2CYb3%2B%20nanoparticles%20and%20Rose%20Bengal%20molecules%20constrained%20within%20the%20double%20core%20of%20multifunctional%20nanocarriers%22%2C%22creators%22%3A%5B%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22D.%22%2C%22lastName%22%3A%22Wawrzy%5Cu0144czyk%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22B.%22%2C%22lastName%22%3A%22Cichy%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22J.K.%22%2C%22lastName%22%3A%22Zar%5Cu0229ba%22%7D%2C%7B%22creatorType%22%3A%22author%22%2C%22firstName%22%3A%22U.%22%2C%22lastName%22%3A%22Bazyli%5Cu0144ska%22%7D%5D%2C%22abstractNote%22%3A%22The%20designed%20interaction%20between%20up-converting%20nanoparticles%20and%20photosensitizers%20allows%20for%20near%20infrared%20triggered%20photodynamic%20therapy.%20Depending%20on%20their%20optical%20properties%20and%20spatial%20arrangement%20the%20light%20energy%20harvested%20by%20the%20nanoparticles%20can%20be%20transferred%20to%20the%20neighbor%20photosensitizer%20molecules%20via%20static-%20or%20dynamic-type%20interactions.%20To%20study%20the%20possibility%20of%20photodynamic%20effect%20enhancement%20in%20such%20a%20hybrid%20system%20we%20have%20engineered%20polymeric%20nanocapsules%20with%20a%20structured%20double%20compartment%20core%20feasible%20for%20constraining%20hydrophobic%20up-converting%20NaYF4%3AEr3%2B%2CYb3%2B%20nanoparticles%20and%20hydrophilic%20Rose%20Bengal%20molecules.%20Due%20to%20the%20chosen%20encapsulation%20method%20there%20was%20no%20necessity%20for%20surface%20functionalization%20of%20nanoparticles%20nor%20any%20chemical%20modification%20of%20photosensitizers%2C%20thus%20both%20of%20the%20chromophores%20exhibited%20unchanged%20optical%20properties.%20We%20have%20obtained%20a%20series%20of%20nanocarrier%20samples%20having%20a%20constant%20amount%20of%20up-converting%20nanoparticles%20and%20an%20increasing%20amount%20of%20Rose%20Bengal%20molecules%20for%20detailed%20spectroscopic%20%28up-conversion%20emission%20spectra%20and%20kinetics%29%20and%20theoretical%20%28density%20functional%20theory%20based%20calculations%29%20studies%20on%20their%20mutual%20interaction.%20The%20obtained%20results%20show%20the%20possibility%20of%20both%20up-conversion%20emission%20enhancement%20in%20the%20presence%20of%20Rose%20Bengal%20molecules%2C%20and%20static-type%20energy%20transfer%20from%20nanoparticles%20to%20photosensitizers.%20The%20applicability%20of%20the%20obtained%20nanocapsules%20in%20photodynamic%20based%20cancer%20treatments%20was%20further%20evaluated%20based%20on%20the%20reactive%20oxygen%20species%2C%20including%20singlet%20oxygen%2C%20generation%20upon%20near%20infrared%20excitation.%20Additionally%2C%20the%20other%20surface%20of%20the%20nanocontainers%20was%20functionalized%20with%20PEG-ylated%20hyaluronic%20acid%20to%20assure%20the%20%5C%22stealth%5C%22%20effect%20and%20selective%20accumulation%20in%20cancer%20cells.%20%5Cu00a9%202019%20The%20Royal%20Society%20of%20Chemistry.%22%2C%22date%22%3A%222019%22%2C%22language%22%3A%22%22%2C%22DOI%22%3A%2210.1039%5C%2Fc9tc04163j%22%2C%22ISSN%22%3A%22%22%2C%22url%22%3A%22%22%2C%22collections%22%3A%5B%5D%2C%22dateModified%22%3A%222020-06-07T09%3A41%3A25Z%22%7D%7D%5D%7D
