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Article: Proton affinities of methyl esters of N-acetylated amino acids

TitleProton affinities of methyl esters of N-acetylated amino acids
Authors
KeywordsMethyl Esters
N-Acetylated Amino Acids
Proton Affinities
Issue Date2002
PublisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/ijms
Citation
International Journal Of Mass Spectrometry, 2002, v. 219 n. 1, p. 101-114 How to Cite?
AbstractThe proton affinities of the methyl esters of N-acetylated amino acids, Ac-Xxx-OMe, where Xxx is Gly, Leu, Phe, Pro, Glu and Arg have been calculated and characterized at B3LYP/6-31++G(d,p) and compared against experimentally measured values by the kinetic method. The proton is attached to the carbonyl group in five cases out of the six derivatized amino acids. Proton affinities of 15 derivatized amino acids have been measured experimentally. The average absolute deviation between theory and experiment is 1.2kcalmol -1. The proton affinities of all derivatized amino acids are higher than those of the corresponding underivatized parents, reflecting the ionic hydrogen bonding stabilization. A Bader analysis of the intramolecular hydrogen bonding within these protonated amides is presented. © 2002 Elsevier Science B.V. All rights reserved.
Persistent Identifierhttp://hdl.handle.net/10722/167740
ISSN
2015 Impact Factor: 2.183
2015 SCImago Journal Rankings: 0.683
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorAddario, Ven_US
dc.contributor.authorGuo, Yen_US
dc.contributor.authorChu, IKen_US
dc.contributor.authorLing, Yen_US
dc.contributor.authorRuggerio, Gen_US
dc.contributor.authorRodriquez, CFen_US
dc.contributor.authorHopkinson, ACen_US
dc.contributor.authorSiu, KWMichaelen_US
dc.date.accessioned2012-10-08T03:10:49Z-
dc.date.available2012-10-08T03:10:49Z-
dc.date.issued2002en_US
dc.identifier.citationInternational Journal Of Mass Spectrometry, 2002, v. 219 n. 1, p. 101-114en_US
dc.identifier.issn1387-3806en_US
dc.identifier.urihttp://hdl.handle.net/10722/167740-
dc.description.abstractThe proton affinities of the methyl esters of N-acetylated amino acids, Ac-Xxx-OMe, where Xxx is Gly, Leu, Phe, Pro, Glu and Arg have been calculated and characterized at B3LYP/6-31++G(d,p) and compared against experimentally measured values by the kinetic method. The proton is attached to the carbonyl group in five cases out of the six derivatized amino acids. Proton affinities of 15 derivatized amino acids have been measured experimentally. The average absolute deviation between theory and experiment is 1.2kcalmol -1. The proton affinities of all derivatized amino acids are higher than those of the corresponding underivatized parents, reflecting the ionic hydrogen bonding stabilization. A Bader analysis of the intramolecular hydrogen bonding within these protonated amides is presented. © 2002 Elsevier Science B.V. All rights reserved.en_US
dc.languageengen_US
dc.publisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/ijmsen_US
dc.relation.ispartofInternational Journal of Mass Spectrometryen_US
dc.subjectMethyl Estersen_US
dc.subjectN-Acetylated Amino Acidsen_US
dc.subjectProton Affinitiesen_US
dc.titleProton affinities of methyl esters of N-acetylated amino acidsen_US
dc.typeArticleen_US
dc.identifier.emailChu, IK:ivankchu@hku.hken_US
dc.identifier.authorityChu, IK=rp00683en_US
dc.description.naturelink_to_subscribed_fulltexten_US
dc.identifier.doi10.1016/S1387-3806(02)00564-Xen_US
dc.identifier.scopuseid_2-s2.0-0036685575en_US
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0036685575&selection=ref&src=s&origin=recordpageen_US
dc.identifier.volume219en_US
dc.identifier.issue1en_US
dc.identifier.spage101en_US
dc.identifier.epage114en_US
dc.identifier.isiWOS:000177860600010-
dc.publisher.placeNetherlandsen_US
dc.identifier.scopusauthoridAddario, V=15749132600en_US
dc.identifier.scopusauthoridGuo, Y=7406310670en_US
dc.identifier.scopusauthoridChu, IK=7103327484en_US
dc.identifier.scopusauthoridLing, Y=40861491300en_US
dc.identifier.scopusauthoridRuggerio, G=6506578867en_US
dc.identifier.scopusauthoridRodriquez, CF=7004085075en_US
dc.identifier.scopusauthoridHopkinson, AC=15067169300en_US
dc.identifier.scopusauthoridSiu, KWMichael=8967015800en_US

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