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Slow kinetics and emotive design of electrocatalysts are the main barriers to effective oxygen evolution and hydrogen production from water. To overcome these challenges, nickel sulfide impregnated electrocatalysts with auxiliary structural features have recently attracted attention as effective alternatives for the oxygen evolution reaction (OER). Herein, nickel sulfide (NiS) nanowires are developed directly on nickel foam (NF), which have proven to be a highly efficient electrocatalyst for OER in an alkaline medium. For this, NiS nanowires were grown on NF for short intervals of 30, 60, 90 and 120 min through an aerosol-assisted chemical vapor deposition (AACVD) process using nickel diethyldithiocarbamate as a precursor. The as-developed NiS electrode showed excellent OER activity in 1.0 M KOH solution. It is noteworthy that the NiS electrode produced after 90 min provides a reference current density of 10 mA cm−2 at an overpotential (η) of 210 mV and achieves a higher current density of 500 mA cm−2 at an overpotential of 340 mV. Moreover, the nanocatalyst has observed a low Tafel value (60 mV dec−1) and good OER stability. After the electrolysis, it was found that the surface of the NiS catalyst was partially modified into nickel oxide. The S atom in the NiS catalyst can provide an activator function that first converts the sulfide to a hydroxide and then eventually becomes an oxyhydroxide species. The more active nickel hydroxide/oxyhydroxide phase raises the water oxidation performance to a new level. The facile synthesis of NiS nanowire films by AACVD tends to be used as an anodic material in various other power generation and energy conversion devices such as batteries, fuel cells, and supercapacitors.

In the scope of the rapid technological advancements, nanoparticles (NPs) have gained prominence due to their excellent and tunable biological, and physicochemical properties. Nowadays, different methods are used for their synthesis. In particular, the green synthesis of metal precursors for the synthesis of NPs, represents a cost-effective, environmentally friendly, and hazardous chemical-free method for developing a large variety of NPs. By exploiting plant extracts, the production rate of NPs is relatively faster. Due to fossil reserves and high fuel consumption, renewable and clean energy materials are urgently needed to improve environmental sustainability. With outstanding electrochemical and physicochemical characteristics, molybdenum-based NPs (Mo-NPs) are gaining increasing attention in the fields of energy conversion and storage. Considering the significance of Mo-NPs synthesized from greener routes and their energy applications, it is necessary to review recent trends and developments in this field. This review summarizes important research studies and future research guidelines for the preparation of Mo-NPs through green routes and their applications to meet global energy and environmental demands. Moreover, future research directions are also highlighted to achieve sustainable greener precursors and Mo-NPs based energy storage devices.

During the present investigation, two new sulfonamide-based Schiff base ligands, 4-{[(2-hydroxy-3-methoxyphenyl)methylidene]amino}-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide (L1) and 4-{[1-(2-hydroxyphenyl)ethylidene]amino}-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide (L2), have been synthesized and coordinated with the transition metals (V, Fe, Co, Ni, Cu and Zn). The ligands were characterized by their physical (color, melting point, yield and solubility), spectral (UV–Vis, FT-IR, LC–MS, 1H NMR and 13C NMR) and elemental data. The structures of the metal complexes (1)–(12) were evaluated through their physical (magnetic and conductance), spectral (UV–Vis, FT-IR and LC–MS) and elemental data. The molecular geometries of ligands and their selected metal complexes were optimized at their ground state energies by B3LYP level of density functional theory (DFT) utilizing 6-311+G (d, p) and LanL2DZ basis set. The first principle study has been discussed for the electronic properties, the molecular electrostatic possibilities as well as the quantum chemical identifiers. An obvious transition of intramolecular charge had been ascertained from the occupied to the unoccupied molecular orbitals. The UV–Vis analysis was performed through time-dependent density functional theory (TD-DFT) by CAM-B3LYP/6-311+G (d, p) function. The in vitro antimicrobial activity was studied against two fungal (Aspergillus niger and Aspergillus flavus) and four bacterial (Staphylococcus aureus, Klebsiela pneumoniae, Escherichia coli and Bacillus subtilis) species. The antioxidant activity was executed as antiradical DPPH scavenging activity (%), total iron reducing power (%) and total phenolic contents (mg GAE g−1). Additionally, enzyme inhibition activity was done against four enzymes (Protease, α-Amylase, Acetylcholinesterase and Butyrylcholinesterase). All the synthetic products exhibited significant bioactivity which were found to enhance upon chelation due to phenomenon of charge transfer from metal to ligand.

