Design and discovery of anthranilamide derivatives as a potential treatment for neurodegenerative disorders via targeting cholinesterases and monoamine oxidases.

Neurodegenerative diseases with progressive cellular loss of the central nervous system and elusive disease etiology provide a continuous impetus to explore drug discovery programmes aiming at identifying robust and effective inhibitors of cholinesterase and monoamine oxidase enzymes. We herein present a concise library of anthranilamide derivatives involving a palladium-catalyzed Suzuki-Miyaura cross-coupling reaction to install the diverse structural diversity required for the desired biological action. Using Ellman's method, cholinesterase inhibitory activity was performed against AChE and BuChE enzymes. In vitro assay results demonstrated that anthranilamides are potent inhibitors with remarkable potency. Compound 6k emerged as the lead candidate and dual inhibitor of both enzymes with IC50 values of 0.12 ± 0.01 and 0.49 ± 0.02 µM against AChE and BuChE, respectively. Several other compounds were found as highly potent and selective inhibitors. Anthranilamide derivatives were also tested against monoamine oxidase (A and B) enzymes using fluorometric method. In vitro data revealed compound 6h as the most potent inhibitor against MAO-A, showing an IC50 value of 0.44 ± 0.02 µM, whereas, compound 6k emerged as the top inhibitor of MAO-B with an IC50 value of 0.06 ± 0.01 µM. All the lead inhibitors were analyzed for the identification of their mechanism of action using Michaelis-Menten kinetics experiments. Compound 6k and 6h depicted a competitive mode of action against AChE and MAO-A, whereas, a non-competitive and mixed-type of inhibition was observed against BuChE and MAO-B by compounds 6k. Molecular docking analysis revealed remarkable binding affinities of the potent inhibitors with specific residues inside the active site of receptors. Furthermore, molecular dynamics simulations were performed to explore the ability of potent compounds to form energetically stable complexes with the target protein. Finally, in silico ADME calculations also demonstrated that the potent compounds exhibit promising pharmacokinetic profile, satisfying the essential criteria for drug-likeness. Altogether, the findings reported in the current work clearly suggest that the identified anthranilamide derivatives have the potential to serve as effective drug candidates for future investigations.

Comprehensive first principles to investigate optoelectronic and transport phenomenon of lead-free double perovskites Ba2AsBO6 (B[bond, double bond]Nb, Ta) compounds.

In the current work we studied the structural, elastics, electrical, optical, thermoelectric, as well as spectroscopic limited maximum efficiency (SLME) of oxide based Ba2AsBO6 (B[bond, double bond]Nb, Ta) materials. All the calculations were performed using first-principles calculation by employing the WIEN2k code. We checked the stability in diverse forms such as optimization, phonon dispersion, mechanical, formation energy, cohesive energy, and thermal stability is computed. The semiconducting nature of these Ba2AsBO6 (B[bond, double bond]Nb, Ta) systems is revealed by calculating the direct band gap values are 1.97 eV and 1.49 eV respectively. Additionally, we determined the optical properties which analyze the utmost absorption and transition of carriers versus photon energy (eV). Moreover, Ba2AsNbO6 has an estimated SLME of 32 %, making it an encouraging alternative for single-junction solar cells. Lastly, we studied the transport properties against temperature, the chemical potential for p-type and n-type charge carriers at various temperatures. At 300 K, the zT values are found to be 0.757 and 0.751 for Ba2AsBO6 (B[bond, double bond]Nb, Ta) compounds respectively. Both materials were examined as having strong absorption patterns and an excellent figure of merit (ZT), indicating that materials are appropriate for daily life applications.

Building Molecular Nanomagnets by Encapsulating Lanthanide Ions in Boron Nitride Nanotubes: Ab Initio Investigation.

