Synthesis and Characterization of Novel Ruthenium(III) Complexes with Histamine

Novel ruthenium(III) complexes with histamine [RuCl4(dmso-S)(histamineH)] · H2O (1a) and [RuCl4(dmso-S)(histamineH)] (1b) have been prepared and characterized by X-ray structure analysis. Their crystal structures are similar and show a protonated amino group on the side chain of the ligand which is not very common for a simple heterocyclic derivative such as histamine. Biological assays to test the cytotoxicity of the compound 1b combined with electroporation were performed to determine its potential for future medical applications in cancer treatment

Di-μ-chlorido-bis­{chlorido[(R)/(S)-1,5-di­phenyl-3-(2-pyridyl-κN)-2-pyrazoline-κN 2]zinc(II)}

In the centrosymmetric binuclear title compound, [Zn2Cl4(C20H17N3)2], the coordination geometry of the ZnII ion can be described as a distorted ZnN2Cl3 trigonal bipyramid (τ = 0.89), arising from the N,N′-bidentate ligand, a terminal chloride ion and two bridging chloride ions. The N atoms occupy one axial and one equatorial site and the terminal chloride ion occupies an equatorial site. The dihedral angle between the pyridine and pyrazole rings is 12.8 (2)°. In the crystal, aromatic π–π stacking [centroid–centroid separations = 3.812 (3) and 3.848 (3) Å] and C—H⋯Cl and C—H⋯π inter­actions help to establish the packing

Synthesis and Characterization of Two Novel Zinc(II) Complexes with Ciprofloxacin. Crystal Structure of [C17H19N3O3F]2 ⋅ [ZnCl4] ⋅ 2H2O

The complexation of ZnII ions with quinolone in aqueous solution depends mainly upon pH. To investigate the pH dependence of the complexation between ZnII and the quinolone derivative Ciprofloxacin (abbreviation cfH), UV-Vis spectroscopy was used. The crystal structure of the compound [C17H19N3O3F]2 ⋅ [ZnCl4] ⋅ 2H2O (compound I) was determined by X-ray diffraction, which showed the structure to be ionic, consisting of a tetrachlorozincate(II) dianion and two protonated, monocationic Ciprofloxacin molecules. Compound II ([Zn(cf)2] ⋅ 3H2O) was obtained as microcrystals from an aqueous solution of Ciprofloxacin hydrochloride and zine sulphate adjusted to pH = 8 by the addition of sodium hydroxide. Both complexes were characterized by elemental analysis, mass speetrometry, TG analysis and IR spectroscopy. From the analysis of these results we have proposed a probable mode of bonding for the complexation of ZnII to Ciprofloxacin in compound II

Characterization of ciprofloxacin binding to the linear single- and doublestranded DNA

Abstract The binding of ciprofloxacin to natural and synthetic polymeric DNAs was investigated at different solvent conditions using a combination of spectroscopic and hydrodynamic techniques. In 10 mM cacodylate buffer (pH 7.0) containing 108.6 mM Na + , no sequence preferences in the interaction of ciprofloxacin with DNA was detected, while in 2 mM cacodylate buffer (pH 7.0) containing only 1.7 mM Na + , a significant binding of ciprofloxacin to natural and synthetic linear double-stranded DNA was observed. At low ionic strength of solution, ciprofloxacin binding to DNA duplex containing alternating AT base pairs is accompanied by the largest enhancement in thermal stability (e.g

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?

In solid-state coordination chemistry, the coordination number of a metal center is not always unambiguously determined, as sometimes from the geometrical parameters it is not clear if ligands are directly bound to the central metal ion or they belong to the outer sphere of a complex. The nature of bonding between Cu(II) and weakly coordinated anions BF4–, NO3–, and ClO4– is investigated by the combined crystallographic and computational study. It is shown that the synergy between the crystal structure determination and computational chemistry allows identification of all interactions present in crystals. Three new complexes, [CuLCl]BF4 (1), [CuLCl]NO3 (2), and [Cu2L2Cl2](BF4)2 (3) with the same [CuLCl]+ moiety (L = (E)-N,N,N-trimethyl-2-oxo-2-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)ethan-1-amin), were synthesized and characterized by single crystal X-ray diffraction methods and compared to the previously reported [CuLCl]ClO4 (4). Energy decomposition analysis, noncovalent interaction index analysis, independent gradient model, and the quantum theory of atoms in molecules are performed on the X-ray structures of these four complexes. The results revealed that in 1, 2, and 4, BF4–, NO3–, and ClO4– are weakly, but directly coordinated to the Cu(II) with bonds having high electrostatic character. In 3, BF4– is the counter-anion, electrostatically bonded to the L. Furthermore, the present analysis rationalized the fact that only complex 3 is binuclear with bridging Cl– ions.This is the peer-reviewed, authors’ version of the article: Keškić, T., Čobeljić, B., Gruden, M., Anđelković, K., Pevec, A., Turel, I., Radanović, D.,& Zlatar, M. (2019). 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?. Crystal Growth & Design, American Chemical Society (ACS)., 19, 4810-4821. [https://doi.org/10.1021/acs.cgd.9b00760]This document is the Accepted Manuscript version of a Published Work that appeared in final form in Crystal Growth & Design, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see [https://doi.org/10.1021/acs.cgd.9b00760]The published version: [https://cer.ihtm.bg.ac.rs/handle/123456789/3051]Supporting information: [https://cer.ihtm.bg.ac.rs/handle/123456789/4460]Crystallographic data (CCDC 1917721): [https://cer.ihtm.bg.ac.rs/handle/123456789/4461]Crystallographic data (CCDC 1917722): [https://cer.ihtm.bg.ac.rs/handle/123456789/4462]Crystallographic data (CCDC 1917723): [https://cer.ihtm.bg.ac.rs/handle/123456789/4463

