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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 ...
Supporting information for: "What Is the Nature of Interactions of BF4–, NO3–, and ClO4– to Cu(II) Complexes with Girard’s T Hydrazine? When Can Binuclear Complexes Be Formed?"
(American Chemical Society (ACS), 2019)
Supporting information for X-ray crystallography; Additional experimental details for the synthesis of 1 and 3; Additional computational results for mononuclear structures; Additional computational results for dimer structures.
Debromination of endo-(+)-3-Bromocamphor with Primary Amines
(Soc Brasileira Quimica, Sao Paulo, 2013)
Reductive debromination of endo-(+)-3-bromocamphor with different primary amines followed by imine formation was investigated. This reaction requires simple experimental procedure without any organic solvent, metal or ...
Synthesis, Characterization, and Cytotoxicity of a Novel Gold(III) Complex with O,O-Diethyl Ester of Ethylenediamine-N,N-Di-2-(4-Methyl)Pentanoic Acid
(MDPI, 2016)
A novel gold(III) complex, [AuCl2{(S,S)-Et(2)eddl}]PF6, ((S,S)-Et(2)eddl = O,O-diethyl ester of ethylenediamine-N,N-di-2-(4-methyl)pentanoic acid) was synthesized and characterized by IR, 1D (H-1 and C-13), and 2D (H,H-COSY ...
CCDC 1917722: Experimental Crystal Structure Determination. Crystalographic data for "What Is the Nature of Interactions of BF4–, NO3–, and ClO4– to Cu(II) Complexes with Girard’s T Hydrazine? When Can Binuclear Complexes Be Formed?"
(The Cambridge Crystallographic Data Centre (CCDC), 2019)
HOSCOK : (N-[1-(pyridin-2-yl)ethylidene]-2-(trimethylazaniumyl)ethanehydrazonate)-nitrato-chloro-copper(ii) Space Group: P 21/c (14), Cell: a 10.1820(6)Å b 8.6362(6)Å c 18.7170(11)Å, α 90° β 95.178(5)° γ 90°
Antioxidant properties of selected 4-phenyl hydroxycoumarins: Integrated in vitro and computational studies
(Elsevier Ireland Ltd, Clare, 2014)
A study on the structure-activity relationship of three hydroxy 4-phenyl coumarins, carried out by employing a series of different chemical cell-free tests is presented. Different assays involving one redox reaction with ...
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 ...
Density functional theory calculation of lipophilicity for organophosphate type pesticides
(Belgrade: Serbian Chemical Society, 2017)
Density functional method with continuum solvation model is used for the calculation of the partition coefficient log KOW and the determination of lipophilicity of 22 most frequently used organophosphate type pesticides. ...
Exploring anatomy of experiment with DFT: Quantitative structure-activity relationship of Substituted arylazo pyridine dyes in Photocatalytic reaction
(University of Pardubice, 2019)
A series of arylazo pyridone dyes was synthesized by changing the type of the substituent
group in the diazo moiety, ranging from strong electron-donating to strong electronwithdrawing
groups. The structural and electronic ...
Effects of Ag+ ion doping on UV radiation absorption and luminescence profiles of fluorapatite nanomaterials obtained by neutralization method
(Polish Academy of Sciences, 2019)
In the present study we have analyzed effects of Ag+ ions doping on energetic profiles of nanophosphors materials based on fluorapatite crystal system. The UV radiation absorption and luminescence properties of monophase ...