Lanthanide-based single-ion magnets have attracted much interest due to their great potential for information storage at the level of one molecule. Among various strategies to enhance magnetization blocking in such complexes, the synthesis of axially symmetric compounds is regarded as the most promising. Here, we investigate theoretically the magnetization blocking of several lanthanide ions (Tb3+, Dy3+, Ho3+, Er3+, and Tm3+) encapsulated in highly symmetric zigzag boron nitride nanotubes (BNNTs) of different diameters with ab initio methodology. We found that Tb3+@(7,0)BNNT, Dy3+@(7,0)BNNT, and Tm3+@(5,0)BNNT are suitable SIM candidates, while the other investigated complexes from this series show no signs of magnetization blocking owing to a hard competition between contributions to the crystal field of the lanthanide ion from neighboring and more distant atoms of the nanotube.

Role of organic and inorganic amendments on physiological attributes of germinating pea seedlings under arsenic stress.

There are scarce data regarding the effects of soil amendments on biophysicochemical responses of plants at the early stages of growth/germination. This study critically compares the effects of ethylene-diamine-tetra-acetic-acid (EDTA) and calcium (Ca) on biophysicochemical responses of germinating pea seedlings under varied arsenic levels (As, 25, 125, 250 µM). Arsenic alone enhanced hydrogen peroxide (H2O2) level in pea roots (176%) and shoot (89%), which significantly reduced seed germination percentage, pigment contents, and growth parameters. Presence of EDTA and Ca in growth culture minimized the toxic effects of As on pea seedlings, EDTA being more pertinent than Ca. Both the amendments decreased H2O2 levels in pea tissues (16% in shoot and 13% in roots by EDTA, and 7% by Ca in shoot), and maintained seed germination, pigment contents, and growth parameters of peas close to those of the control treatment. The effects of all As-treatments were more pronounced in the pea roots than in the shoot. The presence of organic and inorganic amendments can play a useful role in alleviating As toxicity at the early stages of pea growth. The scarcity of data demands comparing plant biophysicochemical responses at different stages of plant growth (germinating vs mature) in future studies.

Till date, abundant research has focused on plant biophysicochemical responses to different types of pollutants. However, the majority of these studies dealt with pollutant exposure to mature plants (generally after a vegetative growth period of 1­2 weeks). Despite significant research, there are still limited data regarding the biophysicochemical responses of plants at their early stages of germination and growth. In fact, stresses at germination or at an early stage of growth can be highly fatal and may significantly affect the ultimate plant growth and potential to remediate the contaminated sites. Therefore, the current study deals with the exposure of germinating pea seedlings to arsenic (As) stress under varied amendments. This experimental plan helped to understand the initial biophysicochemical changes induced in pea plants under As stress.

Metal oxide-embedded carbon-based materials for polymer solar cells and X-ray detectors.

This study examines the effects of hybrid nanoparticles made of NiO@rGO (reduced graphene oxide) and NiO@CNT (carbon nanotubes) on PCDTBT and PCBM active layers in glass/ITO/HTL/active-layer/LiF/Al structured bulk heterojunction (BHJ) polymer solar cells (PSCs) and X-ray photodetectors. These hybrid nanoparticles were used to create BHJ solar cells and photodetectors, and microscopic research was conducted to determine how they affect the structure of the devices. The findings show that compared to conventional matrices, the active layers with NiO@rGO and NiO@CNT incorporation have increased the charge carrier capacities and exciton dissociation properties. In order to assess their impact on the characteristics of charge transport, various weight ratios of these hybrid nanoparticles dispersed in polymer junctions are being investigated. Notably, compared to the pure PCDTBT:PCBM active layer (power conversion efficiency (PCE) = 4.35%), the NiO@CNT device has the highest PCE = 6.42% which, among the tested configurations, demonstrates its superior performance in converting sunlight into electricity. Among the tested X-ray detector materials, "NiO@CNT" achieves the best performance with a sensitivity of 1.92 mA Gy-1 cm-2. Through improved interfacial behaviors and effective charge transport, this work highlights the potential of these cutting-edge hybrid nanoparticles to enhance the performance of organic electronic devices.

Fabricated Gamma-Alumina-Supported Zinc Ferrite Catalyst for Solvent-Free Aerobic Oxidation of Cyclic Ethers to Lactones.

