天然有机化合物NOESY谱的全弛豫矩阵分析

COMPLETE RELAXATION MATRIX ANALYSIS OF NOESY SPECTRUM OF NATURAL ORGANIC COMPOUNDS

本文用定量处理2D NOE实验数据最精确的方法—全弛豫矩阵分析法定量分析了天然有机化合物显脉香茶菜素的相敏NOESY谱,计算出显脉香茶菜素分子中各质子间的交叉弛豫速率,根据1/rtf6∝σtf计算出相应的质子间距离,结果表明:用全弛豫矩阵分析法计算出的质子间距与分子力学计算以及用单晶X-射线衍射法测得的质子间距离基本一致,为用核磁共振方法确定分子在溶液中的三维空间结构提供了可靠的结构参数。

The complete relaxation matrix analysis method was used to process the peak intensity matrix of phase sensitive NOESY spectrum of nervosin. The cross relaxation rates between proton pairs were obtained by diagonalizing the peak intensity matrix of NOESY spectrum and the inter-proton distances in nervosin molecule were calculated according to 1/γtf6∝σtf. The calculated results of complete relaxation matrix analysis method are in agreement with the inter-proton distances calculated by molecular mechanics and determined by single crystal X -ray diffraction method.