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

波谱学杂志 ›› 1993, Vol. 10 ›› Issue (3): 241-250.

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

缪希茄^1,2, 韩秀文¹, 胡皆汉¹

1. 中国科学院大连化学物理研究所, 大连 116023;
2. 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:1992-06-25 修回日期:1993-04-05 出版日期:1993-09-05 发布日期:2018-01-20

DETERMINATION OF INTERNUCLEAR DISTANCES FROM THE NONSYMMETRIC 2D NOESY METHOD——1. Measurement for the full matrix of,2D NOESY mixing coefficient by the nonsymmetric, 2D NOESY

Miao Xijia^1,2, Han Xiuwen¹, Hu Jiehan¹

1. Dalian Institute of Chemical Physics, The Chinese Academy of Sciences, Dalian 116023;
2. State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Instituteof Physics, The Chinese Academy of Sciences, Wuhan 430071

Received:1992-06-25 Revised:1993-04-05 Online:1993-09-05 Published:2018-01-20

摘要/Abstract

摘要： 本文提出不对称2D NOESY实验方法来测定完整的2D NOESY混合系数矩阵。理论研究表明,不对称2D NOESY实验信澡比要比传统2D NOESY的高,不对称2D NOESY峰强度矩阵是非对称的,因此可以只用不对称2D NOESY的非对角峰强度来求得完整的2D NOESY混合系数矩阵,避免测量大分子等复杂自旋系统的严重重叠的对角峰强度所引起的困难,而这是传统2D NOESY实验方法所无法作到的。本文最后应用数值模拟方法对理论研究结果进行了计算验证。

关键词: 不对称2D NOESY, 混合系数矩阵, 核交叉弛豫速率, 核间距

Abstract: The nonsymmetric 2D NOESY method is proposed to measure the full 2D NOESY mixing coefficient matrix. Theoretical researchs showed that the nonsymmetric 2D NOESY has a nonsymmetric peak intensity matrix and a higher signal-to-noise ratio than the conventional one. Therefore, it is possible that the full 2D NOESY mixing coefficient matrix can be obtained only from the off-diagonal elements of peak intensity matrix of the nonsymmetric 2D NOESY, which is impossible for the conventional 2D NOESY, and the peak intensity measurement of overlapping diagonal elements of the nonsymmetric 2D NOESY in such spin systems as biomacromolecules may be avoided doing. In the final the theoretical results were confirmed with numerical simulated studies.

Key words: Nonsymmetric 2D NOESY, 2D NOESY mixing coefficient matrix, Nuclear cross-relaxation rate, Internuclear distance

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.

Miao Xijia, Han Xiuwen, Hu Jiehan. DETERMINATION OF INTERNUCLEAR DISTANCES FROM THE NONSYMMETRIC 2D NOESY METHOD——1. Measurement for the full matrix of,2D NOESY mixing coefficient by the nonsymmetric, 2D NOESY[J]. Chinese Journal of Magnetic Resonance, 1993, 10(3): 241-250.

[1]	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.
[2]	缪希茄, 胡皆汉, 韩秀文. 大分子中磁偶极弛豫的分离[J]. 波谱学杂志, 1994, 11(2): 181-186.
[3]	缪希茄, 韩秀文, 胡皆汉. 测定核间距的不对称2D NOESY方法2.Cis-Pt(NH₃)₂(Guo)₂Cl₂的不对称2D NOESY实验研究[J]. 波谱学杂志, 1994, 11(1): 27-33.
[4]	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.