Biologically active triazole Schiff base ligand 2,4-dichloro-6-[(1H-1,2,4-triazol-3-ylimino)methyl]phenol (A) has been synthesized by the condensation reaction of an equimolar amount of 1H-1,2,4-triazole-3-amine and 3,5-dichlorosalicylaldehyde and then it coordinated with salts of metals [VO(IV), Fe(II), Co(II), Ni(II), Cu(II) and Zn(II)] in 2:1 molar ratio to derive a series of transition metal chelates (1)-(6). All the compounds were characterized by various physical, spectral, analytical techniques and elemental analysis. Spectral characterization and magnetic moment data of complexes revealed square pyramidal geometry for vanadium complex and octahedral for remaining (2)-(6) complexes. Quantum chemical calculation has been carried out to explore optimized geometry and electronic structure of the ligand. Density functional theory (DFT) with B3LYP/6-311+g(d,p) method was performed to determine vibrational bands, frontier molecular orbitals (FMOs) and natural bond analysis (NBO) of the ligand. NBO analysis showed that the ligand bears higher molecular stability because of hyper conjugate interactions. Computational study results revealed that there was a close interaction of theoretical and experimental spectroscopic data. Global reactivity descriptors calculated by the energies of FMOs, indicated ligand to be bioactive. The synthesized compounds were studied for antibacterial, antifungal, antioxidant and antiglycation activity and the results revealed that ligand has remarkable activity which considerably increased upon chelation. KEY WORDS: Triazole ligand, Transition metal chelates, Antibacterial, Antifungal, Antioxidant, Computational study Bull. Chem. Soc. Ethiop. 2020, 34(2), 335-351 DOI: https://dx.doi.org/10.4314/bcse.v34i2.11

In the present investigation, brown clay (BC) was modified with didodecyldimethylammonium bromide (DDAB) to produce a sorbent (DDAB-BC), which was characterized and applied for sorption of methylene blue (MB) from aqueous media. BC was functionalized using DDAB by cation exchange of the DDAB moiety with positive ions existing inside the interlayer spaces of the BC. X-ray diffraction (XRD) studies confirmed that the d-spacing of DDAB-BC became wider (3.39 A) than that of BC (3.33 A). Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM) were exploited to explore the functional groups and morphological structure of sorbents, respectively. The Brunauer-Emmett-Teller (BET) surface area, pore volume, and pore diameter of DDAB-BC were determined as 124.6841 m2/g, 0.316780 cm3/g, and 8.75102 nm, respectively. Batch sorption investigations were carried out to determine the optimum experimental conditions, using the one-factor one-time procedure. The sorption of MB on DDAB-BC strongly obeyed the Langmuir isotherm and agreed well with pseudo-second-order kinetics. Sorption of MB onto DDAB-BC showed maximum efficiency (∼98%) and maximum sorption capacity (∼164 mg/g) at optimal values of pertinent factors: dye concentration (100 mg/L), pH (7), and temperature (55 °C). Sorption isothermal studies predicted that removal of MB on DDAB-BC follows multilayer sorption at higher MB dye concentrations and monolayer sorption at lower MB dye concentrations.

