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 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

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...

scholarly journals Effect of Crowding Agent Polyethylene Glycol on Lyotropic Chromonic Liquid Crystal Phases of Disodium Cromoglycate

Crystals ◽  
2019 ◽  
Vol 9 (3) ◽  
pp. 160 ◽  
Author(s):  
Runa Koizumi ◽  
Bing-Xiang Li ◽  
Oleg Lavrentovich
Keyword(s):  
Polyethylene Glycol ◽  
Aqueous Solutions ◽  
Isotropic Phase ◽  
Disodium Cromoglycate ◽  
Wide Angle ◽  
X Ray ◽  
X Ray Scattering ◽  
Lateral Distance ◽  
Crystal Phases ◽  
Ray Scattering

Adding crowding agents such as polyethylene glycol (PEG) to lyotropic chromonic liquid crystals (LCLCs) formed by water dispersions of materials such as disodium cromoglicate (DSCG) leads to a phase separation of the isotropic phase and the ordered phase. This behavior resembles nanoscale condensation of DNAs but occurs at the microscale. The structure of condensed chromonic regions in crowded dispersions is not yet fully understood, in particular, it is not clear whether the condensed domains are in the nematic (N) or the columnar (C) state. In this study, we report on small angle X-ray scattering (SAXS) and wide-angle X-ray scattering (WAXS) measurements of mixtures of aqueous solutions of DSCG with PEG and compare results to measurements of aqueous solutions of pure DSCG. X-ray measurements demonstrate that addition of PEG to DSCG in the N phase triggers appearance of the C phase that coexists with the isotropic (I) phase. Within the coexisting region, the lateral distance between the columns of the chromonic aggregates decreases as the temperature is increased.

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