Literature DB >> 15783229

Chemical shift correlations in disordered solids.

Sylvian Cadars1, Anne Lesage, Lyndon Emsley.   

Abstract

We show how two-dimensional chemical shift conditional probability distributions can be extracted from experimental NMR correlation spectra of disordered solids. We show that transverse dephasing times are of central importance in determining the resolution (and sensitivity) of these probability distributions. These conditional probability distributions provide a new source of structural information characteristic of disordered solids, which is much more sensitive to structure than the individual-atom chemical shift distributions. The structural information contained in these distributions is clearly a potentially extremely rich source for understanding disorder. This is illustrated with examples of a phosphorus-containing organic compound and with a sample of disordered cellulose where the different structural allomorphs present are identified from the distributions.

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Year:  2005        PMID: 15783229     DOI: 10.1021/ja043698f

Source DB:  PubMed          Journal:  J Am Chem Soc        ISSN: 0002-7863            Impact factor:   15.419


  11 in total

1.  Spectral fitting for signal assignment and structural analysis of uniformly 13C-labeled solid proteins by simulated annealing based on chemical shifts and spin dynamics.

Authors:  Yoh Matsuki; Hideo Akutsu; Toshimichi Fujiwara
Journal:  J Biomol NMR       Date:  2007-07-06       Impact factor: 2.835

2.  Conformational disorder of membrane peptides investigated from solid-state NMR line widths and line shapes.

Authors:  Yongchao Su; Mei Hong
Journal:  J Phys Chem B       Date:  2011-08-18       Impact factor: 2.991

Review 3.  Solid-State NMR Investigations of Extracellular Matrixes and Cell Walls of Algae, Bacteria, Fungi, and Plants.

Authors:  Nader Ghassemi; Alexandre Poulhazan; Fabien Deligey; Frederic Mentink-Vigier; Isabelle Marcotte; Tuo Wang
Journal:  Chem Rev       Date:  2021-12-08       Impact factor: 72.087

4.  Cellulose Structural Polymorphism in Plant Primary Cell Walls Investigated by High-Field 2D Solid-State NMR Spectroscopy and Density Functional Theory Calculations.

Authors:  Tuo Wang; Hui Yang; James D Kubicki; Mei Hong
Journal:  Biomacromolecules       Date:  2016-05-26       Impact factor: 6.988

5.  Deciphering the NMR fingerprints of the disordered system with quantum chemical studies.

Authors:  Yan Ling; Yong Zhang
Journal:  J Phys Chem A       Date:  2009-05-21       Impact factor: 2.781

6.  Efficient 15N-13C Polarization Transfer by Third-Spin-Assisted Pulsed Cross-Polarization Magic-Angle-Spinning NMR for Protein Structure Determination.

Authors:  Martin D Gelenter; Mei Hong
Journal:  J Phys Chem B       Date:  2018-08-28       Impact factor: 2.991

7.  Multidimensional High-Resolution Magic Angle Spinning and Solution-State NMR Characterization of (13)C-labeled Plant Metabolites and Lignocellulose.

Authors:  Tetsuya Mori; Yuuri Tsuboi; Nobuhiro Ishida; Nobuyuki Nishikubo; Taku Demura; Jun Kikuchi
Journal:  Sci Rep       Date:  2015-07-06       Impact factor: 4.379

8.  Structural Characterization of Electron Donors in Ziegler-Natta Catalysts.

Authors:  E S Merijn Blaakmeer; Giuseppe Antinucci; Andrea Correa; Vincenzo Busico; Ernst R H van Eck; Arno P M Kentgens
Journal:  J Phys Chem C Nanomater Interfaces       Date:  2018-02-21       Impact factor: 4.126

9.  Understanding silicate hydration from quantitative analyses of hydrating tricalcium silicates.

Authors:  Elizaveta Pustovgar; Rahul P Sangodkar; Andrey S Andreev; Marta Palacios; Bradley F Chmelka; Robert J Flatt; Jean-Baptiste d'Espinose de Lacaillerie
Journal:  Nat Commun       Date:  2016-03-24       Impact factor: 14.919

Review 10.  A Practical Review of NMR Lineshapes for Spin-1/2 and Quadrupolar Nuclei in Disordered Materials.

Authors:  Kuizhi Chen
Journal:  Int J Mol Sci       Date:  2020-08-07       Impact factor: 5.923

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