Regularized resolvent transform for direct calculation of 45° projections of 2D J spectra

被引:13
作者
Armstrong, GS [1 ]
Chen, JH [1 ]
Cano, KE [1 ]
Shaka, A [1 ]
Mandelshtam, VA [1 ]
机构
[1] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA
基金
美国国家科学基金会;
关键词
spectral estimation; resolution enhancement; regularized resolvent transform; filter diagonalization method; 2D J spectrum;
D O I
10.1016/S1090-7807(03)00129-0
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
The regularized resolvent transform (RRT) has been applied in a novel way to J-resolved spectra. This involves the direct calculation of the 45degrees projection without constructing the 2D spectrum. The results show a significant resolution enhancement over that obtained by the 45degrees projection of a 2D Fourier spectrum, even for much larger signals. In particular, RRT is able to resolve peaks that belong to different overlapping multiplets in a very crowded spectral region, where the conventional technique fails for any signal size. The resolving power of this method along with the significantly shorter signals required, make this method a powerful tool in spectral assignment. (C) 2003 Elsevier Science (USA). All rights reserved.
引用
收藏
页码:136 / 144
页数:9
相关论文
共 18 条
[1]   HOMONUCLEAR BROAD-BAND DECOUPLING AND 2-DIMENSIONAL J-RESOLVED NMR-SPECTROSCOPY [J].
AUE, WP ;
KARHAN, J ;
ERNST, RR .
JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (10) :4226-4227
[2]   INVESTIGATION OF COMPLEX NETWORKS OF SPIN-SPIN COUPLING BY TWO-DIMENSIONAL NMR [J].
BAX, A ;
FREEMAN, R .
JOURNAL OF MAGNETIC RESONANCE, 1981, 44 (03) :542-561
[3]   DOUBLE FOURIER TRANSFORMATION IN HIGH-RESOLUTION NMR [J].
BODENHAUSEN, G ;
FREEMAN, R ;
NIEDERMEYER, R ;
TURNER, DL .
JOURNAL OF MAGNETIC RESONANCE, 1977, 26 (01) :133-164
[4]   RRT: The regularized resolvent transform for high-resolution spectral estimation [J].
Chen, JH ;
Shaka, AJ ;
Mandelshtam, VA .
JOURNAL OF MAGNETIC RESONANCE, 2000, 147 (01) :129-137
[5]   Regularization of the two-dimensional filter diagonalization method: FDM2K [J].
Chen, JH ;
Mandelshtam, VA ;
Shaka, AJ .
JOURNAL OF MAGNETIC RESONANCE, 2000, 146 (02) :363-368
[6]  
de Boor C., 1978, PRACTICAL GUIDE SPLI, DOI DOI 10.1007/978-1-4612-6333-3
[7]   DIGITAL FILTERING WITH A SINUSOIDAL WINDOW FUNCTION - ALTERNATIVE TECHNIQUE FOR RESOLUTION ENHANCEMENT IN FT NMR [J].
DEMARCO, A ;
WUTHRICH, K .
JOURNAL OF MAGNETIC RESONANCE, 1976, 24 (02) :201-204
[8]   THE GENERALIZED SCHUR DECOMPOSITION OF AN ARBITRARY PENCIL-A - LAMBDA-B - ROBUST SOFTWARE WITH ERROR-BOUNDS AND APPLICATIONS .1. THEORY AND ALGORITHMS [J].
DEMMEL, J ;
KAGSTROM, B .
ACM TRANSACTIONS ON MATHEMATICAL SOFTWARE, 1993, 19 (02) :160-174
[9]   The multidimensional filter diagonalization method - II. Application to 2D projections of 2D, 3D, and 4D NMR experiments [J].
Hu, HT ;
De Angelis, AA ;
Mandelshtam, VA ;
Shaka, AJ .
JOURNAL OF MAGNETIC RESONANCE, 2000, 144 (02) :357-366
[10]   FDM: the filter diagonalization method for data processing in NMR experiments [J].
Mandelshtam, VA .
PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY, 2001, 38 (02) :159-196