General Applicable Frequency Map for the Amide-I Mode in beta-Peptides
文献类型：期刊论文
| 作者 | Cai, Kaicong1,2; Du, Fenfen1,2; Zheng, Xuan1,2; Liu, Jia1,2; Zheng, Renhui3; Zhao, Juan4; Wang, Jianping4 |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY B
 |
| 出版日期 | 2016-02-18 |
| 卷号 | 120期号:6页码:1069-1079 |
| 英文摘要 | In this work, a general applicable amide-I vibrational frequency map (GA map) for beta-peptides in a number of common solvents was constructed, based on a peptide derivative, N-ethylpropionamide (NEPA). The map utilizes force fields at the ab initio computational level to accurately describe molecular structure and solute-solvent interactions, and also force fields at the molecular mechanics level to take into account long-range solute-solvent interactions. The results indicate that the GA map works reasonably for mapping the vibrational frequencies of the amide-I local-modes for beta-peptides, holding promises for understanding the complicated infrared spectra of the amide-I mode in beta-polypeptides. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/35836]  |
| 专题 | 化学研究所_分子动态与稳态结构实验室 |
| 作者单位 | 1.Fujian Normal Univ, Coll Chem & Chem Engn, Fuzhou 350007, Fujian, Peoples R China 2.Fujian Prov Key Lab Theoret & Computat Chem, Xiamen 361005, Fujian, Peoples R China 3.Chinese Acad Sci, Beijing Natl Lab Mol Sci, Inst Chem, Struct Chem Unstable & Stable Species Lab, Beijing 100190, Peoples R China 4.Chinese Acad Sci, Beijing Natl Lab Mol Sci, Inst Chem, Mol React Dynam Lab, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Cai, Kaicong,Du, Fenfen,Zheng, Xuan,et al. General Applicable Frequency Map for the Amide-I Mode in beta-Peptides[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2016,120(6):1069-1079. |
| APA | Cai, Kaicong.,Du, Fenfen.,Zheng, Xuan.,Liu, Jia.,Zheng, Renhui.,...&Wang, Jianping.(2016).General Applicable Frequency Map for the Amide-I Mode in beta-Peptides.JOURNAL OF PHYSICAL CHEMISTRY B,120(6),1069-1079. |
| MLA | Cai, Kaicong,et al."General Applicable Frequency Map for the Amide-I Mode in beta-Peptides".JOURNAL OF PHYSICAL CHEMISTRY B 120.6(2016):1069-1079. |
入库方式： OAI收割
来源：化学研究所
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