A novel ultrafast 2D NMR experiment is introduced for homonuclear correlation spectroscopy in solution state, with diagonal peak suppression in each scan of a two scan procedure. This experiment permits clear visualization of cross peaks between spins whose chemical shifts are very close, which could otherwise be masked by diagonal peaks. The present report describes the principles of its design and illustrates actual performance. © 2014 AIP Publishing LLC.

N Chandrakumar

Department Of Chemistry

Abhishek Banerjee

physical chemistry

Physics

CROSS PEAKS

DIAGONAL PEAKS

HOMONUCLEAR CORRELATION

Ultra-fast

ULTRAFAST 2D NMR

Nuclear magnetic resonance spectroscopy

solution and solubility

Algorithm

chemistry

signal processing

Algorithms

Magnetic Resonance Spectroscopy

Signal Processing, Computer-Assisted

Solutions

Fulltext

IIT Madras is a public technical and research university located in Chennai, Tamil Nadu. Founded in 1959, it is recognised as an Institute of National Importance.

IIT Madras has been ranked as the top engineering institute in India for four years in a row by the National Institutional Ranking Framework of the MHRD

It currently offers undergraduate, postgraduate and research degrees across 16 disciplines in Engineering, Sciences, Humanities and Management. About 596 faculty belonging to science and engineering departments and centres of the Institute are engaged in teaching, research and industrial consultancy.

IIT Madras

Communication: Ultrafast homonuclear correlation spectroscopy with diagonal suppressiona)

Journal of Chemical Physics

Two-dimensional nuclear magnetic resonance (2D NMR) correlation spectra help visualize inter- or intra-molecular spin connectivity through space or through bonds. This is accomplished by magnetization transfer between interacting (connected) spins located at different sites in molecules. In homonuclear 2D experiments, cross peaks which demonstrate spin connectivity and result from magnetization transfer between sites are unfortunately invariably accompanied by other peaks that result from magnetization that has not undergone any transfer, viz., diagonal peaks. The latter can often mask close-lying cross peaks. We report here the general principles that constitute a design strategy for diagonal suppression, relying on echo formation. Next, a novel experiment that effects diagonal suppression in the high-resolution mode is demonstrated. Pure phase capability is also introduced. Examples from both 2D exchange and high-resolution 2D correlation spectroscopy are included, and the proposed method is compared with other established as well as recent attempts to accomplish diagonal suppression. © 2014 American Chemical Society.

Journal of Physical Chemistry A

Two-dimensional nuclear magnetic resonance: Exploiting spin echoes to maximize information content by suppression of diagonal peaks in homonuclear experiments

We report a novel diagonal suppressed two-dimensional total correlation experiment in solution state and demonstrate its performance in 1H and 2H NMR. In DIagonal Suppressed spin echo TOtal Correlation SpectroscopY (DISTOCSY), diagonal peaks which occur around F1 = 0 in spin echo mode are removed by conversion to unobservable multiple quantum or longitudinal terms in each scan of a two scan procedure, on application of an appropriately phased 90° pulse at the time of the echo maximum. The limitation of this approach to short FID acquisition times is discussed, and an alternative two-scan version of DISTOCSY for high resolution situations is presented. © 2015 Elsevier B.V. All rights reserved.

Chemical Physics Letters

1H and 2H NMR: Diagonal suppressed total correlation spectroscopy in spin echo mode

Communication: Ultrafast homonuclear correlation spectroscopy with diagonal suppression

Two dimensional homonuclear 1H correlation spectroscopy is of considerable interest for volume localized spectral studies, both in vivo and in vitro, of biological as well as material objects. The information principally sought from correlation spectra resides in the cross-peaks, which are often masked however by the presence of diagonal peaks in COSY, or 'pseudo-diagonal' peaks at F1 = 0 in SECSY. It has therefore been a concern to suppress these diagonal or 'pseudo-diagonal' peaks, in order to ensure that cross-peak information is fully discernible. We present here a report of our work on volume localized DIagonal Suppressed Spin Echo Correlation specTroscopy (LDISSECT) and demonstrate its performance in comparison to the standard volume localized SECSY experiment, employing brain metabolite phantoms in a gel. The sequence works in the inhomogeneous, multi-component environment by exploiting the short acquisition time to suppress undesired information by employing an additional rf pulse. A brief description of the pulse sequence, its theory, and simulations are also included, besides experimental benchmarking on two brain metabolite phantoms in gel phase. © 2013 Elsevier Inc. All rights reserved.

Journal of Magnetic Resonance

Volume localized spin echo correlation spectroscopy with suppression of 'diagonal' peaks

Ultrafast acquisition of localized two-dimensional magnetic resonance correlated spectra of inhomogeneous biological tissues with resolution improvements

A general method for diagonal peak suppression in homonuclear correlated NMR spectra by spatially and frequency selective pulses

Spatially encoded ultrafast high-resolution 2D homonuclear correlation spectroscopy in inhomogeneous fields

Journal	Data powered by TypesetJournal of Chemical Physics
Publisher	Data powered by TypesetAmerican Institute of Physics Inc.
ISSN	00219606
Open Access	No