Literature DB >> 27743456

Perspectives in the application of residual dipolar couplings in the structure elucidation of weakly aligned small molecules.

Volker Schmidts1.   

Abstract

This perspective article aims to review the general methodology in the application of residual dipolar couplings (RDCs) in the structure elucidation of small molecules and give the author's view on challenges for future applications. Recent improvements in the availability of alignment media, new pulse sequences for the measurement of couplings and improvements in the analysis software have garnered widespread interest in the technique. However, further generalization is needed in order to make RDC analysis into a truly "routine" method.
Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Keywords:  13C; 1H; NMR; configurational assignment; conformational analysis; perspectives; residual dipolar couplings; small molecules; structural elucidation

Year:  2016        PMID: 27743456     DOI: 10.1002/mrc.4543

Source DB:  PubMed          Journal:  Magn Reson Chem        ISSN: 0749-1581            Impact factor:   2.447


  5 in total

Review 1.  Residual Dipolar Couplings in Structure Determination of Natural Products.

Authors:  Gao-Wei Li; Han Liu; Feng Qiu; Xiao-Juan Wang; Xin-Xiang Lei
Journal:  Nat Prod Bioprospect       Date:  2018-06-25

2.  Configuration determination by residual dipolar couplings: accessing the full conformational space by molecular dynamics with tensorial constraints.

Authors:  Pavleta Tzvetkova; Ulrich Sternberg; Thomas Gloge; Armando Navarro-Vázquez; Burkhard Luy
Journal:  Chem Sci       Date:  2019-07-29       Impact factor: 9.825

3.  Unequivocal determination of caulamidines A and B: application and validation of new tools in the structure elucidation tool box.

Authors:  Dennis J Milanowski; Naoya Oku; Laura K Cartner; Heidi R Bokesch; R Thomas Williamson; Josep Saurí; Yizhou Liu; Kirill A Blinov; Yuanqing Ding; Xing-Cong Li; Daneel Ferreira; Larry A Walker; Shabana Khan; Michael T Davies-Coleman; James A Kelley; James B McMahon; Gary E Martin; Kirk R Gustafson
Journal:  Chem Sci       Date:  2017-11-06       Impact factor: 9.825

4.  Determination of Configuration and Conformation of a Reserpine Derivative with Seven Stereogenic Centers Using Molecular Dynamics with RDC-Derived Tensorial Constraints*.

Authors:  Emine Sager; Pavleta Tzvetkova; Alvar D Gossert; Philippe Piechon; Burkhard Luy
Journal:  Chemistry       Date:  2020-10-01       Impact factor: 5.236

5.  NMR-Based Configurational Assignments of Natural Products: Gibbs Sampling and Bayesian Inference Using Floating Chirality Distance Geometry Calculations.

Authors:  Stefan Immel; Matthias Köck; Michael Reggelin
Journal:  Mar Drugs       Date:  2021-12-22       Impact factor: 5.118

  5 in total

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