Department of Chemistry, Institute of Natural Sciences, University of Gujrat, Gujrat 50700, Pakistan The surfactant assisted co-precipitation method has been used to synthesize the Co2+ and Ni2+ substituted magnesium nanoferrites. The Co2+ and Ni2+ ions substitute the Mg2+ and Fe3+ ions from the magnesium ferrites, respectively. To study the effect of substituted ion concentrations on the dielectric performance of the MgFe2O4 spinel ferrites. The substituted magnesium nanoferrites with the compositions Mg1-x Cox NiyFe2-yO4 (x, y = 0.0, 0.1, 0.2, 0.3, 0.4, and 0.5) were synthesized to notice the effect of substituted ions concentration on the dielectric properties. Thermogravimetric analysis of the precursor precipitates was taken to investigate the stable spinel phase formation temperature. The X-ray diffraction analysis of the all substituted samples confirms the successful formation of the stable spinel phase and also exposes the effects of substituted ions on the crystal structure and unit cell constants. The presence of a characteristic absorption band (400 cm−1, 550 cm−1) of spinel ferrites in the Fourier Transform Infra Red (FT-IR) spectrum of substituted magnesium nanoferrites also confirms the formation of desire phase. The effect of temperature on the conductivity of the all substituted samples was observed within the temperature range of 25°C–300°C by two-probe direct current electrical resistivity measurements. Dielectric measurements of the substituted magnesium nanoferrites were carried out to study their magnetic behavior. The inverse relation of the dielectric parameters of the all substituted magnesium nanoferrites with frequency shows their excellent potential for devices that operate at higher frequencies.Department of Chemistry, University of Okara, Renala Khurd, Okara, Pakistan Department of Chemistry, Allama Iqbal Open University, H-8, Islamabad 45320, Pakistan.

Microemulsions (μEs)-based drug delivery is known to be superior as well as effective due to customizable and easy management, efficiency and capability, and quick drug absorption over a wide range of targets. Herein, two μE formulations were established comprising of clove oil (as oil phase), water (as aqueous phase), Tween-80 (as surfactant), isopropanol, and methanol (as cosurfactant) for formulation A (μE-A) and formulation B (μE-B), respectively, and further used for the encapsulation of an antimuscarinic drug, mirabegron (MBG). Multiple complementary measurements, namely, electrical conductivity (σ), viscosity (η), and optical microscopy, show the existence of phase transition from W/O to O/W μE via intermediate bicontinuous channels. MBG showed long storage stability as well as good solubility i.e. 3.0 and 2.5 wt% at pH 6.4 in optimum μE-A and μE-B, respectively. Furthermore, no apparent aggregation of MBG was observed, as revealed by scanning transmission electron microscopy and peak correlations of IR analysis, suggesting the stability of MBG inside the formulations. Likewise, fluorescence detection senses the interfacial environment of MBG molecules in the examined formulations that could be vital for understanding the mechanism of controlled drug release.

Capped silver nanoparticles (AgNPs) are used in many applications in the biomedical field because of their unique structural flexibility. Herein, a viable chemical reduction synthesis method for AgNPs is described employing ionic surfactants as stabilizing as well as capping agents. Stabilized AgNPs of a quasi-spherical shape were obtained using silver nitrate (AgNO3) as a precursor and sodium borohydride (NaBH4) as a reducing agent under multiple ionic micellar hierarchical approaches. UV-Visible spectroscopy studies showed characteristic single and sharp absorbance peaks in the range 400 to 420 nm, which indicates the absence of the self-aggregation of AgNPs, whereas the FTIR results indicated the surfactant functionalities responsible for the stability of the AgNPs. Micrographs of the as-obtained AgNPs, obtained via electron microscopy (SEM, STEM), demonstrated a fine monomodal collection of spherical nanoparticles of

