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

波谱学杂志 ›› 1995, Vol. 12 ›› Issue (3): 261-268.

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

缪希茄, 毛诗珍, 林东海, 叶朝辉

中国科学院武汉物理研究所波谱与原子分子物理国家重点实验室, 武汉 430071

收稿日期:1993-09-13 修回日期:1994-03-21 出版日期:1995-06-05 发布日期:2018-01-17
基金资助:
国家自然科学基金,中科院武汉物理所波谱与原子分子物理国家重点实验室基金

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

Miao Xijia, Mao Shizhen, Lin Donghai, Ye Chaohui

State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics, The Chinese Academy of Sciences, Wuhan 430071

Received:1993-09-13 Revised:1994-03-21 Online:1995-06-05 Published:2018-01-17

摘要/Abstract

摘要： 建立了包括重叠峰在内的不对称2D NOESY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2D NOESY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。

关键词: 不对称2D NOESY, 重叠峰, 混合系数矩阵

Abstract: A new method is proposed for the determination of the complete 2D NOESY mixing coefficient matrix from the peak intensities of nonsymmetric 2D NOESY in which its overlapping peak intensities are included.The method was confirmed with numerical simulated studies.The method makes full use of the nonsymmetric 2D NOESY overlapping peak intensities in calculating the full 2D NOESY mixing coefficient matrix.This may benefit the accurate measurement of internuclear distances in such complex spin systems as biomacromolecules.

Key words: Nonsymmetric 2D NOESY, Overlapping peak, 2D NOESY mixing coefficientmatrix

缪希茄, 毛诗珍, 林东海, 叶朝辉. 测定核间距的不对称2D NOESY方法Ⅲ.从不对称2D NOESY重叠峰强度求取完整混合系数矩阵[J]. 波谱学杂志, 1995, 12(3): 261-268.

Miao Xijia, Mao Shizhen, Lin Donghai, Ye Chaohui. 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[J]. Chinese Journal of Magnetic Resonance, 1995, 12(3): 261-268.

[1]	缪希茄, 胡皆汉, 韩秀文. 从单个混合时间的2D NOESY峰强度矩阵求取核间距[J]. 波谱学杂志, 1993, 10(4): 343-351.
[2]	缪希茄, 韩秀文, 胡皆汉. 测定核间距的不对称2D NOESY方法——1.从不对称2D NOESY峰强度求取完整的混合系数矩阵[J]. 波谱学杂志, 1993, 10(3): 241-250.