Tetraphenylethylene-thiosemicarbazone based ultrafast, highly sensitive detection of hypochlorite in aqueous environments and dairy products.

We have designed and synthesised a novel fluorescent probe with a tetraphenylethylene (TPE) scaffold as an active fluorescent unit and thiosemicarbazide (TSC) group as a recognition unit. The probe, TPE-TSC, exhibited superior selectivity towards hypochlorite (ClO-) with a low limit of detection (2.0 nM). It also demonstrated a turn-off response for a brief period (<30 s) via an oxidation reaction. Furthermore, high-resolution mass spectrometry (HRMS) revealed that TPE-TSC reacted with ClO- by forming a carboxylic acid moiety in nearly 100% aqueous environments. More significantly, the probe detected ClO- in disinfectant, spiked milk samples, and spiked water samples. In all, TPE-TSC proposes an optimistic approach precisely for the determining the quality of milk and water contaminated with ClO- and trace amounts of ClO- in disinfectants.

Rapid, ultrasensitive, highly selective detection of toxic Hg(II) ions in seabass, swordfish and water samples.

A novel fluorescent probe bearing triphenylamine, thiophene and thiosemicarbazide (TPA-TSC) was developed, and its distinct features were investigated. TPA-TSC demonstrated excellent selectivity towards Hg2+ ions, with a limit of detection (0.14 nM) among the lowest reported to date. It also exhibited a turn-off response by forming stable complex for a brief period (<30 s). Job plot analysis and high-resolution mass spectrometry (HRMS) revealed that TPA-TSC bound to Hg2+ with a 2:1 stoichiometry in an aqueous environment, remarkably the probe successfully detected Hg2+ ions in seabass, swordfish and different samples of water. In all, TPA-TSC offers a promising method for accurately determining the quality of seafood and water samples polluted with Hg2+.

Synthesis and antioxidant activities of new nickel(II) complexes derived from 4-benzyloxysalicylidene-S-methyl/propyl thiosemicarbazones.

Six nickel(II) complexes of the N2O2 chelating thiosemicarbazones were synthesized using N1-4-benzyloxysalicylidene-S-methyl/propyl thiosemicarbazone and methoxy-substitute-salicylaldehydes in the presence of Ni(II) ion by template reaction. The structures of thiosemicarbazones and nickel(II) complexes were characterized by elemental analysis, UV-Vis, IR, and 1H-NMR spectroscopies. The structure of the N1-4-benzyloxysalicylidene-S-propyl thiosemicarbazone ( 2 ) was determined by X-ray single-crystal diffraction method. The total antioxidant capacities of synthesized compounds were evaluated by using cupric reducing antioxidant capacity (CUPRAC) method. The thiosemicarbazones exhibited more potent antioxidant capacity than Ni(II) complexes. Trolox equivalent antioxidant capacity (TEAC) of 1c was found highest in tested nickel(II) complexes. In addition, antioxidant activities of tested compounds were evaluated by using the hydroxyl radical, DPPH radical, and ABTS radical scavenging abilities of these compounds.

Synthesis, molecular modelling, FT-IR, Raman and NMR characterization, molecular docking and ADMET study of new nickel(II) complex with an N4-tetradentate thiosemicarbazone.

A new nickel(II) complex was synthesized by using S-propyl-thiosemicarbazide and 2-amino-3,5-dibromobenzaldehyde. The complex, obtained by the template effect of nickel ions, was structurally analysed by experimental and theoretical vibrational spectroscopy, NMR and density functional theory (DFT) calculations. By using DFT/B3LYP method with 6-311++G(d, p) basis set, the most stable molecular structure of the title molecule was calculated. The fundamental vibrational wavenumbers, IR and Raman intensities for the optimized structure of the molecule under investigation were determined and compared with the experimental vibrational spectra. The vibrational assignment was achieved using the calculated potential energy distributions of the vibrational modes. Moreover, the molecular electrostatic potential (MEP), the highest occupied molecular orbital (HOMO) and the lowest occupied molecular orbital (LUMO) energies were calculated, Molecular docking of the molecule was carried out against DNA in order to identify the potential inhibitory action of the title compound. The findings suggested that the aforementioned compound has a strong binding affinity to interact with DNA residues DT8, DC9, DG12, DG16, DA17, and DA18 through the intermolecular hydrogen bonds. Also the performed in silico ADMET analysis was the prediction of the synthesized molecule's pharmacokinetic and toxicity profile expressing good oral drug like actions and non-toxic nature. The complex has been shown to have the possibility to become a model molecule for drug development processes.Communicated by Ramaswamy H. Sarma.

Palladium (II) complexes with thione and thioalkylated thiosemicarbazones: Electrochemical, antimicrobial and thermogravimetric investigations.

Four methoxy substitute salicylidene thiosemicarbazones were synthesized. The reaction of both thione and thioalkylated thiosemicarbazones with PdCl2 in ethanol yields ONS-coordinated chelate complexes with general formula [Pd(L)Cl]. The structures of eight compounds were characterized by using analytical and spectroscopic methods. Electrochemistry of the Pd(II) complexes was studied using cyclic voltammetric technique. The CVs of the complexes were quite complicate because of some oxidative responses of the ligands which proceed by forming conjugated -N=CH-, -HC=CH- and -N=CH-HC=CH- groups. Two cathodic responses attributed to one electron reduction of Pd(II)/(I) and Pd(I)/(0) were observed for the central ion coordinated with S atom of H3C-S- group whereas only one reduction peak appeared when the Pd(II) coordinated with S atom of >C=S group of thiosemicarbazone ligand. The latter also showed an additional anodic response assigned to Pd(II)/(III) oxidation. Thermogravimetric analysis (TGA) technique was used to investigate and compare the thermal properties of the ligands and their metal complexes. In vitro antimicrobial activity of thiosemicarbazones and their complexes was evaluated against four Gram-negative bacteria, three Gram-positive bacteria, and antifungal activity against three fungi.