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?"

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.This is Supplementary information for: Keškić, T., Čobeljić, B., Gruden, M., Anđelković, K., Pevec, A., Turel, I., Radanović, D.,& Zlatar, M. (2019). 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?. Crystal Growth & Design, American Chemical Society (ACS)., 19, 4810-4821. [https://doi.org/10.1021/acs.cgd.9b00760]The published version of the article: [https://cer.ihtm.bg.ac.rs/handle/123456789/3051]The peer-reviewed version of the article: [https://cer.ihtm.bg.ac.rs/handle/123456789/3047]Crystallographic data (CCDC 1917721): [https://cer.ihtm.bg.ac.rs/handle/123456789/4461]Crystallographic data (CCDC 1917722): [https://cer.ihtm.bg.ac.rs/handle/123456789/4462]Crystallographic data (CCDC 1917723): [https://cer.ihtm.bg.ac.rs/handle/123456789/4463

A new class of platinum(II) complexes with the phosphine ligand pta which show potent anticancer activity

The anticancer potential of sixteen platinum(II) complexes with general formulae [PtCl(hq)(S-dmso)] (1a-8a) and [PtCl(hq)(pta)] (1b-8b) (where hq is 5-chloro-7-iodo-8-quinolinol (clioquinol; cqH) (1a, 1b), 8-hydroxy-5-nitroquinoline (nitroxoline; nxH) (2a, 2b), 5,7-dichloro-8-quinolinol (3a, 3b), 5,7-diiodo-8-quinolinol (4a, 4b), 5,7-dibromo-8-quinolinol (5a, 5b), 5,7-dichloro-8-hydroxy-2-methyl-quinoline (6a, 6b), 8-hydroxyquinoline (7a, 7b) and 8-quinolinethiol (8a, 8b); dmso is dimethyl sulfoxide and pta is 1,3,5triaza- 7-phosphaadamantane) was determined through in vitro cytotoxicity assay in human fibroblasts (MRC5) and two carcinoma cell lines (A375 and A549) and embryotoxicity assay in a zebrafish model. Interactions with double stranded DNA through in vitro assay and a molecular docking study were examined. All complexes, except 6a, exhibited a high cytotoxic effect on MRC5 cells at a concentration of 10 mu g mL(-1) while 1b, 5a, 6a and 3b showed selective toxicity towards carcinoma cell lines. In general, pta-based complexes (series b) were more toxic according to the results of a MTT screen and the LC50 values obtained in zebrafish (Danio rerio) assay; they also induced higher oxidative stress in this model. Successful cellular uptake of complexes was shown by the ICP-MS methodology. The binding propensity of the complex with DNA obtained in in silico studies can be correlated with those from the experimental investigation. Compounds with the highest binding potential, according to the interaction energy value, were 1b, 3b, 6b and 5b. From observations of the DNA interaction ability and of the in silico assessment, no apparent DNA fragmentation was observed either on DNA extracted from the treated cancer cell line or from the zebrafish embryos.Supplementary material: [http://cherry.chem.bg.ac.rs/handle/123456789/3144

Supplementary data for the article: Čobeljić, B.; Pevec, A.; Jagličić, Z.; Milenković, M. R.; Turel, I.; Radanović, D.; Milenković, M.; Anđelković, K. Synthesis, Characterization and Antimicrobial Activity of the Isothiocyanato Fe(III) Girard’s T Hydrazone Complex. Journal of the Serbian Chemical Society 2018, 83 (12), 1327–1337. https://doi.org/10.2298/JSC180828079C

Supplementary material for: [https://doi.org/10.2298/JSC180828079C]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/2810

Supplementary data for the article: Čobeljić, B.; Pevec, A.; Stepanović, S.; Milenković, M. R.; Turel, I.; Gruden, M.; Radanović, D.; Anđelković, K. Structural Diversity of Isothiocyanato Cd(II) and Zn(II) Girard’s T Hydrazone Complexes in Solution and Solid State: Effect of H-Bonding on Coordination Number and Supramolecular Assembly of Cd(II) Complex in Solid State. Structural Chemistry 2018, 29 (6), 1797–1806. https://doi.org/10.1007/s11224-018-1155-8

Supplementary material for: [https://doi.org/10.1007/s11224-018-1155-8]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/337