用于测量连接在¹³C上的质子之间标量自旋-自旋耦合常数的新型亚甲基特异性实验。
New methylene specific experiments for the measurement of scalar spin-spin coupling constants between protons attached to 13C.
作者信息
Carlomagno T, Schwalbe H, Rexroth A, Sorensen O W, Griesinger C
机构信息
Institut für Organische Chemie, Universität Frankfurt, Marie-Curie Strasse 11, Frankfurt/Main, D-60439, Germany.
出版信息
J Magn Reson. 1998 Nov;135(1):216-26. doi: 10.1006/jmre.1998.1545.
New two- and three-dimensional NMR methods are proposed for the measurement of 3J(H, H) coupling constants between two adjacent methylene moieties. The new experiment, which is based on a combination of the E.COSY principle and double/zero quantum heteronuclear spectroscopy, has been applied to diaceton-glucose and to the protein rhodniin. The coupling constants of CH-CH2 groups have been compared with those obtained from a HCCH-E.COSY experiment to check the reliability of the results. An analysis of the coupling constants derived by comparison between experimental and simulated spectra is presented. Simulations were done with the program wtest considering fully correlated dipolar relaxation. Side-chain conformations in amino acids with adjacent methylene groups can be determined by the new experiment.
提出了用于测量两个相邻亚甲基部分之间的3J(H, H)耦合常数的新的二维和三维核磁共振方法。基于E.COSY原理与双/零量子异核光谱相结合的新实验已应用于二乙酰葡萄糖和蛋白质红菌素。已将CH-CH2基团的耦合常数与通过HCCH-E.COSY实验获得的耦合常数进行比较，以检验结果的可靠性。给出了通过实验光谱与模拟光谱比较得出的耦合常数分析。使用考虑完全相关偶极弛豫的wtest程序进行模拟。新实验可确定具有相邻亚甲基基团的氨基酸中的侧链构象。
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