物理学报Issue(23)：236101-1-236101-8,8.DOI:10.7498/aps.62.236101
丝素氨基酸寡肽链生长过程中的尺寸效应
Size effect of silk fibroin peptide chains in the growth process
摘要
Abstract
A theoretical study on 13 oligopeptides of glycine and alanine by density function theory (DFT) is given in this paper. Geometric structures, vibration frequency, average binding energies, dipole moment are studied, and IR spectra of the oligopeptides are examined. Results show that with increasing number of residues the average binding energies tend to a regular pattern, IR frequencies of typical functional groups start to shift, but stretching and bending vibrations of the groups show the opposite trend of red shift and blue shift. It is revealed that the physical and chemical properties of the silk fibroin peptide chain show size effect and anisotropic in the growth process. This phenomenon may come from the coupling effect of the similar groups, and the different effects of intramolecular hydrogen bond on the stretching and bending vibration.关键词
寡肽/红外光谱/尺寸效应/奇偶效应Key words
oligopeptides/infrared spectrum/size effect/even-odd effect引用本文复制引用
羊梦诗,李鑫,叶志鹏,陈亮,徐灿,储修祥..丝素氨基酸寡肽链生长过程中的尺寸效应[J].物理学报,2013,(23):236101-1-236101-8,8.基金项目
国家杰出青年科学基金(批准号:50925103)和浙江农林大学理学院大学生创新训练基地项目资助的课题.*Supported by the National Science Fund for Distinguished Young Scholars (Grant No.50925103), and the Students Innovation Training Base of Science College, Zhejiang A&F University （批准号:50925103）
