Supplementary data for the article: Stojković, D. L. J.; Bacchi, A.; Capucci, D.; Milenković, M. R.; Čobeljić, B.; Trifunović, S. R.; Andelković, K.; Jevtić, V. V.; Vuković, N.; Vukić, M.; et al. Synthesis and Characterization of Palladium(II) Complexes with Glycine Coumarin Derivatives. Journal of the Serbian Chemical Society 2016, 81 (12), 1383–1392. https://doi.org/10.2298/JSC160915087S

Supplementary material for: [https://doi.org/10.2298/JSC160915087S]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/2392

Cytotoxicity of Platinum(Iv) and Palladium(Ii) Complexes with Meso-1,2-Diphenyl-Ethylenediamine-N,N -Di-3-Propanoic Acid. Crystal Structure of [Pd(1,2-Dpheddp)] Complex

The syntheses of tetradentate ligand, meso-1,2-diphenyl-ethylenediamine-N,N-di-3-propanoic acid (H-2-1,2-dpheddp) and corresponding platinum(IV) and palladium(II) complexes are reported here. The spectroscopically predicted structure of the obtained palladium(II) complex was confirmed by X-ray analysis. Singe crystals suitable for X-ray measurements were obtained by slow crystallization from a DMSO-water mixture. Cytotoxic effects of platinum(IV), palladium(II) complexes and cisplatin on the 4T1 and Bl6F1 cell lines were determined using the MTT colorimetric technique. The complexes showed a dose dependence on cytotoxic effect toward both cell lines. Both complexes were less active than cisplatin, the exception was concentrations above 62.5 mu M of platinum(IV) complex in the B16F1 cell line

Supplementary data for the article: Stojković, D. L. J.; Bacchi, A.; Capucci, D.; Milenković, M. R.; Čobeljić, B.; Trifunović, S. R.; Andelković, K.; Jevtić, V. V.; Vuković, N.; Vukić, M.; et al. Synthesis and Characterization of Palladium(II) Complexes with Glycine Coumarin Derivatives. Journal of the Serbian Chemical Society 2016, 81 (12), 1383–1392. https://doi.org/10.2298/JSC160915087S

Supplementary material for: [https://doi.org/10.2298/JSC160915087S]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/2392

Synthesis and characterization of palladium(II) complexes with glycine coumarin derivatives

A Pd(II) complex with methyl 2-([1-{2,4-dioxochroman-3-ylidene}ethyl]amino)acetate was synthesized. The structures of both the ligand and its Pd(II) complex were determined by elemental analysis, and IR and NMR spectroscopy. Recrystallization of the Pd(II) complex from DMF/water solution resulted in its hydrolysis and the formation of the dimethylamine (2-[{1-(2,4-dioxochroman-3-ylidene) ethyl} amino] acetato) palladium(II) complex, the structure of which was determined by elemental analysis, IR, H-1- and C-13-NMR spectroscopy and X-ray analysis.Supplementary material: [http://cherry.chem.bg.ac.rs/handle/123456789/3626

Nickel(II) in chelate N2O2 environment. DFT approach and in-depth molecular orbital and configurational analysis

<p>The O-N-N-O-type tetradentate ligands H2S,S-eddp (H2S,S-eddp stands for S,S-ethylenediamine-N,N'-di-2-propionic acid) and H(2)edap (H(2)edap stands for ethylenediamine-N-acetic-N'-3-propionic acid) and the corresponding novel octahedral nickel(II) complexes have been prepared and characterized. N2O2 ligands coordinate to the nickel(II) ion via four donor atoms (two deprotonated carboxylate atoms and two amine nitrogens) affording octahedral geometry in the case of all investigated Ni(II) complexes. A six coordinate, octahedral geometry has been verified crystallographically for the s-cis-[Ni(S,S-eddp)(H2O)(2)] complex. Structural data correlating similarly chelated Ni(II) complexes have been used to carry out an extensive configuration analysis. Molecular mechanics and Density Functional Theory (DFT) have been used to model the most stable geometric isomer, yielding, at the same time, significant structural and spectroscopic (TDDFT) data. The results from density functional studies have been compared to X-ray data. Natural Bond Orbital (NBO) and Natural Energetic Decomposition Analysis (NEDA) have been done for the [Ni(edda-type)(H2O)(2-n)] and nH(2)O fragments. Molecular orbital analysis (MPA) is given as well. The infra-red and electronic absorption spectra of the complexes are discussed in comparison to the related complexes of known geometries.</p>

Synthesis and Characterization of Platinum (IV) complexes with S-alkyl Derivatives of Thiosalicylic Acid and the Crystal Structure of the S-butyl Derivative of Thiosalicylic Acid

New platinum(IV)-complexes with S-alkyl derivatives of thiosalicylic acid (alkyl = benzyl-(L1), methyl-(L2), ethyl-(L3), propyl-(L4), butyl-(L5)) have been synthesized and characterized by microanalysis, infrared spectroscopy, and 1H and 13C NMR spectroscopy. Th e bidentate S,O ligand precursor, the S-butyl derivative of thiosalicylic acid (S-bu-thiosal), was prepared, and its crystal structure was determined. Single crystals suitable for X-ray measurements were obtained by slow crystallization from a DMSO-water system. S-bu-thiosal crystallized in a P21/c space group of a monoclinic crystal system with a = 8.0732 (3) Å, b = 19.6769 (4) Å, c = 8.2291 (3) Å and Z = 4. S-bu-thiosal also has a coplanar geometry

