测定核间距的不对称2DNOESY方法Ⅲ．从不对称2DNOESY重叠峰强度求取完整混合系数矩阵

DETERMINATION OF INTERNUCLEAR DISTANCES FROM THE NONSYMMETRIC 2D NOESY METHOD Ⅲ. Extraction of the Complete 2D NOESY Mixing Coefficient Matrix from the Nonsymmetric 2D NOESY Overlapping Peak Intensities

建立了包括重叠峰在内的不对称２ＤＮＯＥＳＹ峰强度来求取完整混合系数矩阵的方法。并应用数值模拟方法验证了其正确性。该方法充分利用了不对称２ＤＮＯＥＳＹ重叠峰强度来求解完整混合系数矩阵，这对大分子体系中核间距的准确计算是有价值的。

A new method is proposed for the determination of the complete 2D NOESYmixing coefficient matrix from the peak intensities of nonsymmetric 2D NOES Y inwhich its overlapping peak intensities are included.The method was confirmed withnumerical simulated studies. The method makes full use of the nonsymmetric 2DNOESY overlapping peak intensities in calculating the full 2D NOESY mixingcoefficient matrix. This may benefit the accurate measurement of internuclear distancesin such complex spin systems as biomacromolecules.