Double and adiabatic BANGO for concatenating two NMR experiments relying on the same pool of magnetization

Tamás Milán Nagy; Katalin E Kövér; Ole W Sørensen

doi:10.1016/j.jmr.2020.106767

Double and adiabatic BANGO for concatenating two NMR experiments relying on the same pool of magnetization

J Magn Reson. 2020 Jul:316:106767. doi: 10.1016/j.jmr.2020.106767. Epub 2020 Jun 4.

Authors

Tamás Milán Nagy¹, Katalin E Kövér², Ole W Sørensen³

Affiliations

¹ Department of Inorganic and Analytical Chemistry, University of Debrecen, Egyetem tér 1, H-4032 Debrecen, Hungary.
² 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.
³ Copenhagen, Denmark. Electronic address: sorensen.ole.w@gmail.com.

PMID: 32540729
DOI: 10.1016/j.jmr.2020.106767

Abstract

It is shown how the same pool of magnetization can be tapped twice in two different concatenations of three experiments into a single pulse sequence with only one relaxation delay. This is accomplished by using the BANGO pulse sequence element twice for independent rotations of ¹H magnetization attached or not attached to ¹³C and it includes a refinement of BANGO with an adiabatic ¹³C inversion pulse resulting in improved tolerance to a spread in ¹J_CH coupling constants that translates directly into improved sensitivity of the modular experiment relying on ¹H magnetization attached to ¹³C. The two new pulse sequences are SEA XLOC-HMBC-H2OBC/2BOB and SEA XLOC(ZQ)-SEA XLOC(2Q)-H2OBC/2BOB which both represent a rapid route to complete heteronuclear one-bond and long-range J_CH correlation maps for small molecules, as is demonstrated on ibuprofen and prednisolone.

Keywords: 2BOB; BANGO; H2OBC; HMBC; Heteronuclear correlation; NMR spectroscopy; SEA XLOC.

Publication types

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