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Fly ash (FA) is a waste product generated in huge amounts by coal-fired electric and steam-generating plants. As a result, the use of FA alone or in conjunction with other materials is an intriguing study topic worth exploring. Herein, we used FA waste in conjunction with titanium oxide (TiO2) to create (FA-TiO2) nanocomposites. For the first time, a cathodic polarization pre-treatment regime was applied to such nanocomposites to efficiently produce hydrogen from an alkaline solution. The FA-TiO2 hybrid nanocomposites were prepared by a straightforward solvothermal approach in which the FA raw material was mixed with titanium precursor in dimethyl sulfoxide (DMSO) and refluxed during a given time. The obtained FA-TiO2 hybrid nanocomposites were fully characterized using various tools and displayed a cenosphere-like shape. The synthesized materials were tested as electrocatalysts for the hydrogen evolution reaction (HER) in 0.1 M KOH solution in the dark, employing various electrochemical techniques. The as-prepared (unactivated) FA-TiO2 exhibited a considerable HER electrocatalytic activity, with an onset potential (EHER) value of −144 mV vs. RHE, a Tafel slope (−bc) value of 124 mV dec−1 and an exchange current density (jo) of ~0.07 mA cm−2. The FA-TiO2′s HER catalytic performance was significantly enhanced upon cathodic activation (24 h of chronoamperometry measurements performed at a high cathodic potential of −1.0 V vs. RHE). The cathodically activated FA-TiO2 recorded HER electrochemical kinetic parameters of EHER = −28 mV, −bc = 115 mV dec−1, jo = 0.65 mA cm−2, and an overpotential η10 = 125 mV to yield a current density of 10 mA cm−2. Such parameters were comparable to those measured here for the commercial Pt/C under the same experimental conditions (EHER = −10 mV, −bc = 113 mV dec−1, jo = 0.88 mA cm−2, η10 = 110 mV), as well as to the most active electrocatalysts for H2 generation from aqueous alkaline electrolytes.

Environmental pollution and various bacterial strains cause severe health problems. Thus a need exists to synthesize new materials and develop new techniques which can be used against these hazardous pathogens and components. In this research work, sustainable and effective Co/ZnO nanocomposites were prepared via a new hydrothermal technique and ammonia evaporation method. The synthesized nanomaterial was analytically characterized through various techniques such as X-ray diffraction (XRD), UV-vis spectroscopy, Scanning electron microscope (SEM), High transmission electron microscopy (HRTEM), Fourier transform infrared spectroscopy (FTIR), Energy-dispersive X-ray spectroscopy (EDX) and X-ray photoelectron spectroscopy (XPS). The as prepared nanocomposite was tested for photodegradation of methylene blue (MB). This test was performed both in visible light and in dark condition. The results demonstrate that the said material is more efficient in light compared to dark conditions and decomposed more than 80% MB dye only in 60 min. The synthesized nanomaterial Co/ZnO was also tested against highly drug resistant bacteria Escherichia coli and Staphylococcus aureus both in light and dark. Hence, the antibacterial assessment indicates the zone of inhibition in visible light of Co/ZnO counter with Escherichia coli is 15 (±0.2) and for Staphylococcus aureus is 18 (±0.4) mm and in dark for Escherichia coli is 11 (±0.6) and for Staphylococcus aureus is 14 (±0.1) mm. Moreover, the detail mechanism, reactive oxygen species production and bacterial surface damage were also observed. We demonstrate that Co/ZnO nanomaterial is stable, eco-friendly photocatalyst shows high strength against MB degradation and also shows strong inhibition effect against pathogens in visible light.

Using the Taguchi Grey response surface approach, this study investigates the effect of novel ultrasonic-aided stir casting conditions on the production of AA6061/zirconia nanocomposites. A Taguchi L16 orthogonal array was utilized to conduct the researches, which included ultrasonic power (1.75-2.5 kW), time (5-20 min), temperature (750-900°C), which can cause premature solidification, stir pressure (100-250 MPa), and reinforcement weight percentage (wt% of reinforcement). Ultrasonic-aided stir casting technique has five adjustable parameters (2-5). The ultimate tensile strength, elongation percentage, hardness, and size of the grain material were some of the metrics used to evaluate the process performance. It was decided to employ the response surface approach to model and optimize the numerous replies into one grey relational analysis. AA6061/zirconia nanocomposites were studied using statistical methods such as 3D surface plots and variance analysis. 2.2537 kW, 16.28 min ultrasonic duration, weight % of reinforcement of 1.9, stirring temperature of 700.73°C, and stirring pressure of 142.63 MPa were found to be the best parameter values.

