C-13 and N-15 spectral editing inside histidine imidazole ring through solid-state NMR spectroscopy
文献类型：期刊论文
| 作者 | Li, Shenhui1; Zhou, Lei1; Su, Yongchao2; Han, Bin1; Deng, Feng1 |
| 刊名 | SOLID STATE NUCLEAR MAGNETIC RESONANCE
 |
| 出版日期 | 2013-07-01 |
| 卷号 | 54页码:13-17 |
| 关键词 | Solid state NMR Spectral editing Histidine DFT calculation |
| 英文摘要 | Histidine usually exists in three different forms (including biprotonated species, neutral tau and pi tautomers) at physiological pH in biological systems. The different protonation and tautomerization states of histidine can be characteristically determined by C-13 and N-15 chemical shifts of imidazole ring. In this work, solid-state NMR techniques were developed for spectral editing of C-13 and N-15 sites in histidine imidazole ring, which provides a benchmark to distinguish the existing forms of histidine. The selections of C-13(gamma), C-13(delta 2), N-15(delta 1), and N-15(epsilon 2) sites were successfully achieved based on one-bond homo- and hetero-nuclear dipole interactions. Moreover, it was demonstrated that H-1, C-13, and 15 chemical shifts were roughly linearly correlated with the corresponding atomic charge in histidine imidazole ring by theoretical calculations. Accordingly, the H-1, C-13 and N-15 chemical shifts variation in different protonation and tautomerization states could be ascribed to the atomic charge change due to proton transfer in biological process. Crown Copyright (C) 2013 Published by Elsevier Inc. All rights reserved. |
| WOS标题词 | Science & Technology ; Physical Sciences ; Technology |
| 类目[WOS] | Chemistry, Physical ; Physics, Atomic, Molecular & Chemical ; Physics, Condensed Matter ; Spectroscopy |
| 研究领域[WOS] | Chemistry ; Physics ; Spectroscopy |
| 关键词[WOS] | NUCLEAR-MAGNETIC-RESONANCE ; MEMBRANE-PROTEIN STRUCTURE ; M2 PROTON CHANNEL ; CHEMICAL-SHIFT ; QUANTUM SPECTROSCOPY ; ROTATING SOLIDS ; SIDE-CHAIN ; PEPTIDES ; CONDUCTION ; MECHANISM |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000323986900003 |
| 源URL | [http://ir.wipm.ac.cn/handle/112942/826]  |
| 专题 | 武汉物理与数学研究所_磁共振应用研究部 |
| 作者单位 | 1.Chinese Acad Sci, State Key Lab Magnet Resonance & Atom & Mol Phys, Key Lab Magnet Resonance Biol Syst, Wuhan Inst Phys & Math,Wuhan Ctr Magnet Resonance, Wuhan 430071, Peoples R China 2.Iowa State Univ, Dept Chem, Ames, IA 50011 USA |
| 推荐引用方式 GB/T 7714 | Li, Shenhui,Zhou, Lei,Su, Yongchao,et al. C-13 and N-15 spectral editing inside histidine imidazole ring through solid-state NMR spectroscopy[J]. SOLID STATE NUCLEAR MAGNETIC RESONANCE,2013,54:13-17. |
| APA | Li, Shenhui,Zhou, Lei,Su, Yongchao,Han, Bin,&Deng, Feng.(2013).C-13 and N-15 spectral editing inside histidine imidazole ring through solid-state NMR spectroscopy.SOLID STATE NUCLEAR MAGNETIC RESONANCE,54,13-17. |
| MLA | Li, Shenhui,et al."C-13 and N-15 spectral editing inside histidine imidazole ring through solid-state NMR spectroscopy".SOLID STATE NUCLEAR MAGNETIC RESONANCE 54(2013):13-17. |
入库方式： OAI收割
来源：武汉物理与数学研究所
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