~13C NMR Relaxation Rates: Separation of Dipolar and Chemical Shift Anisotropy Effects

W.Robert Carper; Phillip G.Wahlbeck; Andreas Dolle

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~13C NMR Relaxation Rates: Separation of Dipolar and Chemical Shift Anisotropy Effects

机译：〜13C NMR弛豫速率：偶极和化学位移各向异性效应的分离

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The process of obtaining molecular reorientational dynamics from~13C spin-lattice relaxation data is simplified for aromatic carbons in viscous solutions.Spin-lattice relaxation times(~I3C)are used to determine pseudorotational correlation times for the ionic liquid l-butyl-3-methylimidazolium hexafluorophosphate([BMIM][PF6]).The pseudorotational correlation times are used to calculate corrected maximum nuclear Overhauser effect(NOE)factors from a combined isotropic dipolar and NOE equation.These corrected maximum NOE factors are then used to determine the dipolar relaxation rate part of the total relaxation rate for each~13C nucleus in the imidazolium ring.A consequence of this analysis is that a plot of the maximum NOE factors and the total spin-lattice relaxation times have minima at similar temperatures.Chemical shift anisotropy values,ACT,for the aromatic carbons in the imidazolium cation are temperature dependent with maximum ACT values at ca.the same temperature as observed for the spin-lattice relaxation times.The average ACT values for the imidazolium ring carbons are similar to those of pyrimidine in liquid crystal solutions.

机译：对于粘性溶液中的芳族碳，简化了从〜13C自旋晶格弛豫数据获得分子重新定向动力学的过程。自旋晶格弛豫时间（〜I3C）用于确定离子液体l-丁基-3-的拟旋转相关时间六氟磷酸甲基咪唑鎓（[BMIM] [PF6]）。利用伪旋转相关时间，根据各向同性的偶极和NOE方程，计算校正的最大核Overhauser效应（NOE）因子。然后使用这些校正的最大NOE因子确定偶极弛豫咪唑环中每个〜13 C核的总弛豫速率的比率部分。该分析的结果是，在相似的温度下，最大NOE因子和总自旋晶格弛豫时间的图最小，化学位移各向异性值， ACT，对于咪唑鎓阳离子中的芳族碳来说，其温度取决于温度，且最大ACT值与观察到的相同咪唑环碳的平均ACT值与液晶溶液中嘧啶的平均ACT值相似。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2004年第29期|共14页
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W.Robert Carper; Phillip G.Wahlbeck; Andreas Dolle;
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中图分类物理化学（理论化学）、化学物理学;
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1. ~13C NMR Relaxation Rates: Separation of Dipolar and Chemical Shift Anisotropy Effects [J] . W.Robert Carper, Phillip G.Wahlbeck, Andreas Dolle The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2004,第29期

机译：〜13C NMR弛豫速率：偶极和化学位移各向异性效应的分离
2. Major groove width variations in RNA structures determined by NMR and impact of 13C residual chemical shift anisotropy and 1H–13C residual dipolar coupling on refinement [J] . Blanton S. Tolbert, Yasuyuki Miyazaki, Shawn Barton, Journal of Biomolecular NMR . 2010,第3期

机译：NMR测定RNA结构中主要的沟宽变化以及 13 C残留化学位移各向异性和 1 H– 13 C残留偶极偶合的影响细化
3. Cross-Correlated Relaxation of Dipolar Coupling and Chemical-Shift Anisotropy in Magic-Angle Spinning R-1 rho NMR Measurements: Application to Protein Backbone Dynamics Measurements [J] . Kurauskas Vilius, Weber Emmanuelle, Hessel Audrey, The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 2016,第34期

机译：魔术角旋转R-1 rho NMR测量中偶极耦合和化学位移各向异性的互相关弛豫：在蛋白质骨干动力学测量中的应用
4. Solid-state 13C NMR chemical shift anisotropy tensors of polypeptides [C] . Yufeng WEI Beijing conference and exhibition on instrumental analysis;BCEIA . 2001

机译：多肽的固态13C NMR化学位移各向异性张量
5. Development and structural application of NMR methods for the measurement of residual dipolar couplings and phosphorus-31 chemical shift anisotropy in RNA, using ribosomal helix-35 psi(746) as a model molecule. [D] . O'Neil-Cabello, Erin. 2004

机译：使用核糖体螺旋-35 psi（746）作为模型分子，用于测量RNA中残留偶极偶合和磷31化学位移各向异性的NMR方法的开发和结构应用。
6. Solid state 13C NMR of unlabeled phosphatidylcholine bilayers: spectral assignments and measurement of carbon-phosphorus dipolar couplings and 13C chemical shift anisotropies. [O] . C R Sanders 2nd 1993

机译：固态13 C NMR的未标记的磷脂酰胆碱双层：光谱分配和碳磷偶极耦合和13 C化学位移各向异性的测量。
7. Solid state 13C NMR of unlabeled phosphatidylcholine bilayers: spectral assignments and measurement of carbon-phosphorus dipolar couplings and 13C chemical shift anisotropies. [O] . Sanders, C R 1993

机译：固态13 C NMR的未标记的磷脂酰胆碱双层：光谱分配和碳磷偶极耦合和13 C化学位移各向异性的测量。

~13C NMR Relaxation Rates: Separation of Dipolar and Chemical Shift Anisotropy Effects

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