The wear behaviour of hot pressed AA 2618 aluminium alloy matrix composites reinforced through nano Si3N4 elements (1 percent and 2 percent) has been investigated in this paper. Temperatures of 50°C, 150°C, and 250°C were used to examine the tribological characteristics of the models under a range of loads and pressures. The best wear performance was found in AA 2618/2wt percent Si3N4. Under a load of 30 N and temperature of 250°C, it was discovered that Si3N4-enriched AA 2618 alloy was 35.7% more wear-resistant than unreinforced AA 2618 alloy. Metal flow and plain delamination were the most common wear mechanisms at higher temperatures. Delamination is the most common wear mechanism at temperatures between 50 and 250 degrees Celsius. In the analysis of variance, the wear rate was influenced by temperature, load, and the presence of Si3N4 by 47.2%. In order to predict the wear rate, regression equations (linear and nonlinear) were developed by Taguchi method. Using a high determination coefficient, the nonlinear regression was the preeminent success rate (92.8 percent).

Ondansetron tablets that are directly compressed using crospovidone and croscarmellose as a synthetic super disintegrant are the subject of this investigation. A central composite, response surface, randomly quadratic, nonblock (version 13.0.9.0) 32 factorial design is used to optimize the formulation (two-factor three-level). To make things even more complicated, nine different formulation batches (designated as F1–F9) were created. There were three levels of crospovidone and croscarmellose (+1, 0, -1). In addition to that, pre- and postcompressional parameters were evaluated, and all evaluated parameters were found to be within acceptable range. Among all postcompressional parameter dispersion and disintegration time, in vitro drug release experiments (to quantify the amount of medication released from the tablet) and their percentage prediction error were shown to have a significant influence on three dependent variables. Various pre- and postcompression characteristics of each active component were tested in vitro. Bulk density, tap density, angle of repose, Carr’s index, and the Hausner ratio were all included in this analysis, as were many others. This tablet’s hardness and friability were also assessed along with its dimension and weight variations. Additional stability studies may be conducted using the best batch of the product. For this study, we utilised the Design-Expert software to select the formulation F6, which had dispersion times of 17.67 ± 0.03 seconds, disintegration times of 120.12 ± 0.55 seconds, and percentage drug release measurements of 99.25 ± 0.36 within 30 minutes. Predicted values and experimental data had a strong correlation. Fast dissolving pills of ondansetron hydrochloride may be created by compressing the tablets directly.

It has been demonstrated that most of the various derivatives of benzimidazole have distinct biological activity that gives clear promises to treat many different diseases, and for this wonderful reason, all the different new formulations based on benzimidazole remain of high concentration of interest to most scientists interested in the pharmacological fields. In this review article, we focused on mentioning many different derivatives of benzimidazole and studying its biological activities for humans and animals alike. In addition, in this reference article we have also focused on the more active benzimidazole derivatives that have shown significant pharmacological effect among patients.

Since the green revolution, excessive utilization of chemical fertilizers has become prevalent due to concerns about the integrity of food production for the growing population. This indiscriminate use harms the fertility of the soil, especially in sandy soils where nutrient leaching, particularly nitrogen, results in yield losses as well as environmental and health problems. A pot experiment was carried out at Gomal University, Pakistan, in March 2022 to assess the nitrogen use efficiency, nitrogen uptake, and yield of okra. There were nine treatments with four replicates and the treatment combinations were established using a completely randomized design (CRD). Urea coated with agrotain (urease inhibitor) was applied each at 120 and 84 kg N ha

Continuous exposure to sodium fluoride (NaF) imbalances the oxidative status in the body. The current study investigated the effect of the selenium/chitosan-folic (Se/chitosan-folic acid) novel metal complex on oxidative injury and tissue damage in the hepatic tissues of male rats exposed to (NaF). Male rats received NaF (10.3 mg/kg) and Se/chitosan-folic acid (0.5 mg/Kg) orally for successive 30 days. Male rats exposed to NaF showed multi-histopathological alterations in the hepatic tissues including degenerative changes. NaF exposure elevated hepatic oxidative stress markers, lipid peroxidation, and lowered the antioxidant defense enzymes. Se/chitosan-folic acid novel complex supplementation significantly prevented hepatic injury, suppressed reactive oxygen species (ROS) generation and lipid peroxidation, and enhanced the antioxidant defense enzymes. In addition, Se/chitosan-folic acid supplementation improved the hepatic tissues of NaF-exposed male rats. In conclusion, the Se/chitosan-folic acid novel metal complex protects against NaF-induced oxidative injury and tissue injury in the hepatic tissues of male rats. The Se/chitosan-folic acid novel metal complex upregulated the hepatic tissues and enhanced the antioxidant defense enzymes in male rats.

