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用于小分子结构解析的残余化学位移各向异性的增强测量。

Enhanced measurement of residual chemical shift anisotropy for small molecule structure elucidation.

作者信息

Liu Yizhou, Cohen Ryan D, Gustafson Kirk R, Martin Gary E, Williamson R Thomas

机构信息

Structure Elucidation Group, Process and Analytical Research and Development, Merck & Co. Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA.

出版信息

Chem Commun (Camb). 2018 Apr 24;54(34):4254-4257. doi: 10.1039/c8cc00552d.

DOI:10.1039/c8cc00552d
PMID:29505044
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6322199/
Abstract

A method is introduced to measure residual chemical shift anisotropies conveniently and accurately in the mesophase of poly-γ-(benzyl-l-glutamate). The alignment amplitude is substantially enhanced over common methods which greatly benefits measurements particularly on sp3 carbons. The approach offers significant improvements in data accuracy and utility for small molecule structure determination.

摘要

介绍了一种在聚-γ-（苄基-L-谷氨酸）中间相中方便、准确地测量残余化学位移各向异性的方法。与常用方法相比，该方法的取向幅度显著提高，这对测量特别是sp3碳的测量非常有利。该方法在小分子结构测定的数据准确性和实用性方面有显著改进。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/27bf/6322199/551c8e5ac5c9/nihms-999720-f0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/27bf/6322199/2e13b3fefca2/nihms-999720-f0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/27bf/6322199/95caad91faaa/nihms-999720-f0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/27bf/6322199/0f8ca0097194/nihms-999720-f0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/27bf/6322199/551c8e5ac5c9/nihms-999720-f0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/27bf/6322199/2e13b3fefca2/nihms-999720-f0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/27bf/6322199/95caad91faaa/nihms-999720-f0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/27bf/6322199/0f8ca0097194/nihms-999720-f0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/27bf/6322199/551c8e5ac5c9/nihms-999720-f0004.jpg

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