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oai:uvadoc.uva.es:10324/226522021-06-23T11:52:54Zcom_10324_1186com_10324_931com_10324_894col_10324_1404

Cabezas, Carlos f57133f3-19eb-407a-8451-3dfbb59bb3de 500 Robben, Martinus A. T. 5baf1260-29a3-4fb5-ab4f-9a2b1407cb4c 500 Rijs, Anouk M. b6c2b8a6-b173-4629-9d6e-2c173875bcbf 500 Peña Calvo, María Isabel fc4a2d43d6ab825f 500 Alonso Hernández, José Luis 25501589e1421077 500 0000-0002-3146-8250 2017-03-19T16:05:22Z 2017-03-19T16:05:22Z 2015 Physical Chemistry Chemical Physics, 2015, 17, 20274-20280 http://uvadoc.uva.es/handle/10324/22652 10.1039/c5cp02654g Serine capped dipeptide N-acetyl-L-serinamide (Ac-Ser-NH2) has been investigated using Fourier transform microwave spectroscopic techniques combined with laser ablation sources. Spectral signatures originating from one dominant species have been detected in the supersonic expansion. Rotational and nuclear quadrupole coupling constants of the two 14N nuclei have been used in the characterization of a Ceq/g-turn structure, which is stabilized by a C7O·· ·HN intramolecular hydrogen bond closing a seven-membered ring. Two extra hydrogen bonds involving the polar side chain (–CH2OH) further stabilize the structure. The non-observation of C5 species, attributed to the presence of the polar side chain, is in contrast with the previous gas phase observation of the related dipeptides containing glycine or alanine residues. The A–E splitting pattern arising from the internal rotation of the methyl group has been analyzed and the internal rotation barrier has been determined. application/pdf eng info:eu-repo/semantics/restrictedAccess Owner Societies 2015 Fourier transform microwave spectroscopy of Ac-Ser-NH2: the role of side chain interactions in peptide folding info:eu-repo/semantics/article SI LICENSE license.txt license.txt text/plain 4250 https://uvadoc.uva.es/bitstream/10324/22652/2/license.txt 909e634ba52becf192e4e9b4bcde7863 MD5 2 ORIGINAL Fourier transform microwave spectroscopy of Ac-Ser-NH2 the role of side chain interactions in peptide foldingpreprint.pdf Fourier transform microwave spectroscopy of Ac-Ser-NH2 the role of side chain interactions in peptide foldingpreprint.pdf application/pdf 648183 https://uvadoc.uva.es/bitstream/10324/22652/1/Fourier%20transform%20microwave%20spectroscopy%20of%20Ac-Ser-NH2%20the%20role%20of%20side%20chain%20interactions%20in%20peptide%20foldingpreprint.pdf 5e183039aaba6cb3232df4b789b5ccfa MD5 1 THUMBNAIL Fourier transform microwave spectroscopy of Ac-Ser-NH2 the role of side chain interactions in peptide foldingpreprint.pdf.jpg Fourier transform microwave spectroscopy of Ac-Ser-NH2 the role of side chain interactions in peptide foldingpreprint.pdf.jpg IM Thumbnail image/jpeg 4089 https://uvadoc.uva.es/bitstream/10324/22652/3/Fourier%20transform%20microwave%20spectroscopy%20of%20Ac-Ser-NH2%20the%20role%20of%20side%20chain%20interactions%20in%20peptide%20foldingpreprint.pdf.jpg ea3be2e700b644e13aa1bb5b11161dda MD5 3 10324/22652 oai:uvadoc.uva.es:10324/22652 2021-06-23 13:52:54.905 UVaDOC repositorio@uva.es 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