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Self-Assembled Oligopeptide (FK)4 as a Chiral Alignment Medium for the Anisotropic NMR Analysis of Organic Compounds
ACS Applied Materials & Interfaces ( IF 8.3 ) Pub Date : 2022-06-16 , DOI: 10.1021/acsami.2c05506
Gangjin Yu 1, 2 , Guan Wang 1, 2 , Mojie Duan 1, 2 , Bin Jiang 1, 2 , Xu Zhang 1, 2 , Conggang Li 1, 2 , Lichun He 1, 2 , Maili Liu 1, 2, 3
Affiliation  

Anisotropic NMR parameters have been proven to be powerful for the structural elucidation of organic molecules. Herein, we present an alignment medium based on the self-assembled (FK)4 oligopeptide, showing excellent properties in measurements of anisotropic NMR parameters in both D2O and CD3OD. The preparation of the (FK)4-based alignment medium is simple and rapid. The low viscosity of the anisotropic phase makes it easy to be transferred to the NMR tube. The alignment of the oligopeptide is fast, stable, and homogeneous, with weak background signals, permitting the acquirement of high-quality NMR spectra. The performance of this alignment medium in residual dipolar coupling measurements and diastereomer discriminations is demonstrated by analyzing several different analytes. The enantiodiscrimination property of the (FK)4 oligopeptide is revealed by the difference of residual chemical shift anisotropy of the two enantiomers in the 1D 13C spectrum, granting its potential use for the quantification and identification of enantiomers of small molecules.

中文翻译:

自组装寡肽 (FK)4 作为手性排列介质用于有机化合物的各向异性 NMR 分析

各向异性 NMR 参数已被证明对有机分子的结构解析非常有用。在此,我们提出了一种基于自组装 (FK) 4寡肽的排列介质,在测量 D 2 O 和 CD 3 OD的各向异性 NMR 参数方面表现出优异的性能。(FK) 4的制备基对准介质简单快速。各向异性相的低粘度使其易于转移到 NMR 管中。寡肽的比对快速、稳定且均匀,背景信号较弱,可获取高质量的 NMR 光谱。通过分析几种不同的分析物,证明了这种对齐介质在残余偶极耦合测量和非对映异构体鉴别中的性能。(FK) 4寡肽的对映区分特性通过1D 13 C 光谱中两种对映异构体的残余化学位移各向异性的差异揭示,使其在小分子对映异构体的定量和鉴定中具有潜在用途。
更新日期:2022-06-16
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