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Modeling the hydrogen sulfide binding to heme
(Elsevier Science Inc, New York, 2018)
The binding of hydrogen sulfide to a model heme compound is investigated by coupled-cluster singles-doubles augmented by a perturbative triple excitations, CCSD(T), and density functional theory, DFT. The minimum energy ...
In vitro and in silico study of the biological activity of tetradentate Schiff base copper(II) complexes with ethylenediamine-bridge
(Elsevier, 2023)
The biological activity of six structurally similar tetradentate Schiff base copper(II) complexes, namely [Cu(ethylenediamine-bis-acetylacetonate)] (CuAA) and five derivatives where two methyl groups are replaced by phenyl, ...
CH/pi interactions in metal-porphyrin complexes with pyrrole and chelate rings as hydrogen acceptors
(Elsevier Science Inc, New York, 2012)
CH/pi interactions in metal porphyrinato complexes were studied by analyzing data in crystal structures from the Cambridge Structural Database (CSD) and by quantum chemical calculations. The analysis of the data in the CSD ...
Synthesis, characterization and crystal structures of two pentagonal-bipyramidal Fe(III) complexes with dihydrazone of 2,6-diacetylpyridine and Girard's T reagent. Anticancer properties of various metal complexes of the same ligand
(Elsevier Science Inc, New York, 2017)
In this work synthesis, characterization and crystal structures of two isothiocyanato Fe(III) complexes with 2,2'[2,6-pyridinediylbis(ethylidyne-1-hydraziny1-2-ylidene)]bis[N,N,N-trimethyl-2-oxoethanaminium] dichloride ...
Conformational analysis of octa- and tetrabromo tetraphenylporphyrins and their Ni(II) and Tb(III) complexes
(Elsevier Science Inc, New York, 2004)
Molecular mechanics (MM) calculations were used to analyze the puckering of metalloporphyrins as a function of metal ion size and the position of substituents on the porphyrin periphery, on a three series of octa- and ...
Cytotoxic studies of substituted titanocene and ansa-titanocene anticancer drugs
(Elsevier, 2008)
A variety of substituted titanocene and ansa-titanocene complexes have been synthesized and characterized using traditional methods.
The cytotoxic activity of the different titanocene complexes was tested against tumour ...
Study of the cytotoxic activity of di and triphenyltin(IV) carboxylate complexes
(Elsevier, 2008)
The reaction of 3-methoxyphenylacetic acid (3-MPAH), 4-methoxyphenylacetic acid (4-MPAH), 2,5-
dimethyl-3-furoic acid (DMFUH) or 1,4-benzodioxane-6-carboxylic acid (BZDOH) with triphenyltin(IV)
chloride (1:1) or ...
Synthesis and in vitro antitumoral activity of novel O,O′-di-2-alkyl-(S,S)-ethylenediamine-N,N′-di-2-propanoate ligands and corresponding platinum(II/IV) complexes
(Elsevier, 2008)
Syntheses of two novel ligand precursors O,O′-diisopropyl- (1a) and O,O′-diisobutyl-(S,S)-ethylenediamine-N,N′-di-2-propanoate dihydrochloride monohydrate (1b) and the corresponding dichloroplatinum(II) (2a and 2b) and ...
Aminoalcoholate-driven tetracopper(II) cores as dual acetyl and butyrylcholinesterase inhibitors: Experimental and theoretical elucidation of mechanism of action
(Elsevier, 2020)
Three coordination compounds featuring different types of tetracopper(II) cores, namely
[O⊂Cu4{N(CH2CH2O)3}4(BOH)4][BF4]2 (1), [Cu4(μ4-H2edte)(μ5-H2edte)(sal)2]n·7nH2O, (H4edte=N,N,N′,
N′-tetrakis(2-hydroxyethyl)ethylenediamine, ...
Copper(II) complexes with 4-(diethylamino)salicylaldehyde and α-diimines: Anticancer, antioxidant, antigenotoxic effects and interaction with DNA and albumins
(Elsevier, 2022)
In this article, cytotoxicity, the mechanisms of cytotoxic activity, genotoxicity, and interaction with DNA and proteins, of two Cu(II) complexes with a salicylaldehyde derivative (4-(diethylamino)salicylaldehyde) and ...