Creatinine biomolecule has three different coordination modes through the (exocyclic O(5) and ring N(1)), (imine N(2) and ring N(1)) or as monodentate ligand via exocyclic O(1)). The FTIR and electronic spectra of the synthesized manganese(II), iron(III), chromium(III), and cobalt(II) complexes consistent with the coordinated behavioral derived from the structural analyses. Thermogravimetric data agree with the stoichiometry and proposed formulas [Mn(C4H7N3O)2(Cl)2]4H2O, [Fe(C4H7N3O)2(Cl)2]Cl.6H2O, [Cr(C4H7N3O)2(Cl)2]Cl.6H2O, and [Co(C4H7N3O)2(Cl)2]6H2O. Four new transition metal complexes derived from the reaction of creatinine chelate and metal salt (MnCl2.4H2O, FeCl3.6H2O, CrCl3.6H2O, and CoCl2.6H2O), were prepared with 1:2 (metal: ligand) stoichiometry, isolated and well characterized by a different spectral and analytical techniques including FTIR, UV/Vis, magnetic susceptibility, molar conductance, elemental analysis, and TGA/DrTGA/DTA. The solid complexes were formed with the binding of the creatinine ligand through exocyclic O(5) and ring N(1) and presented as an octahedral geometry. In addition molecular docking calculations have been performed between complexes of manganese(II), iron(III), chromium(III) and cobalt(II) with creatinine biomolecule ligand with the Covid-19 protease (6LU7) to determine the best binding site and its inhibitory effect. KEY WORDS: Creatinine, Coordination, Transition metals, TGA/DTA, Octahedral geometry Bull. Chem. Soc. Ethiop. 2021, 35(2), 399-412. DOI: https://dx.doi.org/10.4314/bcse.v35i2.13

The bidentate oxoacetate derivative of 4-oxo-2-thiazolidine 4ligand (L1) synthesized by the reaction of 1-(1-(Pyridin-3-yl)ethylideneamino)-2-thioxoimidazolidin-4-one 3 with diethyl oxalate with both traditional and microwave irradiation methods. The metal ion complexes of mixed ligands L1 and L2 (acetonitrile) were prepared by condensation a solution mixture of Co(II) Ni(II), and Cu(ІІ) metal chloride salts with the ligands (L1 and L2) in distilled water with stirring. The complexes were characterized by the micro analysis (C, H, N), chloride content, FT-IR, UV-Vis spectra, thermal gravimetric analysis (TGA), molar conductivity as well as magnetic susceptibility measurement. According to the obtained data the suggested coordination geometries of these complexes were suggested as octahedral structure. All the synthesized complexes were found to be electrolyte due to the presence of chloride ions outside the coordination sphere. The antibacterial activity of the L1 ligand and their metal ion complexes have been studied by screening against various microorganisms, G+ bacteria (Bacillus subtillis, Streptococcus pneumonia, and Staphyloccoccus aurease), G-bacteria (E. coli, and Pesudomonas Sp.) and fungi (Aspergillus nigaer, and Penicillium Sp.). The metal ion complexes gave the formulae: [M(L1)(L2)2(H2O)2]Cl2where M = Co(II) Ni(II), and Cu(ІІ). KEY WORDS: Imidazolidine, Microwave irradiation, Transition metals complexes, Biological activity Bull. Chem. Soc. Ethiop. 2021, 35(2), 351-364. DOI: https://dx.doi.org/10.4314/bcse.v35i2.10

Synthesis and characterizations of new Mn(II), Co(II), Ni(II), Cr(III) and Fe(III) melatonin drug complexes have been studied. The melatonin ligand act as a monodentate ligand through nitrogen of the deprotonated –NH pyrrole ring. This was confirmed by infrared spectra and microanalytical analysis. The magnetic moments data approved the complexity of Mn(II), Co(III), Ni(III) as a square planar and Cr(III), Fe(III) as an octahedral geometry, respectively. The biological activity of the melatonin free ligand is lower than that of the respected metal complexes. Thus, this indicates that the complexity is more effective than the antimicrobial activities of melatonin ligand.