The aim of this work was to fabricate a new heterogeneous catalyst as zinc ferrite (ZF) supported on gamma-alumina (γ-Al2O3) for the conversion of cyclic ethers to the corresponding, more valuable lactones, using a solvent-free method and O2 as an oxidant. Hence, the ZF@γ-Al2O3 catalyst was prepared using a deposition-coprecipitation method, then characterized using TEM, SEM, EDS, TGA, FTIR, XRD, ICP, XPS, and BET surface area, and further applied for aerobic oxidation of cyclic ethers. The structural analysis indicated spherical, uniform ZF particles of 24 nm dispersed on the alumina support. Importantly, the incorporation of ZF into the support influenced its texture, i.e., the surface area and pore size were reduced while the pore diameter was increased. The product identification indicated lactone compound as the major product for saturated cyclic ether oxidation. For THF as a model reaction, it was found that the supported catalyst was 3.2 times more potent towards the oxidation of cyclic ethers than the unsupported one. Furthermore, the low reactivity of the six-membered ethers can be tackled by optimizing the oxidant pressure and the reaction time. In the case of unsaturated ethers, deep oxidation and polymerization reactions were competitive oxidations. Furthermore, it was found that the supported catalyst maintained good stability and catalytic activity, even after four cycles.

Bulk Photovoltaic Effect in Two-Dimensional Distorted MoTe2.

In future solar cell technologies, the thermodynamic Shockley-Queisser limit for solar-to-current conversion in traditional p-n junctions could potentially be overcome with a bulk photovoltaic effect by creating an inversion broken symmetry in piezoelectric or ferroelectric materials. Here, we unveiled mechanical distortion-induced bulk photovoltaic behavior in a two-dimensional (2D) material, MoTe2, caused by the phase transition and broken inversion symmetry in MoTe2. The phase transition from single-crystalline semiconducting 2H-MoTe2 to semimetallic 1T'-MoTe2 was confirmed using X-ray photoelectron spectroscopy (XPS). We used a micrometer-scale system to measure the absorption of energy, which reduced from 800 to 63 meV during phase transformation from hexagonal to distorted octahedral and revealed a smaller bandgap semimetallic behavior. Experimentally, a large bulk photovoltaic response is anticipated with the maximum photovoltage VOC = 16 mV and a positive signal of the ISC = 60 µA (400 nm, 90.4 Wcm-2) in the absence of an external electric field. The maximum values of both R and EQE were found to be 98 mAW-1 and 30%, respectively. Our findings are distinctive features of the photocurrent responses caused by in-plane polarity and its potential from a wide pool of established TMD-based nanomaterials and a cutting-edge approach to optimize the efficiency in converting photons-to-electricity for power harvesting optoelectronics devices.

Influence of fly ash on thermo-mechanical and mechanical behavior of injection molded polypropylene matrix composites.

Polypropylene composites find widespread application in industries, including packaging, plastic parts, automotive, textiles, and specialized devices like living hinges known for their remarkable flexibility. This study focuses on the manufacturing of polypropylene composite specimens by incorporating varying weight percentages of fly ash particles with polypropylene using a twin-screw extruder and injection molding machine. The composites were comprehensively tested, evaluating tensile, compressive, and flexural strength, solid-state and polymer melt properties, modulus, damping, and thermal response. The findings reveal that the compressive strength of polypropylene increases up to 2 wt% of added fly ash particles and subsequently exhibits a slight decline. Tensile strength demonstrates an increase up to 1 wt% of fly ash, followed by a decrease with a 2 wt% addition, and then a subsequent increase. Flexural strength shows improvement up to 3 wt% fly ash addition before declining. The storage modulus curve is categorized into three regions: the glassy region (up to 0 °C), the glass transition region (0-50 °C), and the glass transition region of polypropylene (>50 °C), each corresponding to different molecular motions. Weight loss curves exhibit similar trends, indicating uniform pyrolysis behavior attributed to consistent chemical bonds. Plastic degradation commences around 440 °C and concludes near 550 °C. Additionally, elemental mapping of fly ash composition identified various elements such as O, Si, K, Mg, Ca, Cl, Na, P, Al, Fe, S, Cu, Ti, and Ni. These findings offer valuable insights into the mechanical and thermal properties of polypropylene composites reinforced with fly ash, rendering them suitable for a wide range of industrial applications necessitating strength and durability across temperature variations.

