Nanometer-scale ion aggregates in aqueous electrolyte solutions: Guanidinium sulfate and guanidinium thiocyanate

Article Abstract:

Neutron diffraction experiments and molecular dynamics simulations are used to study the structure of aqueous solutions of two electrolytes, guanidinium sulfate (a mild protein conformation stabilizer) and guanidinium thiocyanate (a powerful denaturant). A mechanism is proposed as to how this mesoscopic solution structure affects solution denaturant properties and suggests a solution in terms of this ion pairing and the ability of sulfate to reverse the denaturant power of guanidinium.

All Other Basic Organic Chemical Manufacturing, Industrial Organic Chemicals, Guanidine, Electrolytes, Sulfates, Thiocyanates, Guanidines

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Nanometer-scale ion aggregates in aqueous electrolyte solutions: Guanidinium carbonate

Article Abstract:

Neutron diffraction with isotopic substitution (NDIS) experiments and molecular dynamics (MD) simulations are applied to characterize the structure of aqueous guanidinium carbonate solutions. The presence of clustering on the nanometer length scale is confirmed by using small-angle neutron scattering experiments, which suggests a molecular-level explanation for the contrasting denaturant properties of guanidinium salts in solution.

CHEMICALS AND ALLIED PRODUCTS, Other Basic Organic Chemical Manufacturing, Carbonates, Electrolyte solutions

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Tetrahedrality and the relationship between collective structure and radial distribution functions in liquid water

Article Abstract:

The oxygen-oxygen radial distribution function is analyzed for their capacity to capture variations in the actual anisotropic collective structuring for empirical water models. The deformation of angles between the two closet hydrogen bond donors is the main cause of variation from tetrahedrality of these systems.

Science & research, Research, Water, Distribution (Probability theory), Atomic properties, Report

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