1
O. Loboda, P. Strizhak, R. W. Góra and C. Cervinka, Editorial: Fragment-based electronic structure methods for solids, Frontiers in Chemistry. Cite
1
Ż. A. Mała, M. J. Janicki, R. W. Góra, K. A. Konieczny and R. Kowalczyk, Mechanochemical Assisted Chemoselective and Stereoselective Hydrogen-Bonding Catalyzed Addition of Dithiomalonates to Enones, Advanced Synthesis & Catalysis, , DOI:10.1002/adsc.202300636. Cite
1
M. J. Janicki, R. Szabla, J. Šponer and R. W. Góra, Photoinduced water–chromophore electron transfer causes formation of guanosine photodamage, Phys. Chem. Chem. Phys., 2022, 24, 8217–8224. Cite
1
M. J. Janicki, C. L. Kufner, Z. R. Todd, S. C. Kim, D. K. O'Flaherty, J. W. Szostak, J. Šponer, R. W. Góra, D. D. Sasselov and R. Szabla, Ribose Alters the Photochemical Properties of the Nucleobase in Thionated Nucleosides, J. Phys. Chem. Lett., 2021, 6707–6713. Cite
1
B. Błasiak, W. Bartkowiak and R. W. Góra, An effective potential for Frenkel excitons, Phys. Chem. Chem. Phys., 2021, 23, 1923–1935. Cite
1
J. Jankowska and R. W. Góra, Ultrafast nonradiative deactivation of photoexcited 8-oxo-hypoxanthine: a nonadiabatic molecular dynamics study, Phys. Chem. Chem. Phys., 2021, 23, 1234–1241. Cite
1
B. Błasiak, J. D. Bednarska, M. Chołuj, R. W. Góra and W. Bartkowiak, Ab initio effective one-electron potential operators: Applications for charge-transfer energy in effective fragment potentials, J. Comput. Chem., 2021, 42, 398–411. Cite
1
Ż. A. Mała, M. J. Janicki, N. H. Niedźwiecka, R. W. Góra, K. A. Konieczny and R. Kowalczyk, Stereoselectivity Enhancement During the Generation of Three Contiguous Stereocenters in Tetrahydrothiophenes, ChemCatChem, 2021, 13, 574–580. Cite
1
M. Chołuj, B. Błasiak and W. Bartkowiak, Partitioning of the interaction-induced polarizability of molecules in helium environments, International Journal of Quantum Chemistry, 2021, n/a, e26544. Cite
1
N. A. Murugan and R. Zaleśny, Multiscale Modeling of Two-Photon Probes for Parkinson's Diagnostics Based on Monoamine Oxidase B Biomarker, J. Chem. Inf. Model., 2020, 60, 3854–3863. Cite
1
C. R. Baiz, B. Błasiak, J. Bredenbeck, M. Cho, J.-H. Choi, S. A. Corcelli, A. G. Dijkstra, C.-J. Feng, S. Garrett-Roe, N.-H. Ge, M. W. D. Hanson-Heine, J. D. Hirst, T. L. C. Jansen, K. Kwac, K. J. Kubarych, C. H. Londergan, H. Maekawa, M. Reppert, S. Saito, S. Roy, J. L. Skinner, G. Stock, J. E. Straub, M. C. Thielges, K. Tominaga, A. Tokmakoff, H. Torii, L. Wang, L. J. Webb and M. T. Zanni, Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction, Chem. Rev., 2020, 120, 7152–7218. Cite
1
R. Zaleśny, M. M. Alam, P. N. Day, K. A. Nguyen, R. Pachter, C.-K. Lim, P. N. Prasad and H. Ågren, Computational design of two-photon active organic molecules for infrared responsive materials, J. Mater. Chem. C, 2020, 8, 9867–9873. Cite
1
