Measurement of Residual Dipolar Couplings of Organic Molecules in Multiple Solvent Systems Using a Liquid-Crystalline-Based Medium |
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| Authors: | Dr Si-Yong Qin Yan Jiang Dr Han Sun Han Liu Prof Ai-Qing Zhang Prof Xinxiang Lei |
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| Institution: | 1. Key Laboratory of Catalysis and Energy Materials Chemistry of Ministry of Education & Hubei Key Laboratory of Catalysis and Materials Science, South-Central University for Nationalities, Wuhan, 430074 China;2. Section of Structural Biology, Leibniz-Forschungsinstitut für Molekulare Pharmakologie (FMP), 13125 Berlin, Germany;3. School of Pharmaceutical Sciences, South-Central University for Nationalities, Wuhan, 430074 China |
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| Abstract: | Residual dipolar coupling (RDC), a robust anisotropic NMR parameter for structural elucidation of organic molecules, is only accessible in an anisotropic environment. Herein, we introduce a novel alignment medium based on the molecular self-assembly of oligopeptide amphiphile (OPA). This medium is compatible with different intermediate and polar solvent systems, such as CD3OD, D6]DMSO, and D2O. The preparation of the OPA-based medium is simple and rapid, while only very weak background signals were observed from OPAs. Furthermore, we show that the purity of OPA has only a minor influence on the quality of the RDC data. These advantages allow RDC measurements of organic molecules with different polarities and solubilities with high efficiency and accuracy. |
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| Keywords: | alignment media lyotropic liquid crystals NMR spectroscopy peptide self-assembly residual dipolar coupling |
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