Plastics are high molecular mass organic polymers obtained mostly from various hydrocarbons of petrochemicals. Over the past 50 years, plastic materials have been used as a substitution of metal, wood, and paper for many applications because of their excellent features in terms of stability, lightness, low cost, and durability. These polymers are basically nonbiodegradable with only a few exceptions. Poor behavior in communities toward the proper disposal of plastic wastes poses significant threats to the environment. Plastic waste consists of polypropylene, low and high-density polyethylene, polystyrene, polyethylene tetrachloride, polyvinyl chloride, and so forth. Plastic additives of concerns to health and environment include bisphenol A, organotin, triclosan, phthalates, and brominated flame retardants. The current methods used for plastic waste management include incineration, landfilling, chemical, and mechanical recycling. Because plastics are quite recalcitrant type materials, the combined approach using photochemical or thermochemical processes, followed by bioprocessing, is an excellent example of plastic waste management. Biodegradation of plastics is a biochemical process in which a particular compound ultimately breaks into very simpler molecules by the action of enzymes. Plastics are usually biodegraded partly aerobically in soil and compost and anaerobically in landfills and sediments. Aerobic biodegradation produces water and carbon dioxide, while water, carbon dioxide, and methane are produced during anaerobic biodegradation. Biodegradation of plastic waste materials may result in the formation of nanoplastics.

Surfactant stabilized Gold (Au) nanomaterials (NMs) have been documented extensively in recent years for numerous sensing applications in the academic literature. Despite the crucial role these surfactants play in the sensing applications, the comprehensive reviews that highlights the fundamentals associated with these assemblies and impact of these surfactants on the properties and sensing mechanisms are still quite scare. This review is an attempt in organizing the vast literature associated with this domain by providing critical insights into the fundamentals, preparation methodologies and sensing mechanisms of these surfactant stabilized Au NMs. For the simplification, the surfactants are divided into the typical and advanced surfactants and the Au NMs are classified into Au nanoparticles (NPs) and Au nanoclusters (NCs) depending upon the complexity in structure and size of the NMs respectively. The preparative methodologies are also elaborated for enhancing the understanding of the readers regarding such assemblies. The case studies regarding surfactant stabilized Au NMs were further divided into colorimetric sensors, surface plasmonic resonance (SPR) based sensors, luminescence-based sensors, and electrochemical/electrical sensors depending upon the property utilized by the sensor for the sensing of an analyte. Future perspectives are also discussed in detail for the researchers looking for further progress in that particular research domain.

Due to the lack of wastewater treatment facility in Pakistan, the wastewater is directly discharged via urban drains, which might cause a high load of contaminants of emerging concerns and potential environmental risks. The present study focused on the occurrence and risk assessment of 52 pharmaceuticals and personal care products (PPCPs) of diversified classes in the water and sediment samples of urban drains and canal of Lahore, Pakistan. Non-steroidal anti-inflammatory drugs were the predominant PPCPs detected in the wastewater of urban drains and surface water of canal. The highest concentration was observed for acetaminophen, with median concentration of 13,880 ng/L followed by caffeine with median concentration of 6200 ng/L. Antibiotics were the predominant PPCPs in the sediment samples with highest concentration of ofloxacin (median value of 1980 μg/kg) followed by ciprofloxacin and oxytetracycline. Spatial variation showed that the population density has significant correlation with the level of many PPCPs in surface water while one of the drainage systems is affected by the direct wastewater discharge from the nearby industrial area. Ecological risk assessment in terms of risk quotient revealed that most of the PPCPs may cause high risk to the aquatic community. This high risk may lead to further contamination of food and crops, therefore enforcement of environmental legislations for treatment of wastewater is recommended.

To minimize the detrimental effects of contaminated water, technology-based smart treatment processes are prerequisite for sustainable supply of drinking water. Nano-sized metal oxides are the best choice futuristic adsorbents for the removal of water toxins as such materials are associated with the characteristics of simplicity, versatility, efficacy and high surface reactivity. In this study, we describe a nanostructured ZnO adsorbent, which displays remarkable efficiency toward the removal of widely used azo dyes, methyl orange (MO) and amaranth (AM), from aqueous systems. The ZnO nanoparticles (ZnO-NPs) were prepared by simple co-precipitation method, and the structural morphology of the as-prepared NPs was revealed by X-ray diffraction (XRD), scanning electron microscopy (SEM), Fourier transform IR (FTIR) and Brunauer–Emmett–Teller (BET). After complementary characterization, as-prepared ZnO-NPs were further used as adsorbent for the removal of toxic azo dyes (MO and AM) from water. The results revealed that an amount of 0.3 g ZnO-NPs showed maximum removal efficiency of each dye (40 ppm) at pH 6. It was further confirmed that the adsorption of both dyes on ZnO-NPs strongly followed the Langmuir model whereas the kinetics studies revealed that each adsorption process was pseudo second order. Moreover, the findings suggested that R-SO3– groups were active sites and the electrostatic attraction between the dyes (MO–, AM–) and ZnO-NPs+ may be the prime adsorption mechanism of designated removal systems. Keywords: ZnO nanoparticles, Adsorption, Wastewater, Anionic dyes, Regeneration

