FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2056548162> ?p ?o ?g. }

• W2056548162 endingPage "2256" @default.
• W2056548162 startingPage "2256" @default.
• W2056548162 abstract "A pulse radiolysis study was carried out of the reaction rate constants and kinetic isotope effects of hydroxyl-radical-induced H/D abstraction from the most-simple α-amino acid glycine in its anionic form in water. The rate constants and yields of three predominantly formed radical products, glycyl (NH2–˙CH–CO2−), aminomethyl (NH2–˙CH2), and aminyl (˙NH–CH2–CO2−) radicals, as well as of their partially or fully deuterated analogs, were found to be of comparable magnitude. The primary, secondary, and primary/secondary H/D kinetic isotope effects on the rate constants were determined with respect to each of the three radicals. The unusual variety of products for such an elementary reaction between two small and simple species indicates a complex mechanism with several reactions taking place simultaneously. Thus, a theoretical modeling of the reaction mechanism and kinetics in the gas- and aqueous phase was performed by using the unrestricted density functional theory with the BB1K functional (employing the polarizable continuum model for the aqueous phase), unrestricted coupled cluster UCCSD(T) method, and improved canonical variational theory. Several hydrogen-bonded prereaction complexes and transition states were detected. In particular, the calculations pointed to a significant mechanistic role of the three-electron two-orbital (σ/σ* N∴O) hemibonded prereaction complexes in the aqueous phase. A good agreement with the experimental rate constants and kinetic isotope effects was achieved by downshifting the calculated reaction barriers by 3 kcal mol−1 and damping the NH(D) stretching frequency by a factor of 0.86." @default.
• W2056548162 created "2016-06-24" @default.
• W2056548162 creator A5025914596 @default.
• W2056548162 creator A5040341040 @default.
• W2056548162 creator A5043312184 @default.
• W2056548162 creator A5044671083 @default.
• W2056548162 creator A5053669140 @default.
• W2056548162 creator A5091255502 @default.
• W2056548162 date "2009-01-01" @default.
• W2056548162 modified "2023-10-17" @default.
• W2056548162 title "A surprisingly complex aqueous chemistry of the simplest amino acid. A pulse radiolysis and theoretical study on H/D kinetic isotope effects in the reaction of glycine anions with hydroxyl radicals" @default.
• W2056548162 cites W1926950498 @default.
• W2056548162 cites W1972295548 @default.
• W2056548162 cites W1973686415 @default.
• W2056548162 cites W1974775316 @default.
• W2056548162 cites W1979424160 @default.
• W2056548162 cites W1981544687 @default.
• W2056548162 cites W1991122650 @default.
• W2056548162 cites W1993383767 @default.
• W2056548162 cites W1995794402 @default.
• W2056548162 cites W1997882310 @default.
• W2056548162 cites W1999590033 @default.
• W2056548162 cites W1999605461 @default.
• W2056548162 cites W2003348049 @default.
• W2056548162 cites W2021502908 @default.
• W2056548162 cites W2025063056 @default.
• W2056548162 cites W2031099930 @default.
• W2056548162 cites W2033027400 @default.
• W2056548162 cites W2033990154 @default.
• W2056548162 cites W2034466476 @default.
• W2056548162 cites W2039559098 @default.
• W2056548162 cites W2040452871 @default.
• W2056548162 cites W2047511596 @default.
• W2056548162 cites W2048688710 @default.
• W2056548162 cites W2052219878 @default.
• W2056548162 cites W2056566084 @default.
• W2056548162 cites W2057815662 @default.
• W2056548162 cites W2061935476 @default.
• W2056548162 cites W2067802599 @default.
• W2056548162 cites W2068072865 @default.
• W2056548162 cites W2069693907 @default.
• W2056548162 cites W2075989945 @default.
• W2056548162 cites W2078040362 @default.
• W2056548162 cites W2079087815 @default.
• W2056548162 cites W2080360339 @default.
• W2056548162 cites W2084825573 @default.
• W2056548162 cites W2085577216 @default.
• W2056548162 cites W2086957099 @default.
• W2056548162 cites W2090108392 @default.
• W2056548162 cites W2092930273 @default.
• W2056548162 cites W2141685773 @default.
• W2056548162 cites W2141809840 @default.
• W2056548162 cites W2144929313 @default.
• W2056548162 cites W2148941593 @default.
• W2056548162 cites W2156795937 @default.
• W2056548162 cites W2313038122 @default.
• W2056548162 cites W2951652338 @default.
• W2056548162 cites W295406538 @default.
• W2056548162 doi "https://doi.org/10.1039/b816353g" @default.
• W2056548162 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/19305899" @default.
• W2056548162 hasPublicationYear "2009" @default.
• W2056548162 type Work @default.
• W2056548162 sameAs 2056548162 @default.
• W2056548162 citedByCount "28" @default.
• W2056548162 countsByYear W20565481622012 @default.
• W2056548162 countsByYear W20565481622013 @default.
• W2056548162 countsByYear W20565481622014 @default.
• W2056548162 countsByYear W20565481622015 @default.
• W2056548162 countsByYear W20565481622016 @default.
• W2056548162 countsByYear W20565481622017 @default.
• W2056548162 countsByYear W20565481622018 @default.
• W2056548162 countsByYear W20565481622019 @default.
• W2056548162 countsByYear W20565481622021 @default.
• W2056548162 countsByYear W20565481622022 @default.
• W2056548162 countsByYear W20565481622023 @default.
• W2056548162 crossrefType "journal-article" @default.
• W2056548162 hasAuthorship W2056548162A5025914596 @default.
• W2056548162 hasAuthorship W2056548162A5040341040 @default.
• W2056548162 hasAuthorship W2056548162A5043312184 @default.
• W2056548162 hasAuthorship W2056548162A5044671083 @default.
• W2056548162 hasAuthorship W2056548162A5053669140 @default.
• W2056548162 hasAuthorship W2056548162A5091255502 @default.
• W2056548162 hasConcept C121332964 @default.
• W2056548162 hasConcept C139066938 @default.
• W2056548162 hasConcept C147597530 @default.
• W2056548162 hasConcept C147789679 @default.
• W2056548162 hasConcept C148093993 @default.
• W2056548162 hasConcept C148898269 @default.
• W2056548162 hasConcept C152365726 @default.
• W2056548162 hasConcept C161790260 @default.
• W2056548162 hasConcept C178790620 @default.
• W2056548162 hasConcept C184651966 @default.
• W2056548162 hasConcept C185592680 @default.
• W2056548162 hasConcept C2776122248 @default.
• W2056548162 hasConcept C32909587 @default.
• W2056548162 hasConcept C58364064 @default.
• W2056548162 hasConcept C62520636 @default.
• W2056548162 hasConcept C65024703 @default.

• next