Synthesis and characterization of novel bis(thiosemicarbazone) complexes and investigation of their acetylcholinesterase and glutathione S-transferase activities with in silico and in vitro studies.

In this study, firstly, bis(thiosemicarbazone) ligand [L: 2,2'-(2-(2-(4-methoxyphenyl)hydrazineylidene)cyclohexane-1,3-diylidene)bis(hydrazine-1-carbothioamide)] was synthesized by the condensation reaction of thiosemicarbazide and ketone compound (2-(2-(4-methoxyphenyl)hydrazone)cyclohexane-1,3-dione). The metal complexes were synthesized by the reaction of obtained ligand (L) with CuCl2·2H2O, NiCl2·6H2O, CoCl2·6H2O, and MnCl2·4H2O salts. The structures of synthesized ligand and their complexes were characterized using elemental analysis, IR, UV-Vis, 1H-NMR spectra, 13C-NMR spectra, magnetic susceptibility, mass spectra (LC-MS), thermogravimetry analysis-differential thermal analysis (TGA-DTA), and differential scanning calorimetry techniques. According to the results of the analysis, square plane geometry was suggested for Cu and Co complexes. However, the structures of Ni and Mn complexes were in agreement with octahedral geometry. Molecular docking analysis and pharmacological potential of the compound were evaluated to determine the inhibitory potential against acetylcholinesterase (AChE) and Glutathione-S-transferases (GST) enzymes. The compound exhibited strong binding/docking indices of - 5.708 and - 5.928 kcal/mol for the respective receptors. In addition, L-Ni(II) complex was found to be the most effective inhibitor for AChE enzyme with a Ki value of 0.519. However, with a Ki value of 1.119, L-Cu(II) complex was also found to be an effective inhibitor for the GST enzyme.

Synthesis, Structural Characterization and Biological Activity of Novel Cyclohexane-1,3-dione Ligands and Their Metal Complexes.

Some new Zn(II) and Cu(II) complexes [Cu(L1)(OAc)2]∙H2O, [Cu(L1)(NO3)H2O]∙NO3∙3.5H2O, [Zn(L1)(NO3)2]∙4.5H2O, [Zn(L1)(OAc)2(H2O)2]∙3H2O, [Cu2(L2)(OAc)4]∙2H2O∙2DMF, [Cu(L2)2]∙2NO3∙1.5DMF∙H2O, [Zn(L2)2(NO3)2]∙DMF and [Zn2(L2)(OAc)4(H2O)4]∙5H2O; L1 = 2-[2-(2-methoxyphenyl)hydrazono]cyclohexane-1,3-dione and L2 = 2-[2-(3-nitrophenyl)hydrazono]cyclohexane-1,3-dione were synthesized and characterized by IR, 1H-NMR,13C-NMR and ultraviolet (UV-Vis.) spectroscopy, elemental analysis, magnetic susceptibility, mass spectrometry and thermogravimetry-differential thermal analysis (TGA-DTA). The synthesized ligands and their complexes were tested for antibacterial activity against Escherichia coli ATCC 25922, Enterococcus faecalis ATCC 29212, Staphylococcus aureus ATCC 25923, and Salmonella typhimurium CCM 583. Some of complexes showed medium-level antibacterial activity against the test bacteria compared with ampicillin.

Temporal Changes in Concentrations of Some Trace Elements in Muscle Tissue of Crayfish, Astacus leptodactylus (Eschscholtz, 1823), from Keban Dam Lake.

Crayfish (Astacus leptodactylus Eschscholtz, 1823) is the native crayfish species in Turkey. It was exported regularly to Western Europe. In this study, bioaccumulation and temporal trends of some trace elements (arsenic: As, cadmium: Cd, copper: Cu, mercury: Hg, lead: Pb, and zinc: Zn) in edible abdomen muscle of crayfish from Keban Dam Lake (Elazig, Turkey) were investigated for the 2006-2012 period. Sequence of metal concentration levels was Zn > Cu > Hg > Pb > Cd > As in muscle tissues. The highest concentration of Zn (21.69 mg kg(-1)) was detected in 2006, while the lowest (4.35 mg kg(-1)) in 2009. In general, it was found that the concentrations of trace elements investigated were lower than the maximum permissible limits of the food regulations of the Ministry of Food, Agriculture, and Livestock (MFAL), the Turkish Food Codex and Commission Regulation (EC). If the crayfish selected for the study are recognized as bioindicators of environmental pollution, then it is possible to conclude that the changes in studied trace elements concentrations in the Keban Dam Lake are being steady.

Bioaccumulation, Sub-acute Toxicity, and Tissue Distribution of Engineered Titanium Dioxide (TiO2) Nanoparticles in Goldfish (Carassius auratus).

The increased use of nano-sized materials is likely to result in the release of these particles into the environment. It is, however, unclear if these materials are harmful to aquatic animals. In this study, the sub-lethal effects of exposure of low and high concentrations of titanium dioxide nanoparticles (TiO2 NPs) on goldfish (Carassius auratus) were investigated. Tissues, including intestine, gills, muscle, and brain were analyzed for Ti content by ICP-MS. Accumulation of TiO2 NPs increased from 42.71 to 110.68 ppb in the intestine and from 4.10 to 9.86 ppb in the gills of the goldfish with increasing exposure dose from 10 to 100 mg/L TiO2 NPs. No significant accumulation in the muscle and brain of the fish was detected. Malondialdehyde (MDA) as a biomarker of lipid oxidation was detected in the liver of the goldfish. Moreover, TiO2 NPs exposure inhibited growth of the goldfish. Although there was an increase (8.1%) in the body weights of the goldfish for the control group, in the low and high exposure groups 1.8% increase and 19.7 % decrease were measured respectively.