B. Ośmiałowski, E. F. Petrusevich, M. A. Antoniak, I. Grela, M. A. Bin Jassar, M. Nyk, J. M. Luis, B. Jędrzejewska, R. Zaleśny and D. Jacquemin, Controlling Two-Photon Action Cross Section by Changing a Single Heteroatom Position in Fluorescent Dyes, J. Phys. Chem. Lett., 2020, 5920–5925. Cite
1
U. Bazylińska, D. Wawrzyńczyk, A. Szewczyk and J. Kulbacka, Engineering and biological assessment of double core nanoplatform for co-delivery of hybrid fluorophores to human melanoma, Journal of Inorganic Biochemistry, 2020, 208, 111088. Cite
1
D. C. Mayer, J. K. Zarȩba, G. Raudaschl-Sieber, A. Pöthig, M. Chołuj, R. Zaleśny, M. Samoć and R. A. Fischer, Postsynthetic Framework Contraction Enhances the Two-Photon Absorption Properties of Pillar-Layered Metal–Organic Frameworks, Chem. Mater., , DOI:10.1021/acs.chemmater.0c01417. Cite
1
J. Kulbacka, A. Choromańska, M. Drąg-Zalesińska, P. Nowak, D. Baczyńska, M. Kotulska, I. Bednarz-Misa, J. Saczko and A. Chwiłkowska, Proapoptotic activity induced by photodynamic reaction with novel cyanine dyes in caspase-3-deficient human breast adenocarcinoma cell lines (MCF/WT and MCF/DX), Photodiagnosis and Photodynamic Therapy, 2020, 30, 101775. Cite
1
J. Xu, V. Chmela, N. J. Green, D. A. Russell, M. J. Janicki, R. W. Góra, R. Szabla, A. D. Bond and J. D. Sutherland, Selective prebiotic formation of RNA pyrimidine and DNA purine nucleosides, Nature, 2020, 582, 60–66. Cite
1
J. Iwanejko, M. Sowiński, E. Wojaczyńska, T. K. Olszewski and M. Górecki, An approach to new chiral bicyclic imines and amines via Horner–Wadsworth–Emmons reaction, RSC Adv., 2020, 10, 14618–14629. Cite
1
A. Łupicka-Słowik, M. Psurski, R. Grzywa, M. Cuprych, J. Ciekot, W. Goldeman, E. Wojaczyńska, J. Wojaczyński, J. Oleksyszyn and M. Sieńczyk, Structure-based design, synthesis, and evaluation of the biological activity of novel phosphoroorganic small molecule IAP antagonists, Invest New Drugs, , DOI:10.1007/s10637-020-00923-4. Cite
1
C. Bihanic, K. Richards, T. K. Olszewski and C. Grison, Eco-Mn Ecocatalysts: Toolbox for Sustainable and Green Lewis Acid Catalysis and Oxidation Reactions, ChemCatChem, 2020, 12, 1529–1545. Cite
1
T. Tuan-Anh and R. Zaleśny, Predictions of High-Order Electric Properties of Molecules: Can We Benefit from Machine Learning?, ACS Omega, 2020, 5, 5318–5325. Cite
1
T. K. Olszewski, M. Bieniek and K. Skowerski, Ruthenium-Based Complexes Bearing Quaternary Ammonium Tags as Versatile Catalysts for Olefin Metathesis: From the Discovery to Practical Applications, Org. Process Res. Dev., 2020, 24, 125–145. Cite
1
A. Avramopoulos, R. Zaleśny, H. Reis and M. G. Papadopoulos, A Computational Strategy for the Design of Photochromic Derivatives Based on Diarylethene and Nickel Dithiolene with Large Contrast in Nonlinear Optical Properties, J. Phys. Chem. C, 2020, 124, 4221–4241. Cite
1
P. Ordon, L. Komorowski, M. Jędrzejewski and J. Zaklika, The Connectivity Matrix: A Toolbox for Monitoring Bonded Atoms and Bonds, J. Phys. Chem. A, 2020, 124, 1076–1086. Cite
1
P. Ordon, J. Zaklika, M. Jędrzejewski and L. Komorowski, Bond Softening Indices Studied by the Fragility Spectra for Proton Migration in Formamide and Related Structures, J. Phys. Chem. A, 2020, 124, 328–338. Cite