Single-ion magnet behavior of Ln3+ encapsulated in carbon nanotubes: an ab initio insight.

Single-molecule magnets (SMMs) have attracted large interest owing to their capability to store information at the level of a single molecule, which has great potential for applications in information technology. The key characteristic required for SMM performance is the magnetization blocking barrier, and in the last decade, impressive efforts have been made to increase its height. Herein, we report an ab initio investigation of the SMM behavior of a series of lanthanide ions (Tb3+, Dy3+, Ho3+, Er3+, Tm3+ and Yb3+) encapsulated in zigzag carbon nanotubes (CNTs) of different diameters. The results show that despite the high symmetry of the Ln environment, none of the investigated systems, except for Er3+ encapsulated in the (7,0) CNT, exhibited any blocking behavior. This is mainly attributed to the strong competition between axial and equatorial contributions to the crystal field of these encapsulated ions, resulting in weak or lack of magnetic axiality. The presented results provide useful theoretical guidance for the design of high-performance SMMs via modulating the crystal field of the ligand environment.

Arsenic level in groundwater and biological samples in Khanewal, Pakistan.

Groundwater is the most valuable natural source in our earth's planet, being contaminated in various regions worldwide. Despite considerable research, there are scarce data regarding arsenic (As) levels in groundwater and its build-up in biological samples in Pakistan. The current investigation analyzed As contamination in four tehsils of District Khanewal (Kabirwala tehsil, Jahaniyan tehsil, Mian Channu tehsil, and Khanewal tehsil). For that, 123 groundwater samples, 19 animal milk samples, 20 human nails, and 20 human hair samples were collected from the study area. Arsenic concentration in groundwater was up to 51.8 µg/L with an average value of 7.2 µg/L. About 28 water samples (23%) had As contents > WHO limit and 38 samples (31%) > DEP-NJ limit. Low levels of As were detected in biological samples. Average As levels were 23 µg/L in the milk samples and 298 µg/kg in human hair. Arsenic contents were not detected in nail samples, except in one sample from Kabirwala tehsil. The maximum values of hazard quotient and cancer risk in District Khanewal were 4.9 and 0.0022, respectively. It is anticipated that long-term use of As-containing water may led to poisoning of humans in the study area, especially in Kabirwala. Therefore, it is necessary to monitor As contamination in the groundwater of Kabirwala tehsil to reduce the potential health hazards.

Chromium removal from aqueous solution using bimetallic Bi0/Cu0-based nanocomposite biochar.

Chromium (Cr), due to its greater contamination in aquifers and distinct eco-toxic impacts, is of greater environmental concern. This study aimed to synthesize nanocomposites of almond shells biochar (BC) with zerovalent bismuth and/or copper (Bi0/BC, Cu0/BC, and Bi0-Cu0/BC) for the removal of Cr from aqueous solution. The synthesized nanocomposites were investigated using various characterization techniques such as XRD, FTIR spectroscopy, SEM, and EDX. The Cr removal potential by the nanocomposites was explored under different Cr concentrations (25-100 mg/L), adsorbent doses (0.5-2.0 g/L), solution pH (2-8), and contact time (10-160 min). The above-mentioned advanced techniques verified successful formation of Bi0/Cu0 and their composite with BC. The synthesized nanocomposites were highly effective in the removal of Cr. The Bi0-Cu0/BC nano-biocomposites showed higher Cr removal efficiency (92%) compared to Cu0/BC (85%), Bi0/BC (76%), and BC (67%). The prepared nanocomposites led to effective Cr removal at lower Cr concentrations (25 mg/L) and acidic pH (4.0). The Cr solubility changes with pH, resulting in different degrees of Cr removal by Bi0-Cu0/BC, with Cr(VI) being more soluble and easier to adsorb at low pH levels and Cr(III) being less soluble and more difficult to adsorb at high pH levels. The experimental Cr adsorption well fitted with the Freundlich adsorption isotherm model (R2 > 0.99) and pseudo-second-order kinetic model. Among the prepared nanocomposites, the Bi0-Cu0/BC showed greater stability and reusability. It was established that the as-synthesized Bi0-Cu0/BC nano-biocomposite showed excellent adsorption potential for practical Cr removal from contaminated water.