Synthesis, characterization and antimicrobial activity of copper(II) complexes with some S-alkyl derivatives of thiosalicylic acid. Crystal structure of the binuclear copper(II) complex with S-methyl derivative of thiosalicylic acid

The five new copper(II) complexes with some S-alkyl derivatives of thiosalicylic acid (alkyl = benzyl (L1), methyl (L2), ethyl (L3), propyl (L4), butyl (L5)) have been synthesized and characterized by microanalysis and infrared spectra. The spectroscopically predicted structure of the obtained binuclear copper(II) complex with S-methyl derivative of thiosalicylic acid was confirmed by X-ray analysis. Single crystals suitable for X-ray measurements were obtained by slow crystallization from a water solution. The compound crystallizes with two binuclear Cu(II) complex molecules in the asymmetric unit. Both molecules have typical paddle-wheel structure with apical positions occupied by water molecules. The independent molecules showed slight difference in configuration mainly reflected in the different orientation of the phenyl rings relating to their carboxylate groups. Antimicrobial activity of these complexes was tested by microdilution method and both minimal inhibitory and microbicidal concentration were determined. The intensity of the antimicrobial activity varied depending on the species of microorganism and the compound type. In general, the activity of the complexes was higher than or similar to the corresponding ligands. All the tested complexes demonstrated moderate or selective antibacterial activity and low antifungal activity. (C) 2014 Elsevier Ltd. All rights reserved

Cytotoxicity of copper(II)-complexes with some S-alkyl derivatives of thiosalicylic acid. Crystal structure of the binuclear copper(II)-complex with S-ethyl derivative of thiosalicylic acid

The spectroscopically predicted structure of the obtained copper(II)-complex with S-ethyl derivative of thiosalicylic acid was confirmed by X-ray structural study and compared to previously reported crystal structure of the Cu complex with S-methyl derivative. Single crystals suitable for X-ray measurements were obtained by slow crystallization from a water solution. Cytotoxic effects of S-alkyl (R = benzyl (L1), methyl (12), ethyl (L3), propyl (IA) and butyl (L5)) derivatives of thiosalicylic acid and the corresponding binuclear copper(II)-complexes on murine colon carcinoma cell lines, 026 and CT26.CL25 and human colon carcinoma cell line HCT-116 were reported here. The analysis of cancer cell viability showed that all the tested complexes had low cytotoxic effect on murine colon carcinoma cell lines, but several times higher cytotoxicity on normal human colon carcinoma cells. (C) 2016 Elsevier B.V. All rights reserved

Stereospecific ligands and their complexes. Part XXI. Synthesis, characterization, circular dichroism and antimicrobial activity of cobalt(III) complexes with some edda-type of ligands. Crystal structure of potassium-Delta-(-)(589)-s-cis-oxalato-(S,S)-ethylenediamine-N,N -di-(2-propanoato)-cobaltate(III)-semihydrate, K-Delta-(-)(589)-s-cis-[Co(S,S-eddp)(ox)]center dot 0.5H(2)O

The octahedral cobalt(III) complexes with (S,S)-ethylenediamine-N,N-di-2-propionic (S,S-eddp) and (S,S)-ethylenediamine-N,N-di-2-(3-methyl)-butanoic (S,S-eddv) acids and oxalato and malonato ligands, as additional bidentate ligands, were prepared and characterized. The complexes were purified by ionexchange chromatography. The geometry of the complexes has been supposed on the basis of the infrared, electronic absorption and NMR spectra. The A absolute configurations of the isolated complexes have been predicted on the basis of their circular dichroism (CD) spectra and it was confirmed by single-crystal X-ray analysis of potassium-Delta-(-)(589)-s-cis-oxalato-(S,S)-ethylenediamine-N,N-di-(2-propanoato)-cobaltate(III)-semihydrate, K-Delta-(-)(589)-s-cis-[Co(S,S-eddp)(ox)]center dot 0.5H(2)O. Antimicrobial activity of ligands and obtained cobalt(III) complexes was evaluated by determining the minimum inhibitory concentration (MIC) and minimum microbicidal concentration (MMC) in relation to 13 species of microorganisms (five strains of pathogenic bacteria, five species pathogenic fungi and three species of probiotic). Tested ligands and complexes demonstrated moderate and low antibacterial and antifungal activity. There was no difference in activities between the ligands and complexes. (C) 2014 Elsevier Ltd. All rights reserved

Cytotoxicity of palladium(II) complexes with some alkyl derivates of thiosalicylic acid. Crystal structure of the bis(S-butyl-thiosalicylate)palladium(II) complex, [Pd(S-bu-thiosal)(2)]

The spectroscopically predicted structure of the obtained bis(S-butyl-thiosalicylate)palladium(II) complex, [Pd(S-bu-thiosal)(2)], was confirmed by an X-ray structural study. The asymmetric unit of [Pd(S-bu-thiosal)(2)] consists of neutral complex molecules, where the Pd(II) ion is placed in a cis-square-planar coordination environment formed by O and S atoms of two deprotonated S-butyl-thiosalicylic acid ligands. The cytotoxic effects of the S-alkyl (R = benzyl (L1), methyl (L2), ethyl (L3), propyl (L4) and butyl (L5)) derivatives of thiosalicylic acid and the corresponding palladium(II) complexes are reported here. The analysis of cancer cell viability showed that all the tested complexes are cytotoxic to human colon carcinoma cells (HCT-116 and CaCo-2) and human lung carcinoma epithelial cells (A549). The antitumor activities of the above mentioned Pd(II) complexes are higher in comparison to the corresponding ligands. (C) 2015 Elsevier Ltd. All rights reserved