Diversity of the Hydrogen Bond Network and Its Impact on NMR Parameters of Amylose B Polymorph: A Study Using Molecular Dynamics and DFT Calculations Within Periodic Boundary Conditions-Reference-Cited by-同舟云学术

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Diversity of the Hydrogen Bond Network and Its Impact on NMR Parameters of Amylose B Polymorph: A Study Using Molecular Dynamics and DFT Calculations Within Periodic Boundary Conditions

Published:2020-12-24 Issue:1 Volume:125 Page:158-168
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Schahl Adrien¹²,Gerber Iann C.¹^ORCID,Réat Valérie²,Jolibois Franck¹^ORCID

Affiliation:

1. LPCNO, CNRS UMR 5215, Université de Toulouse-INSA-UPS, 135 av. Rangueil, F-31077 Toulouse, France

2. Institut de Pharmacologie et Biologie Structurale, UMR 5089, CNRS-Université de Toulouse-UPS BP 64182, 205 route de Narbonne, 31077 Toulouse, Cedex 04, France

Funder

Universit? de Toulouse

R?gion Occitanie Pyr?n?es-M?diterran?e

Centre National de la Recherche Scientifique

CALMIP

GENCI

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.0c08631

Reference64 articles.

1. Detailed refinement of the crystal structure of Vh-amylose

2. Crystal and molecular structure of the amylose-DMSO complex

3. Crystal Structure of B-Amylose

4. The structure of V amylose dehydrate: A combined X-ray and stereochemical approach

5. The Hydrophobic Topographies of Amylose and its Blue Iodine Complex

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1. Probing structural features in potato starch granules at moderate hydration through the modelling of 1H->13C polarization transfer kinetics;International Journal of Biological Macromolecules;2024-06

2. Evidence for amylose inclusion complexes with multiple acyl chain lipids using solid-state NMR and theoretical approaches;Carbohydrate Polymers;2022-01

3. Structure determination of an amorphous drug through large-scale NMR predictions;Nature Communications;2021-05-20

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