Comparison of As removal efficiency and health risks from aqueous solution using as-synthesized Fe0 and Cu0: modelling, kinetics and reusability.

Batch scale removal of arsenic (As) from aqueous media was explored using nano-zero valent iron (Fe0) and copper (Cu0) particles. The synthesized particles were characterized using a Brunauer-Emmett-Teller (BET) surface area analyzer, a scanning electron microscope (SEM), and Fourier transform infrared spectroscopy (FTIR). The BET result showed that the surface area (31.5 m2/g) and pore volume (0.0415 cm3/g) of synthesized Fe0 were higher than the surface area (17.56 m2/g) and pore volume (0.0287 cm3/g) of Cu0. The SEM results showed that the morphology of the Fe0 and Cu0 was flowery microspheres and highly agglomerated with thin flakes. The FTIR spectra for Fe0 showed broad and intense peaks as compared to Cu0. The effects of the adsorbent dose (1-4 g/L), initial concentration of As (2 mg/L to 10 mg/L) and solution pH (2-12) were evaluated on the removal of As. Results revealed that effective removal of As was obtained at pH 4 with Fe0 (94.95%) and Cu0 (74.86%). When the dosage increased from 1 to 4 g L-1, the As removal increased from 70.59 to 93.02% with Fe0 and from 67 to 70.59% with Cu0. However, increasing the initial As concentration decreased the As removal significantly. Health risk indices, including estimated daily intake (EDI), hazard quotient (HQ), and cancer risk (CR) were employed and a significant decline (up to 99%) in risk indices was observed in As-treated water using Fe0/Cu0. Among the adsorption isotherm models, the values of R2 showed that isothermal As adsorption by Fe0 and Cu0 was well explained by the Freundlich adsorption isotherm model (R2 > 0.98) while the kinetic experimental data was well-fitted with the Pseudo second order model. The Fe0 showed excellent stability and reusability over five sorption cycles, and it was concluded that, compared to the Cu0, the Fe0 could be a promising technology for remediating As-contaminated groundwater.

Latest Innovations in 2D Flexible Nanoelectronics.

2D materials with dangling-bond-free surfaces and atomically thin layers have been shown to be capable of being incorporated into flexible electronic devices. The electronic and optical properties of 2D materials can be tuned or controlled in other ways by using the intriguing strain engineering method. The latest and encouraging techniques in regard to creating flexible 2D nanoelectronics are condensed in this review. These techniques have the potential to be used in a wider range of applications in the near and long term. It is possible to use ultrathin 2D materials (graphene, BP, WTe2 , VSe2 etc.) and 2D transition metal dichalcogenides (2D TMDs) in order to enable the electrical behavior of the devices to be studied. A category of materials is produced on smaller scales by exfoliating bulk materials, whereas chemical vapor deposition (CVD) and epitaxial growth are employed on larger scales. This overview highlights two distinct requirements, which include from a single semiconductor or with van der Waals heterostructures of various nanomaterials. They include where strain must be avoided and where it is required, such as solutions to produce strain-insensitive devices, and such as pressure-sensitive outcomes, respectively. Finally, points-of-view about the current difficulties and possibilities in regard to using 2D materials in flexible electronics are provided.

Effect of freshwater and wastewater irrigation on buildup of toxic elements in soil and maize crop.

Untreated wastewater is routinely used for agricultural activities in water-stressed regions, thereby causing severe ecological risks by various pollutants. Hence, management strategies are needed to cope with the environmental issues related to wastewater use in agriculture. This pot study evaluates the effect of mixing either freshwater (FW) or groundwater (GW) with sewage water (SW) on the buildup of potentially toxic elements (PTEs) in soil and maize crop. Results revealed that SW of Vehari contains high levels of Cd (0.08 mg L-1) and Cr (2.3 mg L-1). Mixing of FW and GW with SW increased soil contents of As (22%) and decreased Cd (1%), Cu (1%), Fe (3%), Mn (9%), Ni (9%), Pb (10%), and Zn (4%) than SW "alone" