Conformational dynamics of trialanine in water.2.Comparison of AMBER, CHARMM, GROMOS, and OPLS force fields to NMR and infrared experiments

Article Abstract:

Adopting trialanine as a paradigm of a small peptide, a comprehensive comparison of six popular force fields is presented, including the recent versions of AMBER, CHARMM, GROMOS, and OPLS models. For all force fields under consideration a 20ns long MD simulation is performed to study in detail the structure and conformational dynamics of the solvated peptide.

Aqueous solution reactions

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Hofmeister series: The hydrolytic activity of Aspergillus niger lipase on specific anion effects

Article Abstract:

The specific activity of lipase Aspergillus niger toward the hydrolysis of p-nitrophenyl acetate is shown to increase as a result of sodium salt addition according to specific ion effects of the Hofmeister series. This shows precisely that the Hofmeister effect is due to the different specific interactions between anions and the enzymatic surface.

All Other Basic Organic Chemical Manufacturing, Industrial organic chemicals, not elsewhere classified, Lipase (Fat Hydrolysis), Aspergillus, Lipase, Hydrolysis

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From monolayers to bilayers: Mesostructural evolution in DDAB/water/tetradecane microemulsions

Article Abstract:

Mesostructural features of the DDAB/W/tetradecane micro-emulsion are reinvestigated by NMR relaxation and SAXS measurements. SAXS and NMR data suggest a continuous transition between the bilayer and monolayer mesostructures, mediated by the formation and growth of punctures within the bilayers.

Myristic acid

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