期刊
CHEMICAL PHYSICS LETTERS
卷 531, 期 -, 页码 41-45出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2012.01.086
关键词
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资金
- Ministry of Education, Culture, Sports, Science and Technology (MEXT) Japan
- Industrial Technology Research Grant Program
- Grants-in-Aid for Scientific Research [19056002] Funding Source: KAKEN
Three-residue peptides capped with benzyloxycarbonyl (Z-) group, Z-Pro-Leu-Gly-NH2 and Z-Pro-Leu-Gly-OH, are investigated by infrared (IR) spectroscopy, using supersonic-jet laser desorption technique, in the N-H and O-H stretching frequency ranges. The IR spectra show clear evidence of the formation of different hydrogen-bonding network in the two peptides. The possible gas phase structure is proposed from density functional theory calculations using cc-pVDZ basis set. The Z-Pro-Leu-Gly-OH in the gas phase forms successive gamma-turn structure with free C-terminal carboxyl group whereas main structural element in Z-Pro-Leu-Gly-NH2 is beta-turn with C-terminal -NH2 group forming hydrogen bond. Structural information is employed to predict their binding capability in gas phase. (C) 2012 Elsevier B.V. All rights reserved.
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