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Structural modifications of 4-aryl-4-oxo-2-aminylbutanamides and their acetyl- and butyrylcholinesterase inhibitory activity. Investigation of AChE-ligand interactions by docking calculations and molecular dynamics simulations
(Elsevier France-Editions Scientifiques Medicales Elsevier, Paris, 2014)
Congeneric set of thirty-eight 4-aryl-4-oxo-2-(N-aryl/cycloalkyl)butanamides has been designed, synthesized and evaluated for acetyl- and butyrylcholinesterase inhibitory activity. Structural variations included cycloalkylamino ...
Plasmonic sensors in multi-analyte environment: Rate constants and transient analysis
(Inst Chemical Engineers, Rugby, 2014)
This paper investigates multicomponent gas adsorption at the active surface of plasmonic chemical sensors and shows that there are situations where transients in a single sensor element can be used for simultaneous detection ...
Theoretical study of the magnetic anisotropy and magnetic tunnelling in mononuclear Ni(II) complexes with potential molecular magnet behavior
(Royal Soc Chemistry, Cambridge, 2014)
Magnetic molecules that present a slow decay of their magnetization (molecular magnets) are very interesting both from a fundamental and applied points of view. While many approaches focus strongly on finding systems with ...
Fluctuations of the number of adsorbed molecules due to adsorption–desorption processes coupled with mass transfer and surface diffusion in bio/chemical MEMS sensors
(Elsevier, 2014)
In this study we have developed, for the first time, the comprehensive theoretical model of the fluctuations of the number of adsorbed molecules in MEMS chemical and biological sensors, taking into account the processes ...
Chemical modification of chloroperoxidase for enhanced stability and activity
(Elsevier Sci Ltd, Oxford, 2014)
Chloroperoxidase from Caldariomyces fumago (CPO, EC 1.11.1.10) is one of the most interesting enzymes from the group of heme peroxidases and has been extensively applied in synthetic processes. Nevertheless, the practical ...