Synthesis, Characterization, and Biological Activity of N1-Methyl-2-(1H-1,2,3-Benzotriazol-1-y1)-3-Oxobutan- ethioamide Complexes with Some Divalent Metal (II) Ions

A new series of Zn2+, Cu2+, Ni2+, and Co2+ complexes of N1-methyl-2-(1H-1,2,3-benzotriazol-1-yl)-3-oxobutanethioamide (MBOBT), HL, has been synthesized and characterized by different spectral and magnetic measurements and elemental analysis. IR spectral data indicates that (MBOBT) exists only in the thione form in the solid state while 13C NMR spectrum indicates its existence in thione and thiole tautomeric forms. The IR spectra of all complexes indicate that (MBOBT) acts as a monobasic bidentate ligand coordinating to the metal(II) ions via the keto-oxygen and thiolato-sulphur atoms. The electronic spectral studies showed that (MBOBT) bonded to all metal ions through sulphur and nitrogen atoms based on the positions and intensity of their charge transfer bands. Furthermore, the spectra reflect four coordinate tetrahedral zinc(II), tetragonally distorted copper(II), square planar nickel(II), and cobalt(II) complexes. Thermal decomposition study of the complexes was monitored by TG and DTG analyses under N2 atmosphere. The decomposition course and steps were analyzed and the activation parameters of the nonisothermal decomposition are determined. The isolated metal chelates have been screened for their antimicrobial activities and the findings have been reported and discussed in relation to their structures

Domestic-microwave-assisted one-step co-precipitation of Ag-CuO nanocomposite of Cu/Ag ratio optimized for photocatalysis and comparison with blending CuO with Ag nanoparticles

Ag-CuO metal-semiconductor nanocomposite (NC) is an important component in various nanomaterial-based applications. Several approaches have been studied to facilitate its synthesis. However, most of them encounter some drawbacks. In the present work, we show synthesis of Ag-CuO NCs through one-pot co-precipitation with the aid of simple starting chemicals and measures including metal nitrates, hexamine, Agar, and domestic microwave heating. Photocatalyzed degradation of Congo Red in addition to the structural and optical characteristics show that this method is successful in production of Schottky barrier in Ag-CuO NCs with improved photocatalytic activity (PCA). Changing Cu content shows that the NC is not successfully formed at low Cu mol%. Consequently, the PCA of Ag-CuO of low Cu (2-6%) lies within 4.5∗10-4 -5.1∗10-4 min.-1, which is even lower than those of plain Ag and CuO nanoparticles (6.0∗10-4 -8.1∗10-4 min.-1, respectively). 60 mol% was the optimum Cu content with the highest PCA (18.8∗10-4 min.-1). Blending plain Ag and CuO nanoparticles to mimic the co-precipitated 60 mol% Ag-CuO showed very low PCA, even lower than the plain Ag and CuO, which once again confirms the efficiency of the followed simple one-pot co-precipitation approach in producing Ag-CuO with Schottky barrier and promoted PCA.The accepted manuscript in pdf format is listed with the files at the bottom of this page. The presentation of the authors' names and (or) special characters in the title of the manuscript may differ slightly between what is listed on this page and what is listed in the pdf file of the accepted manuscript; that in the pdf file of the accepted manuscript is what was submitted by the author

Synthesis, characterization, DNA binding interactions, DFT calculations, and Covid-19 molecular docking of novel bioactive copper(I) complexes developed via unexpected reduction of azo-hydrazo ligands

