Structure, interaction with biomolecules, and cytotoxicity of copper (II) complexes chelating some Schiff base ligands

Structure, interaction with biomolecules, and cytotoxicity of copper (II) complexes chelating some Schiff base ligands

The interactions of Cu (II) complexes with Schiff bases as ligands and DNA (ct-DNA/Salmon Sperm DNA) were investigated using electronic absorption, spectroscopic fluorescence method, and viscosity measurements and investigated by electrophoretic mobility shift assay. Cytotoxicity analyses were performed on human colorectal carcinoma HCT-166 and healthy lung fibroblast MRC-5.


Cancer remains one of the most common diseases worldwide in terms of deaths and claims many lives every day. Transition metal complexes are candidates in the development of anticancer drugs, with cisplatin being used in chemotherapy worldwide. Copper, an endogenous metal, is known for its pronounced redox potential and nucleophilicity, especially when bound to biological molecules. Cu (II) complexes were synthesized containing ethane-1,2-diamine as amine moiety and pentane-2,4-dione and/or 1-phenylbutane-1,3-dione, pentane-2,4-dione and/or 1,1,1-trifluoropentane-2,4-dione or 1,1,1-trifluoropentane-2,4-dione and/or 1-phenylbutane-1,3-dione as β-diketone moiety. Standard methods were used to confirm the structure of complexes 1–6. X-ray crystal structure analysis characterized complex 1 containing the ligand ethane-1,2-diamine and pentane-2,4-dione. The interactions of complexes 16 with calf thymus DNA (ct-DNA) were followed by electronic absorption and fluorescence spectroscopy methods and by viscosity measurements. In contrast, interaction with Salmon Sperm DNA was investigated using the electrophoretic mobility shift assay. The results indicate a moderate affinity of complexes 1–6 for binding to DNA. Gel electrophoresis also shows that the studied complexes have a concentration-dependent interaction with DNA. Spectroscopic fluorescence techniques were used to monitor the affinity of the complexes for bovine serum albumin (BSA). Complexes 16 showed satisfactory binding ability for BSA. Cytotoxicity analyses were performed on the human colorectal carcinoma HCT-116 and healthy lung fibroblast MRC-5 cell lines, showing that complex 5 exhibited selectivity between cancer and normal cells, which is critical for drug development.

Cationic conjugated oligomers for efficient and rapid antibacterial photodynamic therapy via both Type I and Type II pathways

Comprehensive Summary

Recently, photodynamic therapy (PDT) has attracted wide attention due to its less susceptibility to drug resistance, broad-spectrum biocidal activity and biosafety in normal tissues. However, the traditional photosensitizers (PSs) face the disadvantage of poor therapeutic efficacy due to the requirement of an aerobic environment to generate 1O2 through Type ІI pathway. Herein, we designed and synthesized a novel cationic conjugated oligomer OPV and studied its antibacterial photodynamic activity against both Gram-negative Escherichia coli (E. coli) and Gram-positive bacteria methicillin-resistant Staphylococcus aureus (MRSA). Importantly, the OPV can rapidly produce reactive oxygen species (ROS) through double pathways, Type I and II mechanism under white light irradiation, and efficiently kill E. coli and MRSA at a nanomolar level. The dual type photosensitizing capability makes OPV promising for enhanced PDT to treat pathogens and tumors in complex environments.

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Palladium(II)‐Catalyzed Markovnikov Hydroalkynylation of Unactivated Terminal Alkenes

Main observation and conclusion

In this study, we communicate a Pd(II)-catalyzed Markovnikov hydroalkynylation of unactivated terminal alkenes, which provides an efficient method to access branched alkynes in good yields and excellent regioselectivity, where IBX was used as alkynyl reagent and hydrosilane as reducing reagent. After the initial alkene insertion into alkynyl-Pd(II) species, the generated alkyl-Pd(II) was reduced by hydrosilane to give the hydroalkynylation product efficiently. Notably, a pyridine-oxazoline (Pyox) plays a key role in the reactivity and selectivity.

