Measuring JHH values with a selective constant-time 2D NMR protocol

Liangjie Lin, Zhiliang Wei, Yanqin Lin, Zhong Chen

Research output: Contribution to journalArticle

Abstract

Proton-proton scalar couplings play important roles in molecule structure elucidation. However, measurements of JHH values in complex coupled spin systems remain challenging. In this study, we develop a selective constant-time (SECT) 2D NMR protocol with which scalar coupling networks involving chosen protons can be revealed, and corresponding JHH values can be measured through doublets along the F1 dimension. All JHH values within a network of n fully coupled protons can be separately determined with (n − 1) SECT experiments. Additionally, the proposed pulse sequence possesses satisfactory sensitivity and handy implementation. Therefore, it will interest scientists who intend to address structural analyzes of molecules with overcrowded spectra, and may greatly facilitate the applications of scalar-coupling constants in molecule structure studies.

Original languageEnglish (US)
Pages (from-to)20-24
Number of pages5
JournalJournal of Magnetic Resonance
Volume272
DOIs
StatePublished - Nov 1 2016
Externally publishedYes

Fingerprint

time constant
Protons
Nuclear magnetic resonance
nuclear magnetic resonance
protons
scalars
Molecules
molecules
sensitivity
pulses
Experiments

Keywords

  • Constant time
  • J value
  • NMR spectroscopy
  • Scalar coupling
  • Structure elucidation

ASJC Scopus subject areas

  • Biophysics
  • Biochemistry
  • Nuclear and High Energy Physics
  • Condensed Matter Physics

Cite this

Measuring JHH values with a selective constant-time 2D NMR protocol. / Lin, Liangjie; Wei, Zhiliang; Lin, Yanqin; Chen, Zhong.

In: Journal of Magnetic Resonance, Vol. 272, 01.11.2016, p. 20-24.

Research output: Contribution to journalArticle

Lin, Liangjie ; Wei, Zhiliang ; Lin, Yanqin ; Chen, Zhong. / Measuring JHH values with a selective constant-time 2D NMR protocol. In: Journal of Magnetic Resonance. 2016 ; Vol. 272. pp. 20-24.
@article{830569ccf3854797a5e7c4ed447fc718,
title = "Measuring JHH values with a selective constant-time 2D NMR protocol",
abstract = "Proton-proton scalar couplings play important roles in molecule structure elucidation. However, measurements of JHH values in complex coupled spin systems remain challenging. In this study, we develop a selective constant-time (SECT) 2D NMR protocol with which scalar coupling networks involving chosen protons can be revealed, and corresponding JHH values can be measured through doublets along the F1 dimension. All JHH values within a network of n fully coupled protons can be separately determined with (n − 1) SECT experiments. Additionally, the proposed pulse sequence possesses satisfactory sensitivity and handy implementation. Therefore, it will interest scientists who intend to address structural analyzes of molecules with overcrowded spectra, and may greatly facilitate the applications of scalar-coupling constants in molecule structure studies.",
keywords = "Constant time, J value, NMR spectroscopy, Scalar coupling, Structure elucidation",
author = "Liangjie Lin and Zhiliang Wei and Yanqin Lin and Zhong Chen",
year = "2016",
month = "11",
day = "1",
doi = "10.1016/j.jmr.2016.08.019",
language = "English (US)",
volume = "272",
pages = "20--24",
journal = "Journal of Magnetic Resonance",
issn = "1090-7807",
publisher = "Academic Press Inc.",

}

TY - JOUR

T1 - Measuring JHH values with a selective constant-time 2D NMR protocol

AU - Lin, Liangjie

AU - Wei, Zhiliang

AU - Lin, Yanqin

AU - Chen, Zhong

PY - 2016/11/1

Y1 - 2016/11/1

N2 - Proton-proton scalar couplings play important roles in molecule structure elucidation. However, measurements of JHH values in complex coupled spin systems remain challenging. In this study, we develop a selective constant-time (SECT) 2D NMR protocol with which scalar coupling networks involving chosen protons can be revealed, and corresponding JHH values can be measured through doublets along the F1 dimension. All JHH values within a network of n fully coupled protons can be separately determined with (n − 1) SECT experiments. Additionally, the proposed pulse sequence possesses satisfactory sensitivity and handy implementation. Therefore, it will interest scientists who intend to address structural analyzes of molecules with overcrowded spectra, and may greatly facilitate the applications of scalar-coupling constants in molecule structure studies.

AB - Proton-proton scalar couplings play important roles in molecule structure elucidation. However, measurements of JHH values in complex coupled spin systems remain challenging. In this study, we develop a selective constant-time (SECT) 2D NMR protocol with which scalar coupling networks involving chosen protons can be revealed, and corresponding JHH values can be measured through doublets along the F1 dimension. All JHH values within a network of n fully coupled protons can be separately determined with (n − 1) SECT experiments. Additionally, the proposed pulse sequence possesses satisfactory sensitivity and handy implementation. Therefore, it will interest scientists who intend to address structural analyzes of molecules with overcrowded spectra, and may greatly facilitate the applications of scalar-coupling constants in molecule structure studies.

KW - Constant time

KW - J value

KW - NMR spectroscopy

KW - Scalar coupling

KW - Structure elucidation

UR - http://www.scopus.com/inward/record.url?scp=84985995393&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84985995393&partnerID=8YFLogxK

U2 - 10.1016/j.jmr.2016.08.019

DO - 10.1016/j.jmr.2016.08.019

M3 - Article

VL - 272

SP - 20

EP - 24

JO - Journal of Magnetic Resonance

JF - Journal of Magnetic Resonance

SN - 1090-7807

ER -