1
J. M. Schmidt-Engler, L. Blankenburg, B. Błasiak, L. J. G. W. van Wilderen, M. Cho and J. Bredenbeck, Vibrational Lifetime of the SCN Protein Label in H2O and D2O Reports Site-Specific Solvation and Structure Changes During PYP's Photocycle, Anal. Chem., 2020, 92, 1024–1032. Cite
1
M. Samadaei, M. Pinter, D. Senfter, S. Madlener, N. Rohr-Udilova, D. Iwan, K. Kamińska, E. Wojaczyńska, J. Wojaczyński and A. Kochel, Synthesis and Cytotoxic Activity of Chiral Sulfonamides Based on the 2-Azabicycloalkane Skeleton, Molecules, 2020, 25, 2355. Cite
1
J. Iwanejko, E. Wojaczyńska, E. Turlej, M. Maciejewska and J. Wietrzyk, Octahydroquinoxalin-2(1H)-One-Based Aminophosphonic Acids and Their Derivatives—Biological Activity towards Cancer Cells, Materials, 2020, 13, 2393. Cite
1
K. E. Szkaradek, P. Stadlbauer, J. Šponer, R. W. Góra and R. Szabla, UV-induced hydrogen transfer in DNA base pairs promoted by dark nπ* states, Chem. Commun., 2020, 56, 201–204. Cite
1
M. Medved', A. Iglesias-Reguant, H. Reis, R. W. Góra, J. M. Luis and R. Zaleśny, Partitioning of interaction-induced nonlinear optical properties of molecular complexes. II. Halogen-bonded systems, Phys. Chem. Chem. Phys., 2020, 22, 4225–4234. Cite
1
O. Olejnik, A. Masek and A. Kiersnowski, Thermal analysis of aliphatic polyester blends with natural antioxidants, Polymers, , DOI:10.3390/polym12010074. Cite
1
C.-K. Lim, M. Maldonado, R. Zalesny, R. Valiev, H. Ågren, A. S. L. Gomes, J. Jiang, R. Pachter and P. N. Prasad, Interlayer-Sensitized Linear and Nonlinear Photoluminescence of Quasi-2D Hybrid Perovskites Using Aggregation-Induced Enhanced Emission Active Organic Cation Layers, Advanced Functional Materials, 2020, 30, 1909375. Cite
1
T. N. Moshkina, E. V. Nosova, A. E. Kopotilova, G. N. Lipunova, M. S. Valova, L. K. Sadieva, D. S. Kopchuk, P. A. Slepukhin, R. Zaleśny, B. Ośmiałowski and V. N. Charushin, Synthesis and Photophysical Studies of Novel V-Shaped 2,3-Bis5-aryl-2-thienyl(dibenzo[f,h])quinoxalines, Asian Journal of Organic Chemistry, 2020, 9, 673–681. Cite
1
E. Wojaczyńska and J. Wojaczyński, Modern Stereoselective Synthesis of Chiral Sulfinyl Compounds, Chemical Reviews, , DOI:10.1021/acs.chemrev.0c00002. Cite
1
F. Steppeler, D. Iwan, E. Wojaczyńska and J. Wojaczyński, Chiral thioureas-preparation and significance in asymmetric synthesis and medicinal chemistry, Molecules, , DOI:10.3390/molecules25020401. Cite
1
D. Majumdar, P. N. Samanta, S. Roszak, M. T. Nguyen and J. Leszczynski, Jahn-Teller and Pseudo Jahn-Teller Effects: Influences on the Electronic Structures of Small Transition, Main Group and Mixed Metal Clusters, Structural Chemistry, 2020, 31, 7–23. Cite
1
P. N. Samanta, D. Majumdar, S. Roszak and J. Leszczynski, First-Principles Approach for Assessing Cold Electron Injection Efficiency of Dye-Sensitized Solar Cell: Elucidation of Mechanism of Charge Injection and Recombination, Journal of Physical Chemistry C, 2020, 124, 2817–2836. Cite
1
