Optimization of band-selective homonuclear dipolar recoupling in solid-state NMR by a numerical phase search
文献类型：期刊论文
| 作者 | Yang, Jun3; Tycko, Robert1; Deng, Jing2,3; Liu, Hui3; Zhang, Zhengfeng3 |
| 刊名 | JOURNAL OF CHEMICAL PHYSICS
 |
| 出版日期 | 2019-04-21 |
| 卷号 | 150期号:15页码:14 |
| ISSN号 | 0021-9606 |
| DOI | 10.1063/1.5092986 |
| 英文摘要 | Spin polarization transfers among aliphatic C-13 nuclei, especially C-13 alpha-C-13 beta transfers, permit correlations of their nuclear magnetic resonance (NMR) frequencies that are essential for signal assignments in multidimensional solid-state NMR of proteins. We derive and demonstrate a new radio-frequency (RF) excitation sequence for homonuclear dipolar recoupling that enhances spin polarization transfers among aliphatic C-13 nuclei at moderate magic-angle spinning (MAS) frequencies. The phase-optimized recoupling sequence with five pi pulses per MAS rotation period (denoted as PR5) is derived initially from systematic numerical simulations in which only the RF phases are varied. Subsequent theoretical analysis by average Hamiltonian theory explains the favorable properties of numerically optimized phase schemes. The high efficiency of spin polarization transfers in simulations is preserved in experiments, in part because the RF field amplitude in PR5 is only 2.5 times the MAS frequency so that relatively low H-1 decoupling powers are required. Experiments on a microcrystalline sample of the beta 1 immunoglobulin binding domain of protein G demonstrate an average enhancement factor of 1.6 for C-13 alpha -> C-13 beta polarization transfers, compared to the standard C-13-C-13 spin-diffusion method, implying a two. fold time saving in relevant 2D and 3D experiments. |
| WOS关键词 | NUCLEAR-MAGNETIC-RESONANCE ; CHEMICAL-SHIFT CORRELATION ; RF PULSE SCHEMES ; ROTATING SOLIDS ; CROSS-POLARIZATION ; SPIN-DIFFUSION ; CORRELATION SPECTROSCOPY ; SPECTRAL SIMPLIFICATION ; DISTANCE MEASUREMENTS ; ZERO-QUANTUM |
| 资助项目 | National Natural Science Foundation of China[21775161] ; National Natural Science Foundation of China[21405171] ; National Natural Science Foundation of China[31770798] ; National Natural Science Foundation of China[31627803] ; National Key R&D Program of China[2016YFA0501200] ; National Key R&D Program of China[2017YFA0505400] ; Intramural Research Program of the National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| 出版者 | AMER INST PHYSICS |
| WOS记录号 | WOS:000465442100029 |
| 资助机构 | National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Key R&D Program of China ; National Key R&D Program of China ; Intramural Research Program of the National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health ; Intramural Research Program of the National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Key R&D Program of China ; National Key R&D Program of China ; Intramural Research Program of the National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health ; Intramural Research Program of the National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Key R&D Program of China ; National Key R&D Program of China ; Intramural Research Program of the National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health ; Intramural Research Program of the National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Key R&D Program of China ; National Key R&D Program of China ; Intramural Research Program of the National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health ; Intramural Research Program of the National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health |
| 源URL | [http://ir.wipm.ac.cn/handle/112942/13691]  |
| 专题 | 中国科学院武汉物理与数学研究所 |
| 通讯作者 | Zhang, Zhengfeng |
| 作者单位 | 1.Natl Inst Diabet & Digest & Kidney Dis, Lab Chem Phys, NIH, Bethesda, MD 20892 USA 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 3.Chinese Acad Sci, Key Lab Magnet Resonance Biol Syst, State Key Lab Magnet Resonance & Atom & Mol Phys, Natl Ctr Magnet Resonance,Wuhan Wuhan Inst Phys &, Wuhan 430071, Hubei, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yang, Jun,Tycko, Robert,Deng, Jing,et al. Optimization of band-selective homonuclear dipolar recoupling in solid-state NMR by a numerical phase search[J]. JOURNAL OF CHEMICAL PHYSICS,2019,150(15):14. |
| APA | Yang, Jun,Tycko, Robert,Deng, Jing,Liu, Hui,&Zhang, Zhengfeng.(2019).Optimization of band-selective homonuclear dipolar recoupling in solid-state NMR by a numerical phase search.JOURNAL OF CHEMICAL PHYSICS,150(15),14. |
| MLA | Yang, Jun,et al."Optimization of band-selective homonuclear dipolar recoupling in solid-state NMR by a numerical phase search".JOURNAL OF CHEMICAL PHYSICS 150.15(2019):14. |
入库方式： OAI收割
来源：武汉物理与数学研究所
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