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

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

Spectroscopy 15 (2001) 33-44 33 IOS Press Vibrational spectroscopic studies of hydrogen-bonded complexes between 2,5-dihydroxy-P-benzoquinone and amines

Abstract. A series of 1 : 1 hydrogen-bonded complexes between 2,5-dihydroxy-P-benzoquinone (DHBQ) and various nitrogen bases of different strengths were prepared. The FT-IR spectra of the prepared complexes were examined in different regions. It has been found that the protonic and carbonyl vibrations are strongly affected by protonation. The intensity of protonic vibrations was estimated, the base line was corrected by using Perkin-Elmer Paragon 1000 program. A maximum was found at pKa = 5.6 in the correlation between the intensity and pKa (amines) suggesting a critical behavior. The same value was located as a deep minimum in the correlation between the center of gravity of the protonic vibrations, vcg cm −1 , and the pKa of the amines confirming the critical behavior in some of the studied complexes. The effect of the contribution of the second OH group to the IR absorption profile was discussed. Finally, the FT-IR spectra of some deuterated complexes were presented and analysed

Magnetite/graphene oxide nano-composite for enhancement of hydrogen production from gelatinaceous wastewater

International audienceThe effect of substrate to inoculum (So/Xo) ratio and supplementation of magnetite/graphene oxide (MGO) nano-composite material on hydrogen production from gelatinaceous wastewater via dark fermentation process was investigated. Results demonstrated that optimum So/Xo ratio of 1.0 gCOD/gVSS achieved maximal hydrogen yield (HY) of 79.2 ± 11.9 mL H2/gCOD removed. Supplementation of anaerobes with 100 mg/L MGO promoted HY up to 112.4 ± 10.5 mL H2/gCOD removed. Moreover, the degradation efficiency of carbohydrates, proteins and lipids was improved to 80.8 ± 7.6, 34.4 ± 2.3 and 31.4 ± 2.2%, respectively. Acetate (HAc) and butyrate (HBu) concentrations increased from 102 ± 6.8 to 125.3 ± 6.3 and from 31.1 ± 1.5 to 48.8 ± 3.5 mg/gVSS, respectively. However, propionate (HPr) concentration dropped from 35.9 ± 2.7 to 15 ± 1.3 mg/gVSS. Hydrogenase enzyme activity increased 9-folds and the anaerobes elongated from ca. 1.8-2.9 to ca. 2.5-5.1 ?m with MGO addition. Moreover, Proteobacteria, Firmicutes, Clostridia and Bacilli were detected with the batches supplemented with MGO. © 2016 Elsevier Ltd

Preparation and Characterization of Chitosan Nanofiber: Kinetic Studies and Enhancement of Insulin Delivery System

Insulin-loaded nanofibers were prepared using chitosan as a natural polymer. The loaded insulin with polyethylene oxide was used for preparing monolayer batch S1. Nanofiber S1 was coated by seven layers of film on both sides to form batch S2 as a sandwich containing Layer A (CS, PEG and PEO) and Layer B (PEG and PEO) using electrospinning apparatus. SEM, TEM and FT-IR techniques were used to confirm the drug loading within the composite nanofibers. The in vitro activity that provided a sustained and controlled release of the drug from the nanofiber batch was studied at different pH values spectrophotometrically using a dialysis method. In batches S1 and S2, the release of insulin from nanofiber proceeds via burst release necessary to produce the desired therapeutic activity, followed by slow step. The rate and the percentage release of insulin in batch S2 are found to be higher at all pH values

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

DataSheet1_Efficient removal of bovine serum albumin from water by cellulose acetate membranes modified with clay and titania nano particles.PDF

Modified cellulose acetate membranes with bentonite clay (CA/bent) and TiO2 nanoparticles (CA/TiO2) using the phase inversion method are successfully prepared and characterized. These Membranes are favored due to their high salt rejection properties and recyclability. The IR and EDX spectral data indicate the formation of modified membranes. The Scan Electron Microscope micrographs show that the modified membranes have smaller particle sizes with higher porosity than the neat membrane. The average pore diameter is 0.31 µm for neat cellulose acetate membrane (CA) and decreases to 0.1 µm for CA/0.05bent. All modified membranes exhibit tensile strengths and elongation percentages more than the neat membrane. The higher tensile strength and the maximum elongation% are 15.3 N/cm2 and 11.78%, respectively, for CA/0.05bent. The thermogravimetric analysis of modified membranes shows higher thermal stability than the neat membrane. The modified membranes exhibit enhanced wettability and hydrophilicity compared with cellulose acetate, by measuring the contact angle which decreases from 60° (CA) to 40° (CA/0.1bent). The ultrafiltration tests indicated that the CA/bent and CA/TiO2 are better than CA. The most efficient nanocomposite membrane is CA/0.05bent with 100% removal of (BSA) from industrial water with a flux equal to 9.5 mL/min under an applied pressure of 20 bar. Thus, this study introduces a novel ultrafiltration membrane (CA/0.05bent) that can be used effectively to completely remove bovine serum albumin from contaminated water.</p