Tricarbonylrhenium(I) complexes with the <i>N</i>,6-dimethylpyridine-2-carbothioamide ligand: combined experimental and calculation studies

<p>A new series of tricarbonyl complexes of rhenium(I) in the “2 + 1” system with the bidentate ligand <i>N</i>,6-dimethylpyridine-2-carbothioamide ((CH₃)NC₅H₄-CS-NH-CH₃, MeLH<i>(Me)</i>_NS) and a monodentate ligand (halides Cl, Br, or I, and the pseudohalide NCS anion) was synthesized. The use of mixed ligands led to the formation of neutral tricarbonylrhenium(I) complexes [Re(CO)₃(MeLH<i>(Me)</i>_NS)X] (X = Cl, Br, I, NCS) (<b>1</b>–<b>4</b>). Single-crystal X-ray diffraction was used to determine the crystal structures of all four compounds and those results were compared with molecular structures obtained from DFT calculations using the PBE0/def2-TZVPD approach. The complexes were also characterized by spectroscopic (FT-IR, NMR, and UV–vis) and analytical (HPLC, TGA, EA, ESI-MS) techniques. IR and UV–vis spectra were also calculated by DFT and TD-DFT methods. The cytotoxicity of these complexes was estimated using human ovarian cancer cell lines (A2780 and A2780cis), cervical cancer cells (HeLa), and non-cancerous human embryonic kidney cells (Hek-293). The toxicity of most complexes was moderate or low toward cancer cell lines (IC₅₀ = 46–231 μM) and similar against non-cancerous cells (IC₅₀ = 41-121 μM). Only the complex with chlorido ligand remarkably inhibited growth of ovarian cancer cells (IC₅₀ = 3 and 12 μM for A2780 and A2780cis, respectively). The cytotoxicity of <b>1</b> was higher than that of cisplatin.</p

Additional file 2: Figure S2. of Effect of Surface Functionalization on the Cellular Uptake and Toxicity of Nanozeolite A

Interference of metabolic activity (MTT assay) with nanozeolites in a cell-free system. Interference of MTT dye with nanozeolites at concentrations range from 5 to 50 μg/mL (from 1.5 to 15 μg/cm2) in order to verify the credibility of the MTT assay in the cell-free system. (PDF 31 kb

Additional file 4: Table S1. of Effect of Surface Functionalization on the Cellular Uptake and Toxicity of Nanozeolite A

Statistical analysis of pairwise between groups comparison of nanozeolite internalization process. Description of data: Statistical analysis of the nanozeolite internalization data for the different types of nanozeolites in the same time point and for the same type nanozeolite in different time points. Data were evaluated by the Student t test. (PDF 10 kb

MOESM1 of Glucose availability determines silver nanoparticles toxicity in HepG2

Additional file 1. Expression on mRNA level of all tested genes. Results are shown as fold change of expression in cells sustained on low glucose medium (5.5 mM) when compared with cells sustained on high glucose medium (25 mM)

Additional file 1: Figure S1. of Effects of silver nanoparticles and ions on a co-culture model for the gastrointestinal epithelium

Mucus layer characterization (Alcian blue staining). Figure S2. Mucus layer characterization (Toluidine blue staining and TEM). Figure S3. Mucus layer characterization (Toluidine blue staining, top view). Figure S4. Cell monolayer integrity evaluation (TEER). Figure S5. Cell-free DCFH-DA assay. Figure S6. TEM images of cells in co-culture exposed to Ag particles. Figure S7. Hierarchical clustering. Table S1. Detailed information on protein identification. Table S2. Cellular Ag content determination. Table S3. KEGG enrichment analysis. (DOCX 1.17 mb