THE REDOR TRANSFORM - DIRECT CALCULATION OF INTERNUCLEAR COUPLINGS FROM DIPOLAR-DEPHASING NMR DATA

被引:119
作者
MUELLER, KT [1 ]
JARVIE, TP [1 ]
AURENTZ, DJ [1 ]
ROBERTS, BW [1 ]
机构
[1] CORNELL UNIV,ATOM & SOLID STATE PHYS LAB,ITHACA,NY 14853
基金
美国国家科学基金会;
关键词
D O I
10.1016/0009-2614(95)00773-W
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Rotational-echo double-resonance (REDOR) is a dipolar-dephasing NMR technique that provides measurement of dipolar couplings between nuclei in solids, and therefore allows calculation of internuclear distances. Time-domain REDOR dephasing signals do not oscillate in a periodic manner, and the analysis of frequency- and time-domain signals is complicated when discrete or continuous distributions of couplings are present. We introduce a new analytic transform method, analogous to a Fourier transform, that produces resonances at the dipolar coupling frequencies present in the REDOR signal, Computer simulations are used to demonstrate and explore details of the REDOR transform.
引用
收藏
页码:535 / 542
页数:8
相关论文
共 18 条
[11]   DETERMINATION OF A PRECISE INTERATOMIC DISTANCE IN A HELICAL PEPTIDE BY REDOR NMR [J].
MARSHALL, GR ;
BEUSEN, DD ;
KOCIOLEK, K ;
REDLINSKI, AS ;
LEPLAWY, MT ;
PAN, Y ;
SCHAEFER, J .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1990, 112 (03) :963-966
[12]  
MULLER KT, 1995, J MAGN RESON SER A, V113, P81
[13]   DETERMINATION OF C-N INTERNUCLEAR DISTANCES BY ROTATIONAL-ECHO DOUBLE-RESONANCE NMR OF SOLIDS [J].
PAN, Y ;
GULLION, T ;
SCHAEFER, J .
JOURNAL OF MAGNETIC RESONANCE, 1990, 90 (02) :330-340
[14]  
Prudnikov A. B., 1986, INTEGRALS SERIES, V2
[15]   INTERNUCLEAR DISTANCE MEASUREMENT BETWEEN DEUTERIUM (I = 1) AND A SPIN-1/2 NUCLEUS IN ROTATING SOLIDS [J].
SCHMIDT, A ;
MCKAY, RA ;
SCHAEFER, J .
JOURNAL OF MAGNETIC RESONANCE, 1992, 96 (03) :644-650
[16]  
SOLLFREY W, 1969, RM5886PR RAND CORP
[17]  
VNECK ERH, 1993, SOLID STATE NUCL MAG, V2, P307
[18]  
Wolfram S., 1991, MATH SYSTEM DOING MA