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Novel trans-dichloridoplatinum(II) complexes with 3-and 4-acetylpyridine: Synthesis, characterization, DFT calculations and cytotoxicity
(Elsevier France-Editions Scientifiques Medicales Elsevier, Paris, 2009)
Novel complexes of platinum(II) with 3- (1) or 4-acetylpyridine (2) have been synthesized and characterized by elemental analyses, IR, H-1 and C-13 NMR spectroscopy. Single crystal X-ray diffraction revealed the trans ...
C-H center dot center dot center dot pi interactions in the metal-porphyrin complexes with chelate ring as the H acceptor
(Elsevier Science Inc, New York, 2004)
Specific C-H(...)pi interactions with the pi-system of porphyrinato chelate ring were found in crystal structures of transition metal complexes from the Cambridge Structural Database and statistical analysis of geometrical ...
Magnetic couplings mediated through the non-covalent interactions
(Pergamon-Elsevier Science Ltd, Oxford, 2012)
Density functional theory (DFT), broken symmetry (BS) approach, was applied in order to determine the mechanism of couplings through the non-covalent interactions for the series of coordination compounds bridged by strong ...
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 ...
Solvent and structural effects in tautomeric 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)-pyridones: experimental and quantum chemical study
(Springer/Plenum Publishers, New York, 2014)
The tautomeric equilibria between 2-pyridone and 2-hydroxypyridine forms of methoxy, chloro, and nitro derivatives of 3-cyano-4-(2-, 3-, and 4-substituted phenyl)-6-phenyl-2(1H)-pyridones were evaluated from UV/Vis spectral ...
Syntheses, characterization and antimicrobial activity of the first complexes of Zn(II), Cd(II) and Co(II) with N-benzyloxycarbonylglycine - X-ray crystal structure of the polymeric Cd(II) complex
(Elsevier Science Sa, Lausanne, 2008)
For the first time, complexes of Zn(II), Cd(II) and Co(II) (1-3) with N-benzyloxycarbonylglycine have been synthesized and characterized. The complexes adopt tetrahedral, pentagonal-bipyramidal and octahedral geometry, ...
The synthesis, spectroscopic, X-ray characterization and in vitro cytotoxic testing results of activity of five new trans-platinum(IV) complexes with functionalized pyridines
(Elsevier France-Editions Scientifiques Medicales Elsevier, Issy-Les-Moulineaux, 2012)
Platinum(IV) complexes with general formulas [Pt(L1-2)(2)Cl-4]. where L1-2 are 3-acetylpyridine (1) and 4-acetylpyridine (2) respectively, and [Pt(HL3-5)(2)Cl-2], where H2L3-5 are 2,3-pyridinedicarboxylic acid (3), ...
Gold(III) complexes with esters of cyclohexyl-functionalized ethylenediamine-N,N '-diacetate
(Elsevier Science Inc, New York, 2013)
Six novel gold(III) complexes containing O,O'-dialkyl-(S,S)-ethylenediamine-N,N'-di-2-(3-cyclohexyl)propanoate ([AuCl2{(S,S)-R(2)eddch}]PF6, R = Me, Et, n-Pr, n-Bu, i-Bu, i-Am; 1-6, respectively) were synthesized and ...
Solvent and structural effects in tautomeric 2(6)-hydroxy-4-methyl-6(2)-oxo-1-(substituted phenyl)-1,2(1,6)-dihydropyridine-3-carbonitriles: UV, NMR and quantum chemical study
(Pergamon-Elsevier Science Ltd, Oxford, 2015)
The state of the tautomeric equilibria of 2(6)-hydroxy-4-methyl-6(2)-oxo-1-(substituted phenyl)-1,2(1,6)-dihydropyridine-3-carbonitriles, 2-PY/6-PY, was evaluated using experimental and theoretical methodology. The ...
Computational study of protein secondary structure elements: Ramachandran plots revisited
(Elsevier Science Inc, New York, 2014)
Potential energy surface (PES) were built for nineteen amino acids using density functional theory (PW91 and DFT M062X/6-311**). Examining the energy as a function of the phi/psi dihedral angles in the allowed regions of ...