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Synthesis, spectroscopic, molecular docking, theoretical calculations, DNA‐binding, and anticancer activity studies of gold (III), platinum (II), palladium (II), and ruthenium (III) complexes with Girard‐T reagent

Synthesis, spectroscopic, molecular docking, theoretical calculations, DNA-binding, and anticancer activity studies of gold (III), platinum (II), palladium (II), and ruthenium (III) complexes with Girard-T reagent

Preparation of metal complexes of Girard-T hydrazones Geometry optimization, thermal degradation, and biological Studies of investigated compounds 3D molecular docking interaction of GT.O ligand towards the inhibitor to MCF-7 through a ππ stacking between aromatic ring and PHE856


This article details the synthesis of new Girard-T reagent ligands. Condensation of 2-hydroxyacetophenone or 2-acetyl-thiophene with Girard-T reagent results in new hydrazone ligands. The interaction of these Girard-T hydrazones with transition metal chlorides, like Au (III), Ru (III), Pd (II), and Pt (II), produces different complexes. Elements and spectrum analyses (IR, UV–Vis, EI-mass, and 1H NMR) were used to characterize the isolated solid complexes, as well as conductimetric and magneto-chemical studies. Metal complexes can have different geometrical configurations, including square planar and octahedral coordination. The DMOL3 method, which is a part of the Material Studio package, was also utilized for structure optimization. Horowitz–Metzger and Coats–Redfern methods were utilized to calculate the various thermodynamic and kinetic parameters. The ligands and the complexes of their metal were evaluated for anticancer activity against carcinoma cervix (Prostate) and the mammary gland female breast (MCF-7) cell line having cancer, with promising results. Among these compounds, the Ru (III) and Pt (II) complexes' anticancer activity against (MCF-7) cell lines, comparable with that of 5-fluorouracil were carried out and their interactions were performed by molecular docking simulations against MCF-7 (PDB ID: 3W2S) receptor.

The influences of diameter distribution change of zeolitic imidazolate framework‐67 crystal on electrochemical behavior for lithium‐sulfur cell cathode

The influences of diameter distribution change of zeolitic imidazolate framework-67 crystal on electrochemical behavior for lithium-sulfur cell cathode

This study shows that the particle size of ZIF-67 can be controlled by adjusting the reactant concentration, enabling manipulation of the electrochemical properties as a sulfur host.


To improve the electrochemical performance of Li-S batteries, sulfur composites are prepared through sulfur's melt-diffusion into porous materials such as metal organic frameworks (MOFs). MOFs are porous nanocrystalline materials consisting of metal ions and organic ligands. Due to their high porosity, specific surface area, and easily controllable porous structure, MOFs and their derivatives are considered useful materials for holding sulfur. Herein, the effect of the concentration of the reactants on the particle diameter distribution of ZIF-67 is studied, and the performance of the product as a sulfur host for Li-S battery cathode is evaluated. ZIF-67 was prepared by regulating the Co2+ concentration in solution from 10 to 250 mM, with a constant mole ratio between Co2+ and the organic ligand. Cyclovoltammetry, galvanostatic charge–discharge, and rate capability tests were performed to electrochemically characterize each sample as a sulfur host for Li-S battery cathodes. MeZ-50 mM, prepared with 50 mM Co2+ ion solution, had the smallest particle diameter (591 nm). The sulfur cathode utilizing MeZ-50 mM afforded the best electrochemical performance (883.7 mAh gS −1). This study demonstrates that the particle size of ZIF-67 can be controlled by adjusting the reactant concentration, enabling manipulation of the electrochemical properties as a sulfur host.

Rhodium‐Catalyzed Asymmetric Transfer Hydrogenation of Heterocyclic Diaryl Ketones: Facile Access to Key Intermediate of Baloxavir

Comprehensive Summary

Transition metal-catalyzed asymmetric transfer hydrogenation has been proved to be a powerful approach for the synthesis of chiral alcohols. Herein, A highly efficient and enantioselective transfer hydrogenation of dibenzoheptaheterocyclic ketones catalyzed by an arene-tethered TsDPEN-based Rh(III) catalyst has been successfully developed, and a variety of dibenzoheptaheterocyclic ketones were reduced by a 1/1 mixture of formic acid and DBU (1,8-diazabicyclo[5.4.0]undec-7-ene) with high yields and enantioselectivities. With this method, the asymmetric reduction of 7,8-difluorodibenzo[b,e]thiepin-11(6H)-one has been realized, providing the key intermediate of baloxavir marboxil with >99% yield and >99% ee at a substrate/catalyst molar ratio of 1000.