Mn(II), Fe(III), Co(II) and Cu(II) Schiff base complexes with general formula ML−2 .nH2O (where M is a respected metal ions and L−2 is the Schiff base). The Schiff base (L = TSCPA) was formed by the condensation of thiosemicarbazide and phthalic anhydride in acetic acid. The microanalytical analysis confirmed the 1:1 (metal: ligand) molar ratio. Magnetic susceptibility and electronic absorption spectra were suggested that the Fe(III) and Co(II) complexes were octahedral structure but the Mn(II) and Cu(II) complexes were tetrahedral geometry. FTIR spectra reveal that the ligand exists, predominantly, as keto form in a solid state but as enol form in the alkaline medium. The coordination between TSCPA chelate and central metal ions take place through nitrogen –NH, sulphur C=S and oxygen –OH groups. Based on the molar conductance measurements the complexes may be formulated as [Mn(L)(H2O)] · 4H2O, [Fe(L)(Cl)(H2O)2] · 2H2O, [Co(L)(H2O)3] · 3H2O and [Cu(L)(H2O)] · 4H2O due to their non-electrolytic behavior. The Schiff base ligand and their metal complexes were screened in vitro against G(+Ve) and G(−Ve) bacteria. This study came after proactive step, which concerning with docking study against pathogen proteins corresponding to microorganisms for bacteria and fungi, which will be scanned in vitro study. Thermogravimetry (TGA) and differential thermogravimetry (DTG) were discussed.

This article is focused on preparation of Ni(II), Pd(II) and Ru(III) oxides in the nanoscale form from the complexes of N,N,N,N-tetradentate Schiff base with Ni(II), Pd(II) and Ru(III). The complexes have been synthesized and characterized by elemental analyses, magnetic susceptibility, molar conductivity, 1H and 13C NMR, FT-IR, UV-Vis, mass, and TG-DTG analysis. The accumulated data indicate that the central metal ion in the complexes is coordinated with four nitrogen atoms of the imino and amino groups. The complexes are characterized by a 1 : 1 metal : ligand ratio and octahedral geometry except for Pd(II) complex which has a tetradentate structure. The complexes have been used as precursors for NiO, PdO and RuO2 preparation of NPs by thermal decomposition at 600°C in the static air. Formation of the NPs is discussed in terms of FTIR, XRD, SEM, and TEM analyses data. The rate of catalytic decoloration activity of Malachite green dye under the action of metal oxides is considered. The dye has been successfully decolorized in presence of the NPs at room temperature.

This paper deals with studying the sonochemical effect for water treatment purposes from the dibenzothiophene (DBT) as polycyclic aromatic sulfur hydrocarbons, one of the most impurities found in waste water coming from petroleum industry. A comparison for the results obtained from previous studies at 20 kHz and with our results at 352 kHz has been done. The influence of organic compounds in the water matrix, as a mixture with dibenzothiophene was also evaluated. The results indicated that some competition occurs in the case of the mixture Bisphenol A/dibenzothiophene. The results presented in this work depict the study of the interesting potential of ultrasound to treat different types of water contaminated with polycyclic aromatic sulfur hydrocarbons such as dibenzothiophene and comparison for the degradation profile with benzothiophene which explained previously by us.

Morpholine is an interesting moiety that used widely in several organic syntheses. The intermolecular charge-transfer (CT) complexity associated between morpholine (Morp) donor with (monoiodobromide “IBr”, 2,3-dichloro-5,6-dicyano-1,4-benzoquinone “DDQ”, 2,6-dichloroquinone-4-chloroimide “DCQ” and 2,6-dibromoquinone-4-chloroimide “DBQ”) π–acceptors have been spectrophotometrically investigated in CHCl3 and/or MeOH solvents. The structures of the intermolecular charge-transfer (CT) were elucidated by spectroscopic methods like, infrared spectroscopy. Also, different analyses techniques such as UV-Vis and elemental analyses were performed to characterize the four morpholine [(Morp)(IBr)], [(Morp)(DDQ)], [(Morp)(DCQ)] and [(Morp)(DBQ)] CT-complexes which reveals that the stoichiometry of the reactions is 1:1. The modified Benesi-Hildebrand equation was utilized to determine the physical spectroscopic parameters such as association constant (K) and the molar extinction coefficient (ε).

