Spectrophotometric determination of fluoride in drinking water using aluminium complexes of triphenylmethane dyes

A sensitive spectrophotometric determination of fluoride in drinking water has been developed using aluminium complexes of triphenylmethane dyes (chrome azurol B and malachite green) as spectrophotometric reagents. The method allowed a reliable determination of fluoride in the range of 0.5–4.0 mg·l-1 for chrome azurol B and 0.0–2.0 mg·l-1 for malachite green. The molar absorptivity for the complexes of chrome azurol B at 582 nm and malachite green at 622 nm is 1.44 × 104 and 2.56 × 104 l·mol-1·cm-1, respectively. The sensitivity, detection limit, quantitation limit, and percentage recovery for 1.5 mg·l-1 fluoride for the method using chrome azurol B were found to be 0.125 ± 0.003 µg·ml-1, 0.2 mg·l-1, 0.5 mg·l-1, and 97.1 ± 4.2, respectively, and for malachite green were 0.143 ± 0.002 µg·ml-1, 0.1 mg·l-1, 0.3 mg·l-1, and 97.9 ± 4.1, respectively

Synthesis, NMR, DFT, GRD, MEP, FMO’s analysis and comparison of E and Z-isomer of N'-((4-bromothiophen-2-yl)methylene)naphthalene-2-sulfonohydrazide

A novel Schiff base N'-((4-bromothiophen-2-yl) methylene) naphthalene-2-sulfonohydrazide ligand was prepared by condensation of equivalents amount of naphthalene -2-sulfonylhydrazide with 4-bromo-2-thiophenecarboxaldehyde. The newly synthesized ligand was isolated in excellent yield. CHN-EA, UV-Vis., GC/MS, FT-IR, 1H and 13C NMR were used to determine the structure of the desired ligand. Density functional theory DFT B3LYP/6-311G(d,p) was performed to optimize the E and Z- structural isomerization process. Several quantum calculation parameters like optimized bond length, angle ant torsional angels in addition to HOMO/LUMO, GRD, and MEP map, for both E and Z isomers have been calculated and compared under the same level of theory

In vitro assessments of cytotoxic and cytostatic effect of two [Cu(dien)(N-N)]Br2 complexes on L6, HCT, PC3 and HepG2 cancer cells

Two new Cu(II) complexes of type [Cu(dien)(N-N)] Br2 (dien is diethlylenetriamine, C1 complex with N-N = diethlylenetriamine and C2 complex with N-N = propyl-1,3-diamine) were made valuable  and in vitro screened for both cytostatic and cytotoxic activities against four cell lines: colon cancer (HCT), liver cancer (HepG2), prostate cancer (PC3) and as control cell (L6) human muscle cell was used via MTT test. The results reflected these complexes as a promising activity antiprolifrative agent against the used cell lines indicating that C1 and C2 complexes have a high anticancer activity at non-toxic concentrations

Synthesis, XRD, DFT-optimization, MEP and Hirshfeld surface analysis of di-μ-Chloro-bis[chloro(1,10-phenanthroline)Cd(II) dimer

Cadmium(II) dimer complex of type  [Cd2(phen)2Cl4] was made available in a high yield, the structure of the dimer was solved by XRD then optimized via density functional theory (DFT) and  Hirschfield computed methods. The structure parameters like: angles and bonds lengths were compared to their DFT-relatives, Hirschfield surface analysis (HAS), molecular electrostatic potential (MEP) and Mulliken charge populations were also matched to the XRD-packing collected result. The dimer was crystallized in the Triclinic/P-1 system with Z = 4. The two Cd(II) centers in the dimer found to be with a distorted square-pyramidal geometry. Crystallographic data for desired dimer was deposited to the Cambridge Crystallographic Center under CCDC No. 1911235