Supplementary data for article: Zianna, A.; Sumar Ristovic, M.; Psomas, G.; Hatzidimitriou, A.; Coutouli-Argyropoulou, E.; Lalia-Kantouri, M. Cadmium(II) Complexes of 5-Nitro-Salicylaldehyde and α -Diimines: Synthesis, Structure and Interaction with Calf-Thymus DNA. Journal of Coordination Chemistry 2015, 68 (24), 4444–4463. https://doi.org/10.1080/00958972.2015.1101075

Supplementary material for: [https://doi.org/10.1080/00958972.2015.1101075]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/2004]Related to accepted version: [http://cherry.chem.bg.ac.rs/handle/123456789/3350

Supplementary material for the article: Ristovic, M. S.; Zianna, A.; Psomas, G.; Hatzidimitriou, A. G.; Coutouli-Argyropoulou, E.; Lalia-Kantouri, M. Interaction of Dinuclear Cadmium(II) 5-Cl-Salicylaldehyde Complexes with Calf-Thymus DNA. Materials Science and Engineering C 2016, 61, 579–590. https://doi.org/10.1016/j.msec.2015.12.054

Supplementary material: [https://doi.org/10.1016/j.msec.2015.12.054]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/2052

Toward multifunctional materials incorporating stepladder manganese(III) inverse-[9-MC-3]-Metallacrowns and anti-inflammatory drugs

The interaction of Mn(ClO4)2·6H2O with salicylaldoxime (H2sao) in the presence of nonsteroidal anti-inflammatory drug (NSAID) sodium diclofenac (Nadicl) or indomethacin (Hindo) leads to the formation of the hexanuclear Mn(III) clusters [Mn6(O)2(dicl)2(sao)6(CH3OH)6] (1) and [Mn6(O)2(indo)2(sao)6(H2O)4] (2) both characterized as stepladder inverse-9-metallacrown-3 accommodating dicl- or indo- ligands, respectively. When the interaction of MnCl2·4H2O with Nadicl or Hindo is in the absence of H2sao, the mononuclear Mn(II) complexes [Mn(dicl)2(CH3OH)4] (3) and [Mn(indo)2(CH3OH)4] (4) were isolated. The complexes were characterized by physicochemical and spectroscopic techniques, and the structure of complexes 1 and 2 was characterized by X-ray crystallography. Magnetic measurements (dc and ac) were carried out in order to investigate the nature of magnetic interactions between the magnetic ions and the overall magnetic behavior of the complexes

Supplementary data for the article: Zianna, A.; Ristović, M. Š.; Psomas, G.; Hatzidimitriou, A.; Coutouli-Argyropoulou, E.; Lalia-Kantouri, M. Cadmium(II) Complexes of 5-Bromo-Salicylaldehyde and α-Diimines: Synthesis, Structure and Interaction with Calf-Thymus DNA and Albumins. Polyhedron 2016, 107, 136–147. https://doi.org/10.1016/j.poly.2016.01.020

Supplementary material for: [https://doi.org/10.1016/j.poly.2016.01.020]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/1923

Supplementary data for article: Zianna, A.; Sumar Ristovic, M.; Psomas, G.; Hatzidimitriou, A.; Coutouli-Argyropoulou, E.; Lalia-Kantouri, M. Cadmium(II) Complexes of 5-Nitro-Salicylaldehyde and α -Diimines: Synthesis, Structure and Interaction with Calf-Thymus DNA. Journal of Coordination Chemistry 2015, 68 (24), 4444–4463. https://doi.org/10.1080/00958972.2015.1101075

Supplementary material for: [https://doi.org/10.1080/00958972.2015.1101075]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/2004]Related to accepted version: [http://cherry.chem.bg.ac.rs/handle/123456789/3350

Supplementary material for the article: Ristovic, M. S.; Zianna, A.; Psomas, G.; Hatzidimitriou, A. G.; Coutouli-Argyropoulou, E.; Lalia-Kantouri, M. Interaction of Dinuclear Cadmium(II) 5-Cl-Salicylaldehyde Complexes with Calf-Thymus DNA. Materials Science and Engineering C 2016, 61, 579–590. https://doi.org/10.1016/j.msec.2015.12.054

Supplementary material: [https://doi.org/10.1016/j.msec.2015.12.054]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/2052

In-depth synthetic, physicochemical and in vitro biological investigation of a new ternary V(IV) antioxidant material based on curcumin.

