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Article: Theoretical study of peptides formed by aminoxy acids

TitleTheoretical study of peptides formed by aminoxy acids
Authors
Issue Date1999
PublisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/journals/jacsat/index.html
Citation
Journal Of The American Chemical Society, 1999, v. 121 n. 48, p. 11189-11196 How to Cite?
AbstractQuantum mechanics methods have been applied to study the conformational features of peptides formed by aminoxy acids. Geometry and vibration frequencies were calculated by the HF/6-31G** method. Energy was further evaluated using the MP2/6-31G** or B3LYP/6-31G* calculation. Solvent effect was modeled by the self-consistent isosurface polarization continuum model with the HF/6-31G** method. There is a significant preference for the formation of an eight-membered-ring hydrogen bond between adjacent amino acid residues, which resembles a γ-turn. The rotation direction of the C8 structure is determined by the chirality of the Cα center and is independent upon the size of the alkyl side chain. There is a cooperative effect for the formation of adjacent C8 structures, which promotes the formation of helix. Thus, a homo (S)-oxa-polypeptide forms a right-handed 1.88-helix, with each turn of the helix containing about 1.8 units of aminoxy acids.
Persistent Identifierhttp://hdl.handle.net/10722/69948
ISSN
2015 Impact Factor: 13.038
2015 SCImago Journal Rankings: 7.123
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorWu, YDen_HK
dc.contributor.authorWang, DPen_HK
dc.contributor.authorChan, KWKen_HK
dc.contributor.authorYang, Den_HK
dc.date.accessioned2010-09-06T06:18:18Z-
dc.date.available2010-09-06T06:18:18Z-
dc.date.issued1999en_HK
dc.identifier.citationJournal Of The American Chemical Society, 1999, v. 121 n. 48, p. 11189-11196en_HK
dc.identifier.issn0002-7863en_HK
dc.identifier.urihttp://hdl.handle.net/10722/69948-
dc.description.abstractQuantum mechanics methods have been applied to study the conformational features of peptides formed by aminoxy acids. Geometry and vibration frequencies were calculated by the HF/6-31G** method. Energy was further evaluated using the MP2/6-31G** or B3LYP/6-31G* calculation. Solvent effect was modeled by the self-consistent isosurface polarization continuum model with the HF/6-31G** method. There is a significant preference for the formation of an eight-membered-ring hydrogen bond between adjacent amino acid residues, which resembles a γ-turn. The rotation direction of the C8 structure is determined by the chirality of the Cα center and is independent upon the size of the alkyl side chain. There is a cooperative effect for the formation of adjacent C8 structures, which promotes the formation of helix. Thus, a homo (S)-oxa-polypeptide forms a right-handed 1.88-helix, with each turn of the helix containing about 1.8 units of aminoxy acids.en_HK
dc.languageengen_HK
dc.publisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/journals/jacsat/index.htmlen_HK
dc.relation.ispartofJournal of the American Chemical Societyen_HK
dc.titleTheoretical study of peptides formed by aminoxy acidsen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=0002-7863&volume=121&spage=11189&epage=11196&date=1999&atitle=Theoretical+study+of+peptides+formed+by+aminoxy+acidsen_HK
dc.identifier.emailYang, D:yangdan@hku.hken_HK
dc.identifier.authorityYang, D=rp00825en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1021/ja9918019en_HK
dc.identifier.scopuseid_2-s2.0-0033537027en_HK
dc.identifier.hkuros50036en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0033537027&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume121en_HK
dc.identifier.issue48en_HK
dc.identifier.spage11189en_HK
dc.identifier.epage11196en_HK
dc.identifier.isiWOS:000084155300021-
dc.publisher.placeUnited Statesen_HK
dc.identifier.scopusauthoridWu, YD=7406892738en_HK
dc.identifier.scopusauthoridWang, DP=7407069947en_HK
dc.identifier.scopusauthoridChan, KWK=7406033855en_HK
dc.identifier.scopusauthoridYang, D=7404800756en_HK

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