Literature DB >> 30933840

Chemically cross-linked polyacrylonitrile. A DMSO compatible NMR alignment medium for measurement of residual dipolar couplings and residual chemical shift anisotropies.

Daiane S Carvalho1, Danilo G B da Silva1, Fernando Hallwass1, Armando Navarro-Vázquez2.   

Abstract

Chemically cross-linked polyacrylontrile polymer gels, have been prepared as an alignment medium compatible with DMSO-d6. These gels allow measurement of residual dipolar couplings (RDCs) and residual chemical shift anisotropies (RCSAs) with good accuracy as tested with brucine and α-santonin natural compounds. The gels can be reversibly compressed allowing easy measurement of RCSAs. They also present good physical homogeneity, clean HSQC spectra with little background 1H signals, and allow unambiguous referencing of 13C spectra for RCSA extraction.
Copyright © 2019 Elsevier Inc. All rights reserved.

Entities:  

Keywords:  Alignment media; Natural products; RCSAs; RDCs; Stereochemistry; Structural elucidation

Year:  2019        PMID: 30933840     DOI: 10.1016/j.jmr.2019.03.005

Source DB:  PubMed          Journal:  J Magn Reson        ISSN: 1090-7807            Impact factor:   2.229


  3 in total

1.  The Advanced Floating Chirality Distance Geometry Approach-How Anisotropic NMR Parameters Can Support the Determination of the Relative Configuration of Natural Products.

Authors:  Matthias Köck; Michael Reggelin; Stefan Immel
Journal:  Mar Drugs       Date:  2020-06-24       Impact factor: 5.118

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.  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

  3 in total

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