Four-in-one: HSQC, HSQC-TOCSY (or H2BC), TOCSY, and enhanced HMBC spectra integrated into a single NO Relaxation Delay (NORD) NMR experiment

László Bence Farkas; István Timári; Katalin E Kövér; Ole W Sørensen

doi:10.1016/j.jmr.2022.107297

Four-in-one: HSQC, HSQC-TOCSY (or H2BC), TOCSY, and enhanced HMBC spectra integrated into a single NO Relaxation Delay (NORD) NMR experiment

J Magn Reson. 2022 Oct:343:107297. doi: 10.1016/j.jmr.2022.107297. Epub 2022 Sep 9.

Authors

László Bence Farkas¹, István Timári², Katalin E Kövér³, Ole W Sørensen⁴

Affiliations

¹ Department of Inorganic and Analytical Chemistry, University of Debrecen, Egyetem tér 1, H-4032 Debrecen, Hungary.
² Department of Organic Chemistry, University of Debrecen, Egyetem tér 1, H-4032 Debrecen, Hungary.
³ Department of Inorganic and Analytical Chemistry, University of Debrecen, Egyetem tér 1, H-4032 Debrecen, Hungary; MTA-DE Molecular Recognition and Interaction Research Group, University of Debrecen, Hungary. Electronic address: kover@science.unideb.hu.
⁴ Copenhagen, Denmark.

PMID: 36174396
DOI: 10.1016/j.jmr.2022.107297

Abstract

The NMR pulse sequence design strategy of NORD (NO Relaxation Delay) is extended to design of two new three-module experiments, NORD {HMBC}-{HSQC-TOCSY}-{TOCSY} and NORD {HMBC}-{2BOB}-{TOCSY}, each delivering four spectra - HMBC, HSQC, TOCSY, and either HSQC-TOCSY or H2BC. Compared to individual recording of these spectra particularly the sensitivity of the least sensitive module, HMBC, is enhanced by designing the homonuclear TOCSY module to allow buildup of magnetization pertinent to HMBC during its execution. Effectively, the sensitivity of the heteronuclear modules is boosted at the expense of the inherently much higher TOCSY sensitivity, thus resulting in a significant saving in spectrometer time.

Keywords: 2BOB; BANGO; HMBC; HSQC-TOCSY; NORD spectroscopy; TIG-BIRD; TOCSY.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Magnetic Resonance Imaging*
Magnetic Resonance Spectroscopy / methods