Herein, the photocatalytic degradation of the Congo Red (CR) and Crystal Violet (CV) dyes in an aqueous solution were discussed in the presence of an indium(III) oxide (In2O3) as optical catalyst efficiency. The caproate bidentate indium(III) precursor complex has been synthesized and well interpreted by elemental analysis, molar conductivity, Fourier transform infrared (FT-IR), UV-Vis, and thermogravimetric (TGA) with its differential thermogravimetric (DTG) studies. The microanalytical and spectroscopic assignments suggested that the associated of mononuclear complex with 1:3 molar ratio (M3+:ligand). Octahedral structure is speculated for this parent complex of the caproate anion, CH3(CH2)4COO− ligand. The In2O3 NPs with nanoscale range within 10–20 nm was synthesized by a simple, low cost and eco-friendly method using indium(III) caproate complex. Indium oxide nanoparticles were formed after calcination of precursor in static air at 600°C for 3 hrs. The structural, grain size, morphological and decolorization efficiency of the synthesized NPs were characterized using the FT-IR, X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray analysis (EDX) and transmission electron microscopy (TEM) analyses. It was worthy mentioned that the prepared In2O3 NPs showed a good photodegradation properties against CR and CV organic dyes during 90 min.

Mixed ligand vanadyl(II) complexes of orotic acid and six different amino acids (isoleucine, threonine, proline, phenylalanine, lysine, and glutamine) have been synthesized. Vanadyl(II) orotate mixed ligand complexes are studied on the basis of conductivity, FTIR, UV-Vis, TG-DTG-DTA, magnetic moments, solid powder XRD, SEM, and TEM measurements. These non-electrolyte complexes are of 1 : 1 : 1 stochiometry. The major goal of this article is design and synthesis of new insulin alternative anti-diabetic drug. The insulin hormone and blood glucose level, lipid profile, liver and kidney functions, and superoxide dismutase antioxidant (SOD) are the factors to identify efficiency of the new synthesized compounds as antidiabetic drug agents.

Mononuclear Au(III) Schiff base complexes are synthesized by the reaction of 4-aminoantipyrine with hydrazine. The chemical structures of new Schiff bases and their Au(III) complexes are elucidated from their conductance, XRD, and spectroscopic (IR, UV-Vis, 1H, and 13C NMR) data. Au(III) Ion is coordinated with the synthesized Schiff bases via four nitrogen atoms of the antipyrine and azomethine groups. Au(III) Complexes are electrolytes with three uncoordinated Cl− ions, and have a square planar geometry. Their morphology is characterized by SEM and TEM methods. Cytotoxic effect of the complexes is tested against human breast cancer (MCF-7) and hepatocellular carcinoma (HepG-2) cell lines.

Background This study aimed to design a compound with folic acid (FAH2) and vanadyl (IV) for use in the treatment of diabetes. Materials and methods A novel vanadyl (IV) FAH2 complex was synthesized and characterized [(FA2-)(VO2+)]⋅3H2O. The speculated structure of this folate complex was determined using physicochemical techniques including microanalytical analysis, conductivity studies, spectroscopic examination, magnetic measurements, thermogravimetric analyses, and morphological X-ray powder diffraction, and scanning and transmission electron microscopies. The anti-diabetic therapeutic potential of the complexes was tested in a 30-day streptozotocin-induced diabetes rat model. Results The conductivity test of the complex implied electrolyte behavior. The spectroscopic assessments of the isolated dark yellow solid complex revealed that FAH2 acts as a bidentate ligand. The coordination process with two vanadyl (IV) ions occurred through the deprotonation of both carboxyl groups of FAH2 in a regular square pyramid arrangement at a 2(FA)2-: 2(VO)2+ molar ratio. XRD, SEM, and TEM analyses revealed the complex crystalline nature of the complex. Treating diabetic rats with vanadyl (IV) FAH2 complex significantly improved many biological parameters relevant to diabetes pathology with minimal toxicity. Conclusion The data generated in this study indicate that the synthesized vanadyl (IV) folate complex acts as a model of anti-diabetic agent.

