X-ray and molecular dynamics studies of butylammonium butanoate–water binary mixtures

2017 ◽  
Vol 19 (3) ◽  
pp. 1975-1981 ◽  
Author(s):  
Umme Salma ◽  
Marianna Usula ◽  
Ruggero Caminiti ◽  
Lorenzo Gontrani ◽  
Natalia V. Plechkova ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Binary Mixtures ◽  
Md Simulations ◽  
Wide Angle ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

The nanostructural organisation of mixtures of the ionic liquid (butylammonium butanoate) and water at several mole fractions of water has been investigated using small and wide angle X-ray scattering (S-WAXS) and molecular dynamics (MD) simulations.

Structure of an ionic liquid, 1-n-butyl-3-methylimidazolium iodide, studied by wide-angle X-ray scattering and Raman spectroscopy

2004 ◽  
Vol 392 (4-6) ◽  
pp. 460-464 ◽  
Author(s):  
Hideki Katayanagi ◽  
Satoshi Hayashi ◽  
Hiro-o Hamaguchi ◽  
Keiko Nishikawa
Keyword(s):  
Raman Spectroscopy ◽  
Ionic Liquid ◽  
Wide Angle ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

Choline salicylate ionic liquid by X-ray scattering, vibrational spectroscopy and molecular dynamics

2016 ◽  
Vol 218 ◽  
pp. 39-49 ◽  
Author(s):  
Luana Tanzi ◽  
Michele Nardone ◽  
Paola Benassi ◽  
Fabio Ramondo ◽  
Ruggero Caminiti ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Vibrational Spectroscopy ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

scholarly journals Understanding nucleic acid structural changes by comparing wide-angle x-ray scattering (WAXS) experiments to molecular dynamics simulations

2016 ◽  
Vol 144 (20) ◽  
pp. 205102 ◽  
Author(s):  
Suzette A. Pabit ◽  
Andrea M. Katz ◽  
Igor S. Tolokh ◽  
Aleksander Drozdetski ◽  
Nathan Baker ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Nucleic Acid ◽  
Molecular Dynamics Simulations ◽  
Structural Changes ◽  
Wide Angle ◽  
X Ray ◽  
X Ray Scattering ◽  
Dynamics Simulations ◽  
Ray Scattering

Ras Structure, Dynamics and Conformational States Assessed by MD Simulations and Solution Wide angle X‐ray Scattering

2020 ◽  
Vol 34 (S1) ◽  
pp. 1-1
Author(s):  
Alicia Yvette Volmar ◽  
Hugo Guterres ◽  
Hao Zhou ◽  
Carla Mattos ◽  
Lee Makowski
Keyword(s):  
Md Simulations ◽  
Wide Angle ◽  
Conformational States ◽  
X Ray ◽  
Structure Dynamics ◽  
X Ray Scattering ◽  
Ray Scattering

Investigation of the Structure of Concentrated NaOH Aqueous Solutions by Combining Molecular Dynamics and Wide-Angle X-ray Scattering

2019 ◽  
Vol 123 (24) ◽  
pp. 5121-5130 ◽  
Author(s):  
Amaury Coste ◽  
Arnaud Poulesquen ◽  
Olivier Diat ◽  
Jean-François Dufrêche ◽  
Magali Duvail
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solutions ◽  
Wide Angle ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

scholarly journals Wide-angle X-ray scattering and molecular dynamics simulations of supercooled protein hydration water

2021 ◽  
Author(s):  
Maddalena Bin ◽  
Rafat Yousif ◽  
Sharon Berkowicz ◽  
Sudipta Das ◽  
Daniel Schlesinger ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Low Temperature ◽  
Molecular Dynamics Simulations ◽  
Protein Hydration ◽  
Hydration Water ◽  
Wide Angle ◽  
X Ray ◽  
X Ray Scattering ◽  
Dynamics Simulations ◽  
Ray Scattering

Understanding the mechanism responsible for the protein low-temperature crossover observed at T≈220K can help us improve current cryopreservation technologies. This crossover is associated with changes in the dynamics of the...

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