Matches in SemOpenAlex for { <https://semopenalex.org/work/W2148652079> ?p ?o ?g. }
- W2148652079 endingPage "2168" @default.
- W2148652079 startingPage "2160" @default.
- W2148652079 abstract "The catalysis of peptide bond formation between two glycine molecules on H-FAU zeolite was computationally studied by the M08-HX density functional. Two reaction pathways, the concerted and the stepwise mechanism, starting from three differently adsorbed reactants, amino-bound, carboxyl-bound, and hydroxyl-bound, are studied. Adsorption energies, activation energies, and reaction energies, as well as the corresponding intrinsic rate constants were calculated. A comparison of the computed energetics of the various reaction paths for glycine indicates that the catalyzed reaction proceeds preferentially via the concerted reaction mechanism of the hydroxyl-bound configuration. This involves an eight-membered ring of the transition structure instead of the four-membered ring of the others. The step from the amino-bound configuration to glycylglycine is the rate-determining step of the concerted mechanism. It has an estimated activation energy of 51.2 kcal mol(-1). Although the catalytic reaction can also occur via the stepwise reaction mechanism, this path is not favored." @default.
- W2148652079 created "2016-06-24" @default.
- W2148652079 creator A5003532951 @default.
- W2148652079 creator A5005795329 @default.
- W2148652079 creator A5044706714 @default.
- W2148652079 creator A5046675808 @default.
- W2148652079 creator A5066350135 @default.
- W2148652079 creator A5089046958 @default.
- W2148652079 date "2011-06-22" @default.
- W2148652079 modified "2023-10-17" @default.
- W2148652079 title "Glycine Peptide Bond Formation Catalyzed by Faujasite" @default.
- W2148652079 cites W1969917863 @default.
- W2148652079 cites W1970648452 @default.
- W2148652079 cites W1972151484 @default.
- W2148652079 cites W1972276720 @default.
- W2148652079 cites W1977476426 @default.
- W2148652079 cites W1980516378 @default.
- W2148652079 cites W1983408915 @default.
- W2148652079 cites W1985732802 @default.
- W2148652079 cites W1986460352 @default.
- W2148652079 cites W1987416224 @default.
- W2148652079 cites W1987494852 @default.
- W2148652079 cites W1987565198 @default.
- W2148652079 cites W1992441636 @default.
- W2148652079 cites W1993417185 @default.
- W2148652079 cites W1994227860 @default.
- W2148652079 cites W1996695596 @default.
- W2148652079 cites W2000774615 @default.
- W2148652079 cites W2003831220 @default.
- W2148652079 cites W2004212223 @default.
- W2148652079 cites W2004428439 @default.
- W2148652079 cites W2006227397 @default.
- W2148652079 cites W2010282362 @default.
- W2148652079 cites W2010677108 @default.
- W2148652079 cites W2012129602 @default.
- W2148652079 cites W2013861147 @default.
- W2148652079 cites W2017978760 @default.
- W2148652079 cites W2018656846 @default.
- W2148652079 cites W2021088966 @default.
- W2148652079 cites W2023750743 @default.
- W2148652079 cites W2024419440 @default.
- W2148652079 cites W2038169951 @default.
- W2148652079 cites W2039456100 @default.
- W2148652079 cites W2040850652 @default.
- W2148652079 cites W2043844852 @default.
- W2148652079 cites W2045607314 @default.
- W2148652079 cites W2046321943 @default.
- W2148652079 cites W2050054419 @default.
- W2148652079 cites W2054511150 @default.
- W2148652079 cites W2056871520 @default.
- W2148652079 cites W2062109849 @default.
- W2148652079 cites W2064635878 @default.
- W2148652079 cites W2066057528 @default.
- W2148652079 cites W2069589307 @default.
- W2148652079 cites W2072638923 @default.
- W2148652079 cites W2077772480 @default.
- W2148652079 cites W2081116202 @default.
- W2148652079 cites W2081379184 @default.
- W2148652079 cites W2081918437 @default.
- W2148652079 cites W2084168858 @default.
- W2148652079 cites W2087048061 @default.
- W2148652079 cites W2090748253 @default.
- W2148652079 cites W2092784030 @default.
- W2148652079 cites W2093385185 @default.
- W2148652079 cites W2112202251 @default.
- W2148652079 cites W2125918767 @default.
- W2148652079 cites W2150697053 @default.
- W2148652079 cites W2150861684 @default.
- W2148652079 cites W2312749248 @default.
- W2148652079 cites W2952581193 @default.
- W2148652079 cites W88549450 @default.
- W2148652079 doi "https://doi.org/10.1002/cphc.201100047" @default.
- W2148652079 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21698739" @default.
- W2148652079 hasPublicationYear "2011" @default.
- W2148652079 type Work @default.
- W2148652079 sameAs 2148652079 @default.
- W2148652079 citedByCount "11" @default.
- W2148652079 countsByYear W21486520792013 @default.
- W2148652079 countsByYear W21486520792015 @default.
- W2148652079 countsByYear W21486520792016 @default.
- W2148652079 countsByYear W21486520792017 @default.
- W2148652079 countsByYear W21486520792018 @default.
- W2148652079 countsByYear W21486520792019 @default.
- W2148652079 countsByYear W21486520792020 @default.
- W2148652079 countsByYear W21486520792022 @default.
- W2148652079 crossrefType "journal-article" @default.
- W2148652079 hasAuthorship W2148652079A5003532951 @default.
- W2148652079 hasAuthorship W2148652079A5005795329 @default.
- W2148652079 hasAuthorship W2148652079A5044706714 @default.
- W2148652079 hasAuthorship W2148652079A5046675808 @default.
- W2148652079 hasAuthorship W2148652079A5066350135 @default.
- W2148652079 hasAuthorship W2148652079A5089046958 @default.
- W2148652079 hasConcept C105768512 @default.
- W2148652079 hasConcept C121332964 @default.
- W2148652079 hasConcept C135502975 @default.
- W2148652079 hasConcept C147597530 @default.
- W2148652079 hasConcept C147789679 @default.
- W2148652079 hasConcept C148898269 @default.