In this paper, two new complexes of selenium caffeine, [Se(Caf)4], and zinc α-tocopherol, [Zn(α-Tpl)2(NO3)2], are synthesized. The structures of complexes are characterized by IR, Raman and 1H NMR spectra, scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray powder diffraction (XRD), and thermogravimetric (TG/DTG) analysis. According to conductivity measurements the complexes are non-electrolytes. Spectroscopic studies of Se0 caffeine complex indicate its monodentate coordination via nitrogen atom N9 at 1: 4 molar ratio metal-to-ligand. In [Zn(α-Tpl)2(NO3)2], α-Tpl chelate is coordinated as a monodentate ligand via oxygen atom of the hydroxyl group with 1: 2 metal-to-ligand molar ratio. The percentage scavenging activity of hydroxyl radical (IC50 = 0.21 and 0.32 µg/mL), DPPH (0.17 and 0.30 µg/mL) and superoxide anion scavenging activity (0.18 and 0.32 µg/mL) indicate that selenocaffeine complex is of higher potential antioxidant activity than zinc(II) α-tocopherol complex.

The removal of refractory pollutants, i.e., methylene blue (MB) and ciprofloxacin (CIP), relies heavily on sorption technologies to address global demands for ongoing access to clean water. Because of the poor adsorbent–pollutant contact, traditional sorption procedures are inefficient. To accomplish this, a wheat husk biochar (WHB), loaded with cinnamic acid, was created using a simple intercalation approach to collect dangerous organic pollutants from an aqueous solution. Batch experiments, detecting technologies, and density functional theory (DFT) calculations were used to investigate the interactions at the wheat husk biochar modified with cinnamic acid (WHB/CA) and water interface to learn more about the removal mechanisms. With MB (96.52%) and CIP (94.03%), the functionalized WHB exhibited outstanding adsorption capabilities, with model fitting results revealing that the adsorption process was chemisorption and monolayer contact. Furthermore, DFT studies were performed to evaluate the interfacial interaction between MB and CIP with the WHB/CA surface. The orbital interaction diagram provided a visual representation of the interaction mechanism. These findings open up a new avenue for researchers to better understand adsorption behavior for the utilization of WHB on an industrial scale.

Globally, environmental pollution is an important issue. Various pollutants present in water resources, such as bacteria, heavy-metal ions, and organic pollutants, cause serious problems to the environment, animals, plants, and human health. Among the water resources, pollutants, dyestuff, which is discharged from dyeing, textile, and other industrial processes, is an important class of pollutants. Removing these dye pollutants from water resources and wastewater is vital and important due to their toxicity. In this work, a CrFeO3-carbon nanotube (CNT) adsorbent was synthesized using environmentally friendly methods. The synthesized CrFeO3-CNT adsorbent was characterized stoichiometrically, spectroscopically, and morphologically. The synthesized CrFeO3-CNT adsorbent was tested for the removal of two dyes: Methyl violet 2B (MV) and Azocarmine G2 (AC) from an aqueous solution. Crushing CrFeO3 composite with multi-walled fullerene CNT to prepare CrFeO3-CNT adsorbent improved the adsorption performance of free multi-walled fullerene CNT towards MV dye by 30% and towards AC dye by 33.3%.

Magnesium(II), calcium(II), chromium(III), zinc(II), copper(II), and selenium(IV) sitagliptin (STG) complexes—with the general formulas [Mg(STG)2(Cl)2]·6H2O, [Ca(STG)2(Cl)2], [Cr(STG)2(Cl)2]Cl.6H2O, [Zn(STG)2(Cl)2], [Cu(STG)2(Cl)2]·2H2O, and [Se(STG)2(Cl)2]Cl2, respectively—were designed and synthesized by the chemical reactions between metal(II, III, and IV) chloride salts with an STG ligand in situ methanol solvent in a 1:2 stoichiometric ratio (metal:ligand). Tentative structures of the complexes were proposed based on elemental analysis, molar conductance, magnetic moments, thermogravimetric analysis, and spectral (infrared, electronic, and 1H NMR) data. The particle size and morphological investigation were checked on the bases of scanning electron microscopy, transmission electron microscopy, and X-ray powder diffraction analyses. All the Mg2+, Ca2+, Cr3+, Zn2+, Cu2+, and Se4+ complexes were found to be six-coordinated, wherein the STG ligands act as bidentate chelating agents. This study demonstrates that pancreatic tissues are affected by the induction of experimental diabetes mellitus and clarifies the potential of the synthesized STG complexes, which was found to more significantly improve insulin secretion and the pancreatic and glycometabolic complications of diabetic rats than STG alone.

