公开(公告)号：US6133736A

公开(公告)日：2000-10-17

申请号：US164278

申请日：1998-10-01

申请人： Konstantin Pervushin ,  Gerhard Wider ,  Roland Riek ,  Kurt Wuthrich

发明人： Konstantin Pervushin ,  Gerhard Wider ,  Roland Riek ,  Kurt Wuthrich

IPC分类号： G01N24/08 ,  A61K49/06 ,  G01R33/46 ,  G01R33/465 ,  G01V3/00

CPC分类号： G01R33/4608 ,  A61K49/06

摘要： A method for obtaining a nuclear magnetic resonance (NMR) correlation spectrum of heteronuclear spin systems, in particular comprising large molecules, especially biological macromolecules in solution, the spin system being subjected to a homogeneous magnetic field B.sub.0, being irradiated by a sequence of radio frequency (rf) pulses, is characterized in that the spin system comprises at least two kinds of spin 1/2 nuclei I and S being coupled to each other, whereby the sequence of rf pulses is chosen such that line broadening in the observed spectrum due to transverse relaxation (T.sub.2) is significantly reduced because of cross correlation between dipole--dipole (DD) coupling of the spins and chemical shift anisotropy (CSA), giving rise to different relaxation rates of the individual multiplet components of the spin system and chosen such that the relaxation effects of the two different mechanisms cancel each other out to a large degree. Thus, even very large biological macromolecules can be measured.

摘要翻译： 一种获得异核自旋体系的核磁共振（NMR）相关谱的方法，特别是包括大分子，尤其是溶液中的生物大分子，旋转系统受到均匀磁场B0的照射，由射频序列 （rf）脉冲的特征在于，自旋系统包括至少两种旋转+ E，fra 1/2 + EE核I和S彼此耦合，由此选择rf脉冲序列使得线展宽 由于横向松弛（T2）的观察光谱由于自旋的偶极 - 偶极（DD）耦合和化学位移各向异性（CSA）之间的相互关系而显着降低，导致了各种多重态分量的松弛率不同 旋转系统并选择使得两种不同机制的松弛效果在很大程度上相互抵消。 因此，甚至可以测量非常大的生物大分子。

公开(公告)号：US20060273797A1

公开(公告)日：2006-12-07

申请号：US11439161

申请日：2006-05-24

申请人： Francesco Fiorito ,  Sebastian Hiller ,  Gerhard Wider ,  Kurt Wuthrich

发明人： Francesco Fiorito ,  Sebastian Hiller ,  Gerhard Wider ,  Kurt Wuthrich

IPC分类号： G01V3/00

CPC分类号： G01R33/4625

摘要： A method of projection spectroscopy for N-dimensional NMR experiments with the following steps. Data recording comprising: a) selection of N-dimensional NMR experiments out of a group of N-dimensional experiments, selection of the dimensionalities (Di) of the projections and unconstrained selection of j sets of projection angles, with j≧2; b) recording of discrete sets of j projections from the N-dimensional NMR experiments at the selected projection angles; c) peak picking and creating a peak list for each of the j projection spectra is characterized by d) automated identification of peaks in the projection spectra that arise from the same resonance in the N-dimensional spectrum (N≧3) using vector algebra to exploit geometrical properties of projections in the N-dimensional space, and computation of a N-dimensional peak list using vector algebra to exploit geometrical properties of projections in the N-dimensional space. A reliable method of automated projection spectroscopy without restrictions on projection angles and dimensionality is thereby realized.

摘要翻译： 一种用于N维NMR实验的投影光谱的方法，具有以下步骤。 数据记录包括：a）从一组N维实验中选择N维NMR实验，选择投影的维度（D）和投影角度的j组投影角度的非约束选择 ，j> = 2; b）以所选投影角从N维NMR实验记录离散的j个投影集; c）对于每个j个投影光谱的峰值采样和创建峰值列表的特征在于d）使用矢量代数在N维谱中从相同共振产生的投影光谱中自动识别峰值（N> = 3） 利用N维空间中的投影的几何特性，以及使用向量代数计算N维峰值列表，以利用N维空间中的投影的几何特性。 从而实现了对投影角度和维度没有限制的自动投影光谱的可靠方法。

公开(公告)号：US4510449A

公开(公告)日：1985-04-09

申请号：US438181

申请日：1982-11-01

申请人： Richard R. Ernst ,  Kurt Wuthrich ,  Slobodan Macura

发明人： Richard R. Ernst ,  Kurt Wuthrich ,  Slobodan Macura

IPC分类号： G01N24/12 ,  G01R33/46 ,  G06T1/00 ,  G01R33/08

CPC分类号： G01R33/4633

摘要： In recording two-dimensional nuclear magnetic resonance spectra, J cross peaks which hinder the interpretation of the spectragram and mask cross peaks of incoherent exchange processes or transfers are eliminated by one of two methods. In the first method, for each repetition of a measurement with an evolution period t.sub.1 between the first and second of two successive 90 degree pulses, the interval between the second and third 90 degree pulse (mixing time t.sub.m) is varied systematically in proportion to the evolution period. The two-dimensional spectra obtained is subjected to triangular multiplication or symmetrization so that all peaks which do not possess counterparts at the mirror symmetry positions of the main diagonal are eliminated. In the second method, the mixing time is kept constant and a 180 degree pulse is inserted between the second and third 90 degree pulse with a varying interval t.sub.p between the 180 degree pulse and the second 90 degree pulse for each repetition of a measurement. A spectrometer for carrying out this method permits critical parameters to be adjusted.

摘要翻译： 在记录二维核磁共振谱中，通过两种方法之一消除了妨碍光谱解释和掩蔽非相干交换过程或传输的交叉峰的J个交叉峰。 在第一种方法中，对于在两个连续90度脉冲的第一和第二之间的演化周期t1的测量的每次重复，第二和第三90度脉冲之间的间隔（混合时间tm）按照与 进化期 所获得的二维光谱受到三角形乘法或对称化，从而消除了在主对角线的反射镜对称位置处不具有对应物的所有峰。 在第二种方法中，混合时间保持恒定，并且在第二和第三90度脉冲之间以每次重复测量的180度脉冲和第二90度脉冲之间的变化间隔tp插入180度脉冲。 用于执行该方法的光谱仪允许调整关键参数。