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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 ...
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 ...
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 ...
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 ...
Design and photocatalytic ability of ordered mesoporous TiO2 thin films
(Oxford : Pergamon-Elsevier Science Ltd, 2014)
Homogeneous and crack-free TiO2 films with templated mesoporosity were prepared by the dip coating technique using an evaporation-induced, self-assembly method. The synthesized mesoporous TiO2 films were characterized using ...
Correlation study of retention data and antimalarial activity of 1,2,4,5-mixed tetraoxanes with their molecular structure descriptors and LSER parameters
(Elsevier, 2014)
The chromatographic behavior of mixed 1,2,4,5-tetraoxanes, cholic and deoxycholic acid derivatives with distinct biological activity, was examined by high-performance thin-layer chromatography in order to correlate their ...
Quantum mechanical and spectroscopic (FT-IR, C-13, H-1 NMR and UV) investigations of potent antiepileptic drug 1-(4-chloro-phenyl)-3-phenyl-succinimide
(Oxford : Pergamon-Elsevier Science Ltd, 2014)
This study represents an integrated approach towards understanding the vibrational, electronic, NMR, and structural aspects, and reactivity of 1-(4-chloro-phenyl)-3-phenyl-succinimide (CPPS). A detailed interpretation of ...
Catalytic activities of Pt thin films electrodeposited onto Bi coated glassy carbon substrate toward formic acid electrooxidation
(Elsevier, 2014)
Formic acid oxidation was studied on platinum-coated bismuth deposits on glassy carbon substrate. The catalyst was prepared by a two-step process using chronocoulometry, i.e. controlled amount of Bi was electrodeposited ...
Nonlinear frequency response analysis of forced periodic operation of non-isothermal CSTR using single input modulations. Part I: Modulation of inlet concentration or flow-rate
(Oxford : Pergamon-Elsevier Science Ltd, 2014)
Periodic operations of a non isothermal CSTR with n-Lh order reaction, subject to a single input modulation, is analysed using the nonlinear frequency response (NFR) method, introduced in our previous publications. The ...
Electrooxidation of p-nitrophenol using a composite organo-smectite clay glassy carbon electrode
(Elsevier, 2014)
Bentonite clay rich in smectite clay mineral from seldom investigated locality Mecji Do (MD) in Serbia was modified. The organomodification was performed with different loadings of benzyltrimethylammonium (BTMA) cation. ...