C10H8BrN3, orthorhombic, Pbca (no. 61), a = 7.214(3) Å, b = 12.735(6) Å, c = 21.305(9) Å, V = 1957.3(15) Å3, Z = 8, R gt (F) = 0.0353, wR ref (F 2) = 0.0808, T = 293 K.

This article is related to a research paper entitled "Exploring the charge-transfer chemistry of fluorine-containing pyrazolin-5-ones: The complexation of 1-methyl-3-trifluoromethyl-2-pyrazoline-5-one with five π-acceptors" [J. Mol. Liq. 331 (2021) 115814] [1]. Herein we present photographic data that showed the color change after mixing methanolic solutions of 1-methyl-3-trifluoromethyl-2-pyrazoline-5-one (donor) with each of the investigated π-acceptor [picric acid (PA), chloranilic acid (CLA), fluoranil (TFQ), DDQ, and TCNQ]. Stoichiometry data for the interaction of the donor with all acceptors determined in solution state by the spectrophotometric titration method and the Job's continuous variation method were presented. The data presented are useful for understand that the charge-transfer (CT) complexation between a donor and an acceptor, generally, is characterized by a strong color change, and to understand the stoichiometry between these molecules.

C11H9C12N5Zn, monoclinic, C2/c (no. 15), a = 10.256(3) Å, b = 17.110(5) Å, c = 7.967(3) Å, β = 104.361(4)°, V = 1354.36 Å3, Z = 4, R gt (F) = 0.0270, wR ref(F 2) = 0.0659, T = 293 K.

This study aimed to synthesize quinolinone derivatives and investigate their cytotoxic activity. The compound 1-azacoumarin-3-carboxylic acid (2-oxo-1H-quinoline-3-carboxylic acid) was obtained via the cyclocondensation of 2-hydroxybenzaldehyde with diethyl malonate in base catalyst to give ethyl coumarin-3-carboxylate, followed by the ammonolysis of ester (ethyl coumarin-3-carboxylate) with ammonia in the presence of anhydrous potassium carbonate. Treatment of 2-oxo-1H-quinoline-3-carboxylic acid with acetic anhydride, cinnamaldehyde, cinnamic acid and methyl 5-phenyl-2-cyano-2,4-pentadienoate under different conditions led to the formation of 1 (substituted) aza coumarin-3-carboxylic acids (1-N-(acetyl)-azacoumarin-3-carboxylic acid, 1-N-(2-Formyl-1-phenyl) vinyl-azacoumarin-3-carboxylic acids, 1-N-[2-(Hydroxy) carbonyl-1-(Phenyl) vinyl]-azacoumarin-3-carboxylic acid and 1-N-(4-Cyano-5-methoxy-5-oxo-1-Phenylpenta-1,3-diene-1-y)-azacoumarin-3-carboxylic 284 acid), respectively. The structures of synthesized 1-(substituted) azacoumarin-3-carboxylic acids were confirmed based on spectroscopic methods (IR and NMR), along with elemental analyses. Interestingly compound 6 demonstrated probable impacts as an anti-cancer drug against the MCF-7 cell line. The mechanism of action was assessed using a flow cytometric assay. The outcomes revealed that compound 6 could arrest the cell cycle at G2/M phase and pre-G1 apoptosis.

Applications of medicinal uses of metals and their complexes have been gaining major clinical significance, especially during the COVID-19 pandemic. The ligation behavior of quercetin (Q), a flavonoid, and Zn metal, i.e., the Zn/Q complex, was fully characterized based on molar conductance, infrared (IR) spectra, elemental analysis, electronic spectra, thermogravimetric analysis, proton nuclear magnetic resonance (1H-NMR), and transmission electron microscopy (TEM) in our lab. Hepatotoxicity was induced by cadmium (CdCl2). A total of 40 male albino rats were randomly distributed into the following four groups: Control, hepatotoxic group (CdCl2), Zn/Q-treated group, and group treated with a combination of CdCl2 and Zn/Q. Serum hepatic enzymes (AST, ALT, and LDH), total protein, and enzymatic and nonenzymatic antioxidant levels were determined. Histology and TEM for hepatic tissues, in addition to the gene expression of SOD as an antioxidant enzyme in the hepatic tissues, were evaluated. The Q/Zn treatment demonstrated potent protective effects against CdCl2-induced sever oxidative stress and suppressed hepatic toxicity, genotoxicity, liver enzyme disturbances, and structural alterations. In conclusion, the Zn/Q complex produced a high potent antioxidant effect against the oxidative injury and genotoxicity induced by CdCl2 and could be considered to be a potent ameliorative hepatoprotective agent against CdCl2 hepatotoxicity, which could be beneficial during the COVID-19 pandemic.