M. Bulka, E. Jastrzebska, U. Bazylinska, A. Dybko, M. Chudy, K. A. Wilk and Z. Brzozka, 2020, pp. 1001–1002. Cite
1
A. Zuchowska, K. Marciniak, E. Jastrzebska, U. Bazylińska, M. Chudy, A. Dybko, K. A. Wilk and Z. Brzozka, 2020, pp. 1021–1022. Cite
1
A. M. Grabarz, B. Jędrzejewska, A. Skotnicka, N. A. Murugan, F. Patalas, W. Bartkowiak, D. Jacquemin and B. Ośmiałowski, The impact of the heteroatom in a five-membered ring on the photophysical properties of difluoroborates, Dyes Pigm., 2019, 170, 107481. Cite
1
R. Zaleśny, N. Szczotka, A. Grabarz, B. Ośmiałowski and D. Jacquemin, Design of Two-Photon-Excited Fluorescent Dyes Containing Fluoroborylene Groups, ChemPhotoChem, 2019, 3, 719–726. Cite
1
J. Kozłowska, P. Lipkowski, A. Roztoczyńska and W. Bartkowiak, DFT and spatial confinement: a benchmark study on the structural and electrical properties of hydrogen bonded complexes, Phys. Chem. Chem. Phys., 2019, 21, 17253–17273. Cite
1
R. Zaleśny, M. Medved', S. P. Sitkiewicz, E. Matito and J. M. Luis, Can Density Functional Theory Be Trusted for High-Order Electric Properties? The Case of Hydrogen-Bonded Complexes, J. Chem. Theory Comput., 2019, 15, 3570–3579. Cite
1
D. Wiczew, A. Borowska, K. Szkaradek, T. Biegus, K. Wozniak, M. Pyclik, M. Sitarska, L. Jaszewski, L. Radosinski, B. Hanus-Lorenz and S. Kraszewski, Molecular mechanism of vSGLT inhibition by gneyulin reveals antiseptic properties against multidrug-resistant gram-negative bacteria, J Mol Model, 2019, 25, 186. Cite
1
K. Kinastowska, J. Liu, J. M. Tobin, Y. Rakovich, F. Vilela, Z. Xu, W. Bartkowiak and M. Grzelczak, Photocatalytic cofactor regeneration involving triethanolamine revisited: The critical role of glycolaldehyde, Appl. Catal. B, 2019, 243, 686–692. Cite
1
L. Blankenburg, L. Schroeder, F. Habenstein, B. Błasiak, T. Kottke and J. Bredenbeck, Following local light-induced structure changes and dynamics of the photoreceptor PYP with the thiocyanate IR label, Phys. Chem. Chem. Phys., 2019, 21, 6622–6634. Cite
1
T. Hrivnák, Š. Budzák, H. Reis, R. Zaleśny, P. Carbonnière and M. Medveď, Electric properties of hydrated uracil: From micro- to macrohydration, Journal of Molecular Liquids, 2019, 275, 338–346. Cite
1
U. Bazylińska, J. Kulbacka and G. Chodaczek, Nanoemulsion structural design in co-encapsulation of hybrid multifunctional agents: Influence of the smart plga polymers on the nanosystem-enhanced delivery and electro-photodynamic treatment, Pharmaceutics, , DOI:10.3390/pharmaceutics11080405. Cite
1
K. Tokarska, U. Bazylinska, E. Jastrzebska, M. Chudy, A. Dybko, K. A. Wilk and Z. Brzozka, Selective cancer-killing ability of new efficient porphyrin-based nanophotosensitizer in Lab-on-a-chip system, Sensors and Actuators, B: Chemical, 2019, 282, 665–674. Cite
1
D. Wawrzyńczyk, B. Cichy, J. K. Zarȩba and U. Bazylińska, On the interaction between up-converting NaYF4:Er3+,Yb3+ nanoparticles and Rose Bengal molecules constrained within the double core of multifunctional nanocarriers, Journal of Materials Chemistry C, 2019, 7, 15021–15034. Cite