Chemical biology & drug design, 71(4), 352-362 (2008-03-04)
The aim of this study is to provide an initial indication regarding the scope and limitations of some state-of-the-art methods in computational chemistry, including semiempirical (AM1) and density functional theory (B3LYP), in the flip regression procedure applied to the inhibition
Chemical communications (Cambridge, England), 46(30), 5569-5571 (2010-05-13)
Enantiopure chiral amines synthesis using omega-transaminases is hindered by an unfavourable equilibrium, but when using isopropylamine as the amine donor the equilibrium can be completely displaced by using a specific dehydrogenase in situ for removal of formed acetone.
Journal of hazardous materials, 124(1-3), 119-124 (2005-06-09)
Supercritical water oxidation can effectively destroy a large variety of high-risk wastes resulting from munitions demilitarization and complex industrial chemical. An important design consideration in the development of supercritical water oxidation is the information on the oxidation rate. In this
Journal of chromatography. A, 1234, 72-79 (2011-12-07)
In chiral supercritical fluid chromatography (SFC), mobile-phase additives are often used to improve enantioseparations and peak shapes. An acidic or basic additive is chosen, depending on the nature of the compound. This work highlights the simultaneous use of the acidic
The in vitro monoamine oxidase inhibitory (MAOI) activities of 11 heteroarylisopropylamines vis-à-vis MAO-A and MAO-B were described and interpreted in terms of possible interactions with the enzyme active site. Molecular dynamics simulations allowed a comparison between the most active MAO-A
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