Hybrid NMR: A Union of Solution- and Solid-State NMR,Journal of the American Chemical Society

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Hybrid NMR: A Union of Solution- and Solid-State NMR
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2017-03-23 , DOI: 10.1021/jacs.6b11402
Pallavi Thiagarajan-Rosenkranz ₁ , Adrian W. Draney ₁ , Justin L. Lorieau ₁

Affiliation

Hybrid NMR (hdNMR) is a powerful new tool that combines the strengths of solution- and solid-state NMR to measure dipolar, chemical shift, and quadrupolar tensors in aqueous solution. We introduce the theory of hdNMR and partially randomly oriented (PRO) crystalline hydrogel samples. PRO samples produce randomly oriented spectra with characteristic Pake patterns from the solid state, yet they maintain the high-resolution dispersion of solution NMR experiments. With new pulse sequences, we show how hdNMR can be used to measure with high precision the 1Hα-13Cα dipolar tensor and carboxylate chemical shift anisotropy tensor of aspartate. These measurements contain detailed information on the distribution of electron density, interatomic distances, and the orientation dependence of molecular motion.

中文翻译：

混合核磁共振：溶液和固态核磁共振的结合

混合核磁共振 (hdNMR) 是一种强大的新工具，它结合了溶液和固态核磁共振的优势，可以测量水溶液中的偶极、化学位移和四极张量。我们介绍了 hdNMR 和部分随机取向 (PRO) 结晶水凝胶样品的理论。PRO 样品产生随机取向的光谱，具有来自固态的特征 Pake 图案，但它们保持溶液 NMR 实验的高分辨率分散。通过新的脉冲序列，我们展示了如何使用 hdNMR 高精度测量天冬氨酸的 1Hα-13Cα 偶极张量和羧酸盐化学位移各向异性张量。这些测量包含有关电子密度分布、原子间距离和分子运动方向依赖性的详细信息。

更新日期：2017-03-23

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