Abstract In this work, we focused on the 3rd goal of the sustainable development plan: achieving good health and supporting well-being. Two redox-active hydrazo ligands namely, phenylcarbonohydrazonoyldicyanide (PCHD) and pyridin-4-ylcarbonohydrazonoyl-dicyanide (PyCHD), and their copper(I) complexes have been synthesized and characterized. The analytical data indicates the formation of copper(I) complexes despite starting with copper(II) perchlorate salt. The 1H-NMR and UV–visible spectral studies in DMSO revealed that PyCHD mainly exists in its azo-form, while PCHD exists in azo ↔ hydrazo equilibrium form, and confirmed the copper(I) oxidation state. XPS, spectral and electrochemistry data indicated the existence of copper(I) valence of both complexes. Cyclic voltammetry of PCHD and its copper(I) complex supported the reduction power of the ligand. The antimicrobial activity, cytotoxicity against the mammalian breast carcinoma cell line (MCF7), and DNA interaction of the compounds are investigated. All compounds showed high antimicrobial, and cytotoxic activities, relative to the standard drugs. Upon studying the wheat DNA binding, PCHD and PyCHD were found to bind through external contacts, while both [Cu(PCHD)2]ClO4.H2O and [Cu(PyCHD)2]ClO4.H2O were intercalated binding. In-silico molecular docking simulations against Estrogen Receptor Alpha Ligand Binding Domain (ID: 6CBZ) were performed on all produced compounds and confirmed the invitro experimentally best anticancer activity of [Cu(PyCHD)2]ClO4.H2O. The molecular docking tests against SARS-CoV-2 main protease (ID: 6 WTT) showed promising activity in the order of total binding energy values: [Cu(PCHD)2]ClO4.H2O > [Cu(PyCHD)2]ClO4.H2O > PCHD > PyCHD

DataSheet1_A novel terpolymer nanocomposite (carboxymethyl β-cyclodextrin–nano chitosan–glutaraldehyde) for the potential removal of a textile dye acid red 37 from water.pdf

Carboxymethyl β-cyclodextrin–nanochitosan–glutaraldehyde (CM-βCD:nChi:Glu) terpolymer was prepared as a nano-adsorbent for the removal of the anionic textile dye, acid red 37. The terpolymer nanocomposite formation and characterization were clarified by FTIR, XRD, scanning electron microscopy, TEM, Brunauer–Emmett–Teller specific surface area (BET-SSA), and zeta potential. The removal of the textile dye was investigated by using the batch adsorption method, investigating the effect of pH, dye concentration, adsorbent dose, contact time, and temperature. The results revealed that the maximum removal efficiency of 102.2 mg/L of the dye is about 99.67% under pH 6.0, the optimal contact time is 5 min, and the adsorbent dosage is 0.5 g/L. At 29°C; the adsorption capacity increased from 81.29 to 332.60 mg/g when the initial concentration of the dye was increased from 40.97 to 212.20 mg/L. Adsorption kinetics fitted well with the pseudo–second-order model with a good correlation (R2 = 0.9998). The Langmuir isotherm model can best describe the adsorption isotherm model. Based on the experimental results, the CM-βCD:nChi:Glu terpolymer has a promising potential as an efficient novel adsorbent for the removal of textile dye acid red 37 from contaminated water. This study’s preparation techniques and demonstrated mechanisms offer valuable insights into the adsorbent–adsorbate interactions mechanism, analysis, challenges, and future directions of beta-cyclodextrin/chitosan–based adsorbents in wastewater treatment.</p

A novel Corchorus olitorius-derived biochar/Bi12O17Cl2 photocatalyst for decontamination of antibiotic wastewater containing tetracycline under natural visible light

Abstract Herein, a novel composite of Corchorus olitorius-derived biochar and Bi12O17Cl2 was fabricated and utilized for the degradation of tetracycline (TC) in a solar photo-oxidation reactor. The morphology, chemical composition, and interaction between the composite components were studied using various analyses. The biochar showed a TC removal of 52.7% and COD mineralization of 59.6% using 150 mg/L of the biochar at a pH of 4.7 ± 0.5, initial TC concentration of 163 mg/L, and initial COD of 1244 mg/L. The degradation efficiency of TC increased to 63% and the mineralization ratio to 64.7% using 150 mg/L of bare Bi12O17Cl2 at a pH of 4.7 ± 0.5, initial TC concentration of 178 mg/L, and COD of 1034 mg/L. In the case of biochar/Bi12O17Cl2 composite, the degradation efficiency of TC and COD mineralization ratio improved to 85.8% and 77.7% due to the potential of biochar to accept electrons which retarded the recombination of electrons and holes. The synthesized composite exhibited high stability over four succeeding cycles. According to the generated intermediates, TC could be degraded to caprylic acid and pentanedioic acid via the frequent attack by the reactive species. The prepared composite is a promising photocatalyst and can be applied in large-scale systems due to its high degradation and mineralization performance in a short time besides its low cost and stability