The two cationic palladium(II) complexes, [Pd(Len)2][OTf]2 (4) and [Pd(Lphen)2][OTf]2 (5), were synthesized by treatment of bis(benzonitrile)dichloropalladium(II) with [H2Len][OTf]2 (2) or [H2Lphen][OTf]2 (3), respectively, in the presence of a weak base. The pro-ligands 2 and 3 were synthesized by melt reactions between N-methyl-4-chloropyridinium triflate (1) and the amines ethylenediamine or phenylenediamine, respectively. The water-soluble compounds 2–5 were fully characterized, including by single-crystal X-ray crystal structure determinations for 2–4. UV-Vis and fluorescence spectroscopy were used to study the binding interactions of 2–5 with CT-DNA. The spectroscopic data suggested the presence of intercalative and groove binding modes and this was supported by molecular docking studies. The in vitro cytotoxicity studies (IC50 values) showed that the human breast cancer cell lines MCF-7 and T47D were more sensitive towards 3, 4 and 5 than cisplatin. The cytotoxicity of the new compounds decreased in the order 5 > 4 > 3 > 2. Furthermore, the annexin V-FITC staining method strongly suggested the presence of phosphatidylserine (PS) on the outer membrane of the treated cells, which is a hallmark of apoptosis.

Nanomaterials have been used in many commercial products with the market for such products estimated to be about one trillion dollars up to 2015 ( Taylor, 2002 ). Accordingly, potential exposure to manufactured nanoparticles has also increased dramatically and is going to rise more in the near future. There is thus a strong need to address this issue in a more critical way. This chapter is about awareness about toxicology of nanomaterials. It covers how nanomaterials can affect health, their possible exposure routes, and protective measures. Workplace exposure is described here in detail with appropriate protective measures. Different pieces of legislation for nanomaterials safety regulation are discussed. The use of nanomaterials, their handling by safe routes, and their disposal are also explored here in detail. The World Health Organization designed a project for safe handling of nanomaterials which resulted in WHO guidelines, and these are described in the final part of the chapter.

The core-shell architecture of surfactant micelles serves as a super solvent to remove inevitable organic pollutants from industrial wastewater. In the present study, the synergistic mechanism improving the aqueous solubility of Direct Black 2 dye by a single cationic surfactant, cetyltrimethylammonium bromide (CTAB), and its composite solutions with nonionic surfactants, Triton X-100 (TX-100) and Tween 20 (Tw-20), has been studied in detail. The spectral behavior of dye was monitored in the presence of a surfactant from its pre-to-post micellar concentration. It was found that solubilization was greatly enhanced in the cationic-nonionic mixed micelle systems. The value of the binding constant (Kb) was 9.10 × 104 dm3/mol for CTAB, which was increased significantly increased to 58.45 × 104 dm3/mol for CTAB + Tw-20 and 86.82 × 104 dm3/mol for CTAB + TX-100. The value of the partition coefficient (Kx) also increased in a similar manner. The observed order of the extent of dye solubilization in micellar system was: CTAB < CTAB + Tw-20 < CTAB + TX-100. The enhanced solubility of dye in mixed surfactant solutions was attributed to higher aggregation number, lower critical micelle concentration (CMC) and more hydrophobic interior of micelle. Moreover, the degree of ionization degree (β), the CMC and related thermodynamic parameters were calculated from conductometric measurements, the results of which showed that the solubilization process in all types of surfactant systems is spontaneous and thermodynamically feasible, which may contribute to the sustained release of active-ingredients through self-assemblies.