Synthesis, crystal structure, thermal analysis and molecular interactions of bis(3,5-dimethyl-3H-1,2,4-triazole)octamolybdate

This paper describes the synthesis of {bis(3,5-dimethyl-3H-1,2,4-triazole)octamolybdate}(2:1) molecule by mixing bis(acetylacetonato)dioxo molybdenum(VI) and 3-(E)-{1-(furan-2-yl)ethylidene)amino]-1-phenylurea. The structure of the molecule was determined by using single crystal X-ray diffraction technique. Structure determination reveals that the title complex Mo8O26.2(C4H9N3) contains two moieties namely an octamolybdate [Mo8O26] complex, and 3,5-dimethyl-1,2,4-triazole [2(C4H9N3)] in the unit cell. The [Mo8O26] unit consists of two {Mo4O13} subunits linked together by bridging oxygen atoms with an approximate C2h symmetry under Triclinic system, P space group with lattice parameters a = 10.1007(2), b = 10.3887(2), c = 13.0380(3) Å, α = 66.921(3) β = 69.466(3) γ = 62.892(2)°. The octamolybdate units are linked by methylmethanamine as chains via N-H…O interactions. The 1H-1H COSY NMR recorded in DMSO-d6 spectral data indicates the absence of the coupling between the protons. The thermal analysis indicates that the complex is thermally stable. The Hirshfeld surface of the compound mapped with dnorm (-1.0 a.u. to 1.0 a.u.) and the deep red spot on the Hirshfeld surface depicts the formation of strong N-H···O hydrogen bond

Lawsonia inermis plant-based cobalt oxide nanoparticles: Synthesis, characterization and their biological studies

In the current study synthesized Cobalt oxide nanoparticles (Co3O4 NPs) using Lawsonia inermis plant extract as fuel. The synthesized Co3O4 NPs were characterized using UV–visible spectroscopy, DLS, FT-IR, XRD, FESEM, and EDX analysis. The synthesized Co3O4 NPs were confirmed by the XRD analysis and their average size was determined using DLS and FESEM analysis. The average size of the cobalt oxide nanoparticles obtained from FESEM analysis was found to be around 98 nm and strong signals of cobalt were captured in EDX images. The synthesized Co3O4 NPs were tested on bacterial and fungal strains of three concentrations viz 50, 100 and 170 ppm. An increase in the concentration of Co3O4 NPs shows potent antibacterial and antifungal activities. The higher concentration (170 ppm) showed good antimicrobial activity on all strains of bacteria and fungi than the lower concentrations (50 and 100 ppm) of Co3O4 NPs. The observed zone of inhibition values against all bacteria and fungi ranged from 0.3 to 3.0 mm and 20 ± 0.42 mm to 0.3 to 2.9 mm, respectively. Among them, Staphylococcus and Streptococcus aureus showed more zones of inhibition at 170 ppm concentration. Meyerozyma guilliermondii fungal strain showed more zone of inhibition at 170 ppm concentration

Synthesis, characterization, DNA binding and nuclease activity of binuclear copper(II) complexes of cuminaldehyde thiosemicarbazones

Binuclear copper(II) complexes of thiosemicarbazones derived from cuminaldehyde (p-isopropyl benzaldehyde) and substituted thiosemicarbazides NH2NHC(S)NHR, where R = H, Me, Et or Ph have been synthesized and characterized. The ESR indicates that the dissociation of dimeric complex into mononuclear [Cu(L)Cl(DMSO)3] units in polar solvents like DMSO, where L = monoanionic thiosemicarbazone. The molecular ion peak in the LC-MS coincides with the formula weight of the complexes. The absorption titration studies revealed that each of these complexes is an avid binder to calf thymus-DNA. The apparent binding constants are in the order of 107–108 M−1. The nucleolytic cleavage activities of the ligands and their complexes were assayed on pUC18 plasmid DNA using gel electrophoresis in the presence and absence of H2O2. The ligands showed increased nuclease activity when administered as copper complexes. All these copper(II) complexes behave as an efficient chemical nucleases with hydrogen peroxide activation. These studies revealed that the complexes exhibit both oxidative and hydrolytic chemistry in DNA cleavage

Syntéza, molekulární dokování, antibakteriální a protizánětlivá aktivita tricyklických systémů obsahujících benzimidazolové tricyklické systémy

In the present study, we reported the synthesis of benzimidazole-containing tricyclic systems and evaluated their antimicrobial efficacy against some Gram-positive, Gram-negative strains, and their anti-inflammatory activity as well as a hemolytic assay in terms of percentage. The antimicrobial study of the synthesized compounds revealed that most of them showed significant activity, and compound 5b displayed excellent antimicrobial efficacy among all. Results showed that the hydroxyl group at the fourth position on the aromatic ring has a substantial role in the biological activity. Synthesized compounds showed promising minimum inhibitory concentration (mu g/mL) values in the range of 1.2-12.8 mu g/mL against the tested strains. The in vitro anti-inflammatory activity of these compounds was evaluated by denaturation of bovine serum albumin method and showed the inhibition in the range of IC50 value 31.16-94.63 mu g/mL. Among all the tested compounds, compound 5b has a significant IC50 value. The percentage of hemolysis of the target compounds ranged from 1.14 to 52.8 at a concentration of 100 mu g/mL. Molecular docking study revealed the good binding interactions against Escherichia coli, and it is best suited with in vitro studies. Pharmacokinetic studies showed the safe profiles for the title compounds.V této studii jsme podali zprávu o syntéze tricyklických systémů obsahujících benzimidazol a hodnotili jejich antimikrobiální účinnost proti některým grampozitivním a gramnegativním kmenům, jejich protizánětlivou aktivitu a hemolytický test v procentech. Antimikrobiální studie syntetizovaných sloučenin ukázala, že většina z nich vykazuje významnou aktivitu a sloučenina 5b vykazuje ze všech vynikající antimikrobiální účinnost. Výsledky ukázaly, že hydroxylová skupina ve čtvrté poloze na aromatickém kruhu má podstatnou roli v biologické aktivitě. Syntetizované sloučeniny vykazovaly slibné hodnoty minimální inhibiční koncentrace (mu g/ml) v rozmezí 1,2-12,8 mu g/ml proti testovaným kmenům. Protizánětlivá aktivita těchto sloučenin in vitro byla hodnocena metodou denaturace hovězího sérového albuminu a ukázala inhibici v rozmezí hodnot IC50 31,16-94,63 mu g/ml. Ze všech testovaných sloučenin má významnou hodnotu IC50 sloučenina 5b. Procento hemolýzy cílových sloučenin se pohybovalo od 1,14 do 52,8 při koncentraci 100 mu g/ml. Molekulární dokovací studie odhalila dobré vazebné interakce proti Escherichia coli a nejlépe vyhovuje studiím in vitro. Farmakokinetické studie ukázaly bezpečné profily pro titulní sloučeniny