Phenylalanine and tyrosine methyl ester intramolecular interactions and conformational analysis by H-1 NMR and infrared spectroscopies and theoretical calculations

dc.creatorCormanich, RA
dc.creatorDucati, LC
dc.creatorTormena, CF
dc.creatorRittner, R
dc.date2014
dc.dateAPR 5
dc.date2014-07-30T14:31:34Z
dc.date2015-11-26T17:14:56Z
dc.date2014-07-30T14:31:34Z
dc.date2015-11-26T17:14:56Z
dc.date.accessioned2018-03-29T00:03:11Z
dc.date.available2018-03-29T00:03:11Z
dc.identifierSpectrochimica Acta Part A-molecular And Biomolecular Spectroscopy. Pergamon-elsevier Science Ltd, v. 123, n. 482, n. 489, 2014.
dc.identifier1386-1425
dc.identifierWOS:000333777200061
dc.identifier10.1016/j.saa.2013.12.088
dc.identifierhttp://www.repositorio.unicamp.br/jspui/handle/REPOSIP/59509
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/59509
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1281917
dc.descriptionFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.descriptionConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.descriptionAmino acid conformational analysis in solution are scarce, since these compounds present a bipolar zwitterionic structure (+H3N-CHR-COO-) in these media. Also, intramolecular hydrogen bonds have been classified as the sole interactions governing amino acid conformational behavior in the literature. In the present work we propose phenylalanine and tyrosine methyl ester conformational studies in different solvents by H-1 NMR and infrared spectroscopies and theoretical calculations. Both experimental and theoretical results are in agreement and suggest that the conformational behavior of the phenylalanine and tyrosine methyl esters are similar and are dictated by the interplay between steric and hyperconjugative interactions. (C) 2014 Elsevier B.V. All rights reserved.
dc.description123
dc.description482
dc.description489
dc.descriptionFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.descriptionConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.descriptionFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.descriptionConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.descriptionFAPESP [2012/03933-5]
dc.descriptionFAPESP [2011/01170-1, 2010/15764-4]
dc.languageen
dc.publisherPergamon-elsevier Science Ltd
dc.publisherOxford
dc.publisherInglaterra
dc.relationSpectrochimica Acta Part A-molecular And Biomolecular Spectroscopy
dc.relationSpectroc. Acta Pt. A-Molec. Biomolec. Spectr.
dc.rightsfechado
dc.rightshttp://www.elsevier.com/about/open-access/open-access-policies/article-posting-policy
dc.sourceWeb of Science
dc.subjectConformational analysis
dc.subjectAmino acid methyl ester derivatives
dc.subjectH-1 NMR spectroscopy
dc.subjectInfrared spectroscopy
dc.subjectIntramolecular hydrogen bonding
dc.subjectStereoelectronic effects
dc.subjectAmino-acid
dc.subjectGas-phase
dc.subjectCrystal-structure
dc.subjectHydrogen-bonds
dc.subjectGlycine
dc.subjectConformers
dc.subjectAlanine
dc.subjectShape
dc.subjectPreferences
dc.subjectSarcosine
dc.titlePhenylalanine and tyrosine methyl ester intramolecular interactions and conformational analysis by H-1 NMR and infrared spectroscopies and theoretical calculations
dc.typeArtículos de revistas


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