Search

In this work, nine new mixed-ligand complexes with the general formula [CuBr(TPP)2Tu1–9] were synthesized. The copper(I) complexes of triphenylphosphine (TPP) and different N,N′-disubstituted thioureas (Tu) were characterized via spectroscopic techniques including Fourier transform infrared spectroscopy (FTIR), nuclear magnetic resonance spectroscopy (1H, 13C, and 31P NMR), and single-crystal X-ray diffraction (SC-XRD). The complexes were synthesized via the direct reaction of bromo(tris(triphenylphosphine)copper(I)) [BrCu(PPh3)3] precursor and thiourea ligand solution under ambient conditions. Complexes 1, 2 and 3 crystallized in a triclinic system with the P space group. Each complex is mononuclear, and the copper atom is tetrahedrally attached to two TPP groups through the phosphorous atom, one thiourea molecule through the sulfur atom and one bromine atom. The synthesized compounds were docked with a DNA macromolecule to predict their binding site and it was found that all molecules showed favorable binding to the DNA minor grooves. The DNA interaction studies of the representative complexes demonstrated their efficient DNA binding affinities. Based on the docking and DNA interaction results, complex 7 was found to be the best binder with a docking affinity of 382.2 kJ mol−1 and binding constant of 3.96 × 104 M−1. This compound tends to interact with the minor groove through the bromine atom positioning the side triphenylphosphine rings along the X-axis of the groove while keeping the 1-(2-chlorobenzyl)-3-(3-(trifluoromethyl)phenyl)thiourea ring on the outside.

Thioureas are important building blocks in medicinal chemistry; ferrocenes as highly hydrophobic moieties induce very interesting qualities in medicinal compounds. In this article, we have ...

Nine new copper complexes with the general formula [CuX(TPP)n(ATU)3−n] (where X = Cl, Br, and I, ATU = acetylthiourea, TPP = triphenylphosphine and n varies as 0, 1 and 2) were synthesized in a simple fashion, by changing the ratio of the ligands. The synthesized complexes were characterized by techniques, such as FT-IR and NMR spectroscopy, CHNS elemental analysis and single crystal X-ray technique. The XRD technique showed the monodentate behavior of TPP and ATU. The synthesized compounds were utilized in different biological assays, which showed anti-bacterial, anti-fungal, anti-lieshmanial, anti-oxidant and cytotoxic properties against brine shrimps. In parallel, molecular docking was carried out to decipher the binding conformation and chemical interactions of the compounds in the active binding pockets of biological drug targets against bacterial pathogens and lieshmanial parasite, as well as a cancer target. All these analyses revealed compounds [CuCl(TPP)(ATU)2] and [CuI(TPP)(ATU)2] to be the most effective molecules of the series. Molecular docking indicated that hydrogen bonding and hydrophobic pi-interactions play important role for the activities of complexes with ligands TPP/ATU ratio of 1/2.

Correction for ‘Mononuclear copper(i) complexes of triphenylphosphine and N,N′-disubstituted thioureas as potential DNA binding chemotherapeutics’ by Syed Ishtiaq Khan et al., New J. Chem., 2021, 45, 8925–8935, DOI: 10.1039/D0NJ06182D.

In this article, we described a simple method of PdCu nanoparticles (NPs) synthesis in different morphologies at 120 °C using polyvinylpyrrolidone (PVP) capping agent and ethylene glycol (EG) solvent. Form instrumental characterization it is find out that PdCu NPs are prepared in different morphologies by varying the Pd:Cu weight percent (wt.%) ratios. Nanospheres (NS) are obtained in the absence of Cu, sphere-like NPs having Pd3Cu1 composition are obtained at 3:1 wt.% ratio, cubic NPs having Pd1Cu1 composition are obtained at 1:1 wt.% ratio and cube-like NPs having Pd1Cu3 composition are obtained at 1:3 wt.% ratio. The metals wt.% ratio not only controlled the morphology, but also affected the catalytic activity toward methanol oxidation reaction (MOR) and ethanol oxidation reaction (EOR) in alkaline media. The PdCu catalyst, in 1:1 wt.% ratio, have demonstrated high specific and mass activities toward MOR (18.07 mA cm−2 and 11.15 A mgPd−1) and EOR (10.24 mA cm−2 and 6.32 A mgPd−1) in alkaline media. Excellent catalytic activity and long-term stability of Pd1Cu1 toward both MOR and EOR is attributed to its stable cubic morphology, composition and synergetic effect, high electrochemical active surface area (ECSA) and PdO reduction at more negative potential. In comparison to the literature, the cubic-PdCu is one of the best electorcatalyst toward MOR and EOR. The cubic-PdCu NPs as anode have potential application in direct alcohol fuel cells owing to their excellent electrochemical performance, stability and cost effectiveness.

This manuscript presents the fabrication of FeSe thin films by aerosol assisted chemical vapor deposition of a single source ferrocene incorporated selenourea precursor (1-benzoyl-3-(4-ferrocenylphenyl)selenourea) at three different temperatures (450 °C, 500 °C and 550 °C) and three different concentrations of two different surfactants (triton and span) by keeping all the other conditions of film fabrication constant to have the glimpse about the morphological changes at different temperatures and different concentrations of the surfactants separately. Fabricated thin films have been characterized by PXRD, SEM and EDS. Cyclic voltammetry and UV–vis spectroscopy have been used to find out the mechanism of interaction between the surfactants and the precursor. Methylene blue degradations studies of a representative thin film have been carried out in the presence of direct sunlight with UV–vis spectroscopy.

Twelve new complexes, of the general formula CuCl(TPP)2Tu1-12 (Tu = thiourea), were synthesized by the reaction of CuCl(TPP)3 (TPP = triphenylphosphine) and various N,N′-disubstituted thioureas. The structures of the synthesized complexes were characterized by different techniques such as Fourier transform infrared (FTIR) spectroscopy, nuclear magnetic resonance (NMR) spectroscopy (1H, 13C, 31P and 19F) and the representative complexes (1, 2 and 12) were analyzed via single crystal X-ray diffraction. The single crystal X-ray analysis revealed that copper(I) is coordinated with chlorine, two TPP and the thiourea ligands through the sulfur atom in a mononuclear distorted tetrahedral mode. The compounds were tested for antibacterial, antifungal, cytotoxicity, antileishmanial and antioxidant activities. The results showed that the synthesized complexes are significantly more active than the free ligands and the commercial reference compounds. The high biological activities of the complexes versus free ligands can be attributed to the copper(I) chloride complexation with thiourea ligands. The synthesized complexes were also evaluated, both experimentally and theoretically, for DNA binding studies. The UV-visible spectroscopic and molecular docking studies demonstrated that the complexes are conjugating with DNA through a groove binding mode.