Matches in SemOpenAlex for { <https://semopenalex.org/work/W2180367411> ?p ?o ?g. }
- W2180367411 endingPage "955" @default.
- W2180367411 startingPage "947" @default.
- W2180367411 abstract "8-Oxoguanine is the most abundant oxidation product found in oxidatively damaged DNA. The study of the excited-state properties of the corresponding deoxyribonucleoside 8-oxo-deoxyguanosine is thus of important biological relevance. Herein, we present an ADC(2)-s ab initio study of the neutral and the anionic form of 8-oxo-deoxyguanosine, for each of which we have considered the intramolecularly 5'-O-H···N3 hydrogen-bonded syn conformer. We present energy profiles for a radiationless deactivation mechanism via intramolecular excited-state proton transfer. This mechanism is accessible in the neutral form, but it is unavailable in the anion. We present optimized structures for the proton-transfer conical intersection of the neutral form as well as the ring-puckered conical intersections inherent to the 8-oxoguanine moiety for the neutral and anionic forms. We highlight the possible relevance of the proton-transfer mechanism for the neutral form and discuss our results in light of several recently published computational and spectroscopic studies. Our results provide new insight into the photophysics of this biologically relevant nucleoside and pave the way for future nonadiabatic dynamics studies and for further spectroscopic investigations." @default.
- W2180367411 created "2016-06-24" @default.
- W2180367411 creator A5016274435 @default.
- W2180367411 creator A5071220373 @default.
- W2180367411 date "2016-01-01" @default.
- W2180367411 modified "2023-10-01" @default.
- W2180367411 title "Excited-state deactivation in 8-oxo-deoxyguanosine: comparison between anionic and neutral forms" @default.
- W2180367411 cites W1823196125 @default.
- W2180367411 cites W1895201840 @default.
- W2180367411 cites W1938996638 @default.
- W2180367411 cites W1975874009 @default.
- W2180367411 cites W1976479524 @default.
- W2180367411 cites W1979006021 @default.
- W2180367411 cites W1980520349 @default.
- W2180367411 cites W1992147551 @default.
- W2180367411 cites W1995497075 @default.
- W2180367411 cites W2003683774 @default.
- W2180367411 cites W2004791384 @default.
- W2180367411 cites W2007298995 @default.
- W2180367411 cites W2007945073 @default.
- W2180367411 cites W2014585228 @default.
- W2180367411 cites W2020090502 @default.
- W2180367411 cites W2020754110 @default.
- W2180367411 cites W2020803132 @default.
- W2180367411 cites W2026838497 @default.
- W2180367411 cites W2028015819 @default.
- W2180367411 cites W2028770952 @default.
- W2180367411 cites W2033262860 @default.
- W2180367411 cites W2038222480 @default.
- W2180367411 cites W2042458917 @default.
- W2180367411 cites W2042902815 @default.
- W2180367411 cites W2044578607 @default.
- W2180367411 cites W2044948239 @default.
- W2180367411 cites W2048990616 @default.
- W2180367411 cites W2058254391 @default.
- W2180367411 cites W2058315415 @default.
- W2180367411 cites W2059728573 @default.
- W2180367411 cites W2061220442 @default.
- W2180367411 cites W2068888525 @default.
- W2180367411 cites W2071495843 @default.
- W2180367411 cites W2071984154 @default.
- W2180367411 cites W2077450957 @default.
- W2180367411 cites W2083937776 @default.
- W2180367411 cites W2086699066 @default.
- W2180367411 cites W2087404957 @default.
- W2180367411 cites W2090889389 @default.
- W2180367411 cites W2099652472 @default.
- W2180367411 cites W2105684404 @default.
- W2180367411 cites W2120660952 @default.
- W2180367411 cites W2128198296 @default.
- W2180367411 cites W2128659255 @default.
- W2180367411 cites W2132918873 @default.
- W2180367411 cites W2141833893 @default.
- W2180367411 cites W2146234190 @default.
- W2180367411 cites W2149782025 @default.
- W2180367411 cites W2156488701 @default.
- W2180367411 cites W2163559977 @default.
- W2180367411 cites W2233106825 @default.
- W2180367411 cites W2238268800 @default.
- W2180367411 cites W2261190612 @default.
- W2180367411 cites W2314493427 @default.
- W2180367411 cites W2317379458 @default.
- W2180367411 cites W2317467675 @default.
- W2180367411 cites W2322665603 @default.
- W2180367411 cites W2325826781 @default.
- W2180367411 cites W2328428648 @default.
- W2180367411 cites W2333625177 @default.
- W2180367411 cites W2464095301 @default.
- W2180367411 cites W2505458002 @default.
- W2180367411 doi "https://doi.org/10.1039/c5cp05804j" @default.
- W2180367411 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26650478" @default.
- W2180367411 hasPublicationYear "2016" @default.
- W2180367411 type Work @default.
- W2180367411 sameAs 2180367411 @default.
- W2180367411 citedByCount "15" @default.
- W2180367411 countsByYear W21803674112016 @default.
- W2180367411 countsByYear W21803674112017 @default.
- W2180367411 countsByYear W21803674112018 @default.
- W2180367411 countsByYear W21803674112021 @default.
- W2180367411 countsByYear W21803674112022 @default.
- W2180367411 crossrefType "journal-article" @default.
- W2180367411 hasAuthorship W2180367411A5016274435 @default.
- W2180367411 hasAuthorship W2180367411A5071220373 @default.
- W2180367411 hasConcept C121332964 @default.
- W2180367411 hasConcept C147597530 @default.
- W2180367411 hasConcept C178790620 @default.
- W2180367411 hasConcept C181500209 @default.
- W2180367411 hasConcept C185544564 @default.
- W2180367411 hasConcept C185592680 @default.
- W2180367411 hasConcept C18705241 @default.
- W2180367411 hasConcept C24857813 @default.
- W2180367411 hasConcept C2776568683 @default.
- W2180367411 hasConcept C2780441211 @default.
- W2180367411 hasConcept C2781442258 @default.
- W2180367411 hasConcept C32909587 @default.
- W2180367411 hasConcept C54516573 @default.
- W2180367411 hasConcept C552990157 @default.
- W2180367411 hasConcept C55493867 @default.