This data article is related to a research paper entitled ``Correlations between spectroscopic data for charge-transfer complexes of two artificial sweeteners, aspartame and neotame, generated with several π-acceptors'' [J. Mol. Liq. 333 (2021) 115904] [1]. Herein we present stoichiometric data of charge-transfer (CT) complexes generated from the interaction between aspartame and neotame with three π-acceptors in methanol solvent at room temperature. The investigated π-acceptors were picric acid (PA), chloranilic acid (CA), and 2,3-dichloro-5,6-dicyano-p-benzoquinone (DDQ), where the methods used to determine the stoichiometry of the CT interaction were the spectrophotometric titration method and the Job's continuous variation method.

Finding a vaccine or cure for the coronavirus disease (COVID-19) responsible for the worldwide pandemic and its economic, medical, and psychological burdens is one of the most pressing issues presently facing the global community. One of the current treatment protocols involves the antibiotic azithromycin (AZM) alone or in combination with other compounds. Obtaining additional insight into the charge-transfer (CT) chemistry of this antibiotic could help researchers and clinicians to improve such treatment protocols. Toward this aim, we investigated the CT interactions between AZM and three π-acceptors: picric acid (PA), chloranilic acid (CLA), and chloranil (CHL) in MeOH solvent. AZM formed colored products at a 1:1 stoichiometry with the acceptors through intermolecular hydrogen bonding. An n → π* interaction was also proposed for the AZM-CHL CT product. The synthesized CT products had markedly different morphologies from the free reactants, exhibiting a semi-crystalline structure composed of spherical particles with diameters ranging from 50 to 90 nm., Graphical abstract Unlabelled Image, Highlights • Drug azithromycin is currently used in the treatment protocols of COVID-19. • Exploring CT chemistry of this drug may be useful to improve such protocols. • This drug was complexed with PA, CLA, and CHL π-acceptors. • CT products were spectroscopically and morphologically characterized. • Several spectroscopic parameters were evaluated.

The solid adducts of SnCl2.(3amt).H2O, SnCl2.2(3amt).H2O, CdCl2.(3amt), CdCl2.2(3amt), SnCl2.(2mct).0.5H2O, SnCl2.2(2mct), CdCl2.(2mct), CdCl2.2(2mct).H2O, SnCl2.(2mcp).1.5H2O, >2.2(2mcp).4H2O, CdCl2.(2mcp), CdCl2.2(2mcp), SnCl2.(4amt).4H2O, SnCl2.2(4amt).1.5H2O, CdCl2.(4amt).H2O, and CdCl2.2(4amt) (where the 3amt, 4amt, 2mct, and 2mcp represent 3-amino-1,2,4-triazole, 4-amino-1,2,4-triazole, 2-mercaptothiazoline, and 2-mercaptopyridine simple organic chelates, respectively) were prepared using a solid-state route and investigated by CHN elemental analysis and infrared spectroscopy. Additionally, we investigated the thermogravimetric characterization and antimicrobial proprieties. It is verified that for 3amt and 4amt adducts, the coordination occurs through nitrogen atom. For 2mct compounds, the coordination occurs through nitrogen (Sn) or sulfur (Cd). For 2mcp adducts, both coordination sites nitrogen and sulfur are involved. By examination of TG curves, it is confirmed that for each hydrated compounds, the first mass loss step is linked with the release of water molecules followed by the release of ligand molecules and sublimation of the metal chloride. Furthermore, it is verified that, considering only the release of ligand molecules (3amp, 4amp, 2mct, or 2mcp), the cadmium adducts are always more stable than the correspondent tin adducts probably due to the formation of cross-linking bonds in these compounds. Finally, of these 16 adducts, 14 showed antimicrobial activities against different bacterial and fungal strains.