Curcumin is a natural product with a broad spectrum of beneficial properties relating to pharmaceutical applications, extending from traditional remedies to modern cosmetics. The biological activity of such pigments, however, is limited by their solubility and bioavailability, thereby necessitating new ways of achieving optimal tissue cellular response and efficacy as drugs. Metal ion complexation provides a significant route toward improvement of curcumin stability and biological activity, with vanadium being a representative such metal ion, amply encountered in biological systems and exhibiting exogenous bioactivity through potential pharmaceuticals. Driven by the need to optimally increase curcumin bioavailability and bioactivity through complexation, synthetic efforts were launched to seek out stable species, ultimately leading to the synthesis and isolation of a new ternary V(IV)-curcumin-(2,2’-bipyridine) complex. Physicochemical characterization (elemental analysis, FT-IR, Thermogravimetry (TGA), UV-Visible, NMR, ESI-MS, Fluorescence, X-rays) portrayed the solid-state and solution properties of the ternary complex. Pulsed-EPR spectroscopy, in frozen solutions, suggested the presence of two species, cis- and trans-conformers. Density Functional Theory (DFT) calculations revealed the salient features and energetics of the two conformers, thereby complementing EPR spectroscopy. The well-described profile of the vanadium species led to its in vitro biological investigation involving toxicity, cell metabolism inhibition in S. cerevisiae cultures, Reactive Oxygen Species (ROS)-suppressing capacity, lipid peroxidation, and plasmid DNA degradation. A multitude of bio-assays and methodologies, in comparison to free curcumin, showed that it exhibits its antioxidant potential in a concentration-dependent fashion, thereby formulating a bioreactivity profile supporting development of new efficient vanado-pharmaceuticals, targeting (extra)intra-cellular processes under (patho)physiological conditions

Palladium(II) Complexes of Substituted Salicylaldehydes: Synthesis, Characterization and Investigation of Their Biological Profile

Five palladium(II) complexes of substituted salicylaldehydes (X-saloH, X = 4-Et2N (for 1), 3,5-diBr (for 2), 3,5-diCl (for 3), 5-F (for 4) or 4-OMe (for 5)) bearing the general formula [Pd(X-salo)2] were synthesized and structurally characterized. The crystal structure of complex [Pd(4-Et2N-salo)2] was determined by single-crystal X-ray crystallography. The complexes can scavenge 1,1-diphenyl-picrylhydrazyl and 2,2′-azinobis(3-ethylbenzothiazoline-6-sulfonic acid) radicals and reduce H2O2. They are active against two Gram-positive (Staphylococcus aureus and Bacillus subtilis) and two Gram-negative (Escherichia coli and Xanthomonas campestris) bacterial strains. The complexes interact strongly with calf-thymus DNA via intercalation, as deduced by diverse techniques and via the determination of their binding constants. Complexes interact reversibly with bovine and human serum albumin. Complementary insights into their possible mechanisms of bioactivity at the molecular level were provided by molecular docking calculations, exploring in silico their ability to bind to calf-thymus DNA, Escherichia coli and Staphylococcus aureus DNA-gyrase, 5-lipoxygenase, and membrane transport lipid protein 5-lipoxygenase-activating protein, contributing to the understanding of the role complexes 1–5 can play both as antioxidant and antibacterial agents. Furthermore, in silico predictive tools have been employed to study the chemical reactivity, molecular properties and drug-likeness of the complexes, and also the drug-induced changes of gene expression profile (as protein- and mRNA-based prediction results), the sites of metabolism, the substrate/metabolite specificity, the cytotoxicity for cancer and non-cancer cell lines, the acute rat toxicity, the rodent organ-specific carcinogenicity, the anti-target interaction profiles, the environmental ecotoxicity, and finally the activity spectra profile of the compounds