Претраживање
Приказ резултата 1-10 од 34
Mechanistic investigation and DFT calculation of the new reaction between S-methylisothiosemicarbazide and methyl acetoacetate
(Springer/Plenum Publishers, New York, 2013)
A study on the synthesis and mechanistical aspects of formation of 3-methyl-5-oxo-3-pyrazolin-1-carboxamide (MOPC) starting from S-methylisothiosemicarbazide hydrogen iodide and methyl acetoacetate was performed. In the ...
A simulation of free radicals induced oxidation of dopamine in aqueous solution
(Elsevier, 2019)
Understanding the basic chemistry between highly reactive free radicals and dopamine is an important step in characterizing the antioxidative activity of catecholamine neurotransmitters. In this work, we simulated the ...
Structural aspects of 4-aminoquinolines as reversible inhibitors of human acetylcholinesterase and butyrylcholinesterase
(Elsevier Ireland Ltd, 2019)
Eight derivatives of 4-aminoquinolines differing in the substituents attached to the C(4)-amino group and C(7)were synthesised and tested as inhibitors of human acetylcholinesterase (AChE)and butyrylcholinesterase (BChE). ...
Palladium(II) complexes with R-2 edda-derived ligands
(Taylor & Francis Ltd, Abingdon, 2016)
Four palladium(II) complexes with R-2 edda ligands, dichlorido(O,O-dialkylethylenediamine-N,N'-diacetate)palladium(II) monohydrates, [PdCl2(R(2)edda)].H2O, R=Me, Et, n-Pr, i-Bu, and the new ligand precursor i-Bu(2)edda.2HCl.H2O, ...
Synthesis, characterization, antimicrobial activity and DFT study of some novel Schiff bases
(Elsevier, 2021)
Two new Schiff bases derived from L-cysteine and substituted benzaldehyde were synthesized: the compound 1 [2-((2-chlorobenzylidene) amino)-3-mercaptopropanoic acid] and the compound 2 [3-mercapto-2-((2-methoxybenzylidene) ...
Absorption and fluorescence spectral properties of azo dyes based on 3-amido-6-hydroxy-4-methyl-2-pyridone: Solvent and substituent effects
(Elsevier, 2020)
A series of nine 5-(4-substituted phenylazo)-3-amido-6-hydroxy-4-methyl-2-pyridones were synthesized and characterized by FT–IR, 1H and 13C NMR, UV–Vis, and PL spectroscopy. Photophysical properties of the dyes were examined ...
Magnetic criteria of aromaticity in a benzene cation and anion: how does the Jahn-Teller effect influence the aromaticity?
(Oxford : Pergamon-Elsevier Science Ltd, 2012)
The aromatic/antiaromatic behavior of the Jahn-Teller UT) active benzene cation and anion has been investigated using Density Functional Theory (DFT) calculations of Nuclear Independent Chemical Shifts (NICS) and magnetic ...
Modulating Excited Charge-Transfer States of G‑Quartet Self- Assemblies by Earth Alkaline Cations and Hydration
(American Chemical Society (ACS), 2020)
Guanine self-assemblies are promising supramolecular
platforms for optoelectronic applications. The study (Hua et al., J. Phys. Chem. C 2012, 116, 14,682−14,689) reported that alkaline cations cannot modulate the electronic ...
Influence of C–H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-carbonitrile: Crystallographic, Thermal, and DFT Study
(American Chemical Society (ACS), 2020)
Pt(II) and Pd(II) complexes (1 and 2, respectively) with thiomorpholine-4-carbonitrile (TM-CN), an N-substituted thiomorpholine derivative, were synthesized from tetrachlorido precursors in water. Structural analysis has ...
In vitro anticancer activity of gold(III) complexes with some esters of (S,S)-ethylenediamine-N,N '-di-2-propanoic acid
(Elsevier France-Editions Scientifiques Medicales Elsevier, Issy-Les-Moulineaux, 2015)
Five novel gold(III) complexes of general formulas [AuCl2{(S,S)-R(2)eddip}]PF6, ((S,S)-eddip = (S,S)-ethylenediamine-N,N'-di-2-propanoate, R = n-Bu, n-Pe, i-Bu, i-Am, cPe; 1-5, respectively) were synthesized and characterized ...