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

Journal of Magnetic Resonance 164 (2003) 136–144 /locate/jmr Regularized resolvent transform for direct calculation of 45 projections of 2D J spectra Geoffrey S. Armstrong, Jianhan Chen, Kristin E. Cano, A.J. Shaka, and Vladimir A. Mandelshtam* Department of Chemistry, University of California, Irvine, CA 92697-2025, USA Received 7 March 2003; revised 8 March 2003 Abstract The regularized resolvent transform (RRT) has been applied in a novel way to J-resolved spectra. This involves the direct calculation of the 45 projection without constructing the 2D spectrum. The results show a significant resolution enhancement over that obtained by the 45 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. 2003 Elsevier Science (USA). All rights reserved. Keywords: Spectral estimation; Resolution enhancement; Regularized resolvent transform; Filter diagonalization method; 2D J spectrum 1. Introduction projection from a 2D spectrum. The 1D projection is calculated directly from the data to yield singlets that While coupled proton spectra contain a lot of infor- ar