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Synergistic Effect of Nitrogen/Phosphorus Co‐Doping and Molybdenum Carbide Induced Electron Redistribution of Carbon Layer to Boost Hydrogen Evolution Reaction

Abstract

The development of highly efficient non-precious-metal-based electrocatalysts for the hydrogen evolution reaction is imperative for promoting the large-scale application of electrochemical water splitting. Herein nitrogen/phosphorus co-doped carbon nanorods encapsulated Mo2C nanoparticles (Mo2C@PNC) have been prepared by pre-phosphating treatment in combination of the coordination with polydopamine and the subsequent pyrolysis. The phosphating temperature has a significant effect on the content of phosphorus within the resultant Mo2C@PNC, and the optimal catalyst delivers superior HER activity with the low overpotential of 104 mV at a current density of 10 mA cm-2 and good stability for 8 h, which has been theoretically demonstrate to originate from the synergistic effect between P doping and Mo2C induced electron redistribution of nitrogen-doped carbon layer.

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Screening of Cu4O3 NPs efficacy and its anticancer potential against cervical cancer

Abstract

Cu4O3 is the least explored copper oxide, and its nanoformulation is anticipated to have important therapeutic potential especially against cancer. The current study aimed to biosynthesize Cu4O3 nanoparticles (NPs) using an aqueous extract of pumpkin seeds and evaluate its antiproliferative efficacy against cervical cells after screening on different cancer cell lines. The obtained NPs were characterized by different spectroscopic analyses, such as UV-vis, thermogravimetric, energy dispersive X-ray, and Fourier-transform infrared spectroscopy (FTIR). In addition, high-resolution transmission electron microscopes (HR-TEM) were used to observe the morphology of the biosynthesized NPs. The UV-vis spectra showed a peak at around 332 nm, confirming the formation of Cu4O3 NPs. Moreover, FTIR and TAG analyses identified the presence of various bioactive phytoconstituents that might have worked as capping and stabilization agents and comparative stable NPs at very high temperatures, respectively. The HR-TEM data showed the spherical shape of Cu4O3 NPs in the range of 100 nm. The Cu4O3 NPs was screened on three different cancer cell lines viz., Hela, MDA-MB-231, and HCT-116 using cytotoxicity (MTT) reduction assay. In addition, Vero was taken as a normal epithelial (control) cell. The high responsive cell line in terms of least IC50 was further assessed for its anticancer potential using a battery of biological tests, including morphological alterations, induction of apoptosis/ROS generation, regulation of mitochondrial membrane potential (MMP), and suppression of cell adhesion/migration. Vero cells (control) showed a slight decline in % cell viability even at the highest tested Cu4O3 NPs concentration. However, all the studied cancer cells viz., MDA-MB-231, HCT 116, and HeLa cells showed a dose-dependent decline in cell viability after the treatment with Cu4O3 NPs with a calculated IC50 value of 10, 11, and 7.2 µg/mL, respectively. Based on the above data, Hela cells were chosen for further studies, that showed induction of apoptosis from 3.5 to 9-folds by three different staining techniques acridine orange/ethidium bromide (AO/EB), 4′,6-diamidino-2-phenylindole (DAPI), and propidium iodide (PI). The enhanced production of reactive oxygen species (>3.5-fold), modulation in MMP, and suppression of cell adhesion/migration were observed in the cells treated with Cu4O3 NPs. The current study obtained the significant antiproliferative potential of Cu4O3 NPs against the cervical cancer cell line, which needs to be confirmed further in a suitable in vivo model. Based on our results, we also recommend the green-based, eco-friendly, and cost-effective alternative method for synthesizing novel nanoformulation.