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Amide Vibrations and Their Conformational Dependences in beta-Peptide
Zhao, Juan; Wang, Jianping
刊名JOURNAL OF PHYSICAL CHEMISTRY B
2010-12-09
DOI10.1021/jp108324p
114期:48页:16011-16019
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Chemistry, Physical
研究领域[WOS]Chemistry
关键词[WOS]2-DIMENSIONAL INFRARED-SPECTROSCOPY ; 2-AMINOCYCLOPENTANECARBOXYLIC ACID-DERIVATIVES ; 14-HELIX STABILITY ; AQUEOUS-SOLUTION ; HYDROGEN-BOND ; STRETCH MODE ; SIDE-CHAINS ; SECONDARY STRUCTURE ; HAIRPIN FORMATION ; HELICAL PEPTIDES
英文摘要The characteristics of the amide-A and amide-I modes in a beta-homoalanine dipeptide (beta-HADP) have been examined as a function of backbone dihedral angles The harmonic frequencies were obtained using the density functional theory The anharmonic frequencies and diagonal anharmonicities were obtained by using the Morse potential Local-mode frequencies and intermode couplings were obtained using the computed normal-mode frequencies and eigenvectors It was found that the vibrational frequencies for the two types of amide modes are both conformational-dependent The inter-amide-A and inter-amide-I couplings in the beta-peptides were predicted to be generally weaker than those in the alpha-peptides Structural bases of the amide-A and amide-I local modes in the beta-peptides are discussed
语种英语
WOS记录号WOS:000284738800034
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文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/142267
专题中国科学院大连化学物理研究所
作者单位Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China
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Zhao, Juan,Wang, Jianping. Amide Vibrations and Their Conformational Dependences in beta-Peptide[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2010,114(48):16011-16019.
APA Zhao, Juan,&Wang, Jianping.(2010).Amide Vibrations and Their Conformational Dependences in beta-Peptide.JOURNAL OF PHYSICAL CHEMISTRY B,114(48),16011-16019.
MLA Zhao, Juan,et al."Amide Vibrations and Their Conformational Dependences in beta-Peptide".JOURNAL OF PHYSICAL CHEMISTRY B 114.48(2010):16011-16019.
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