Amide Vibrations and Their Conformational Dependences in beta-Peptide

	Amide Vibrations and Their Conformational Dependences in beta-Peptide
	Zhao, Juan; Wang, Jianping
刊名	journal of physical chemistry b
	2010-12-09
卷号	114 期号:48 页码:16011-16019
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
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
收录类别	SCI
语种	英语
WOS记录号	WOS:000284738800034
公开日期	2015-11-17
内容类型	期刊论文
源URL	[http://159.226.238.44/handle/321008/142267]
专题	大连化学物理研究所_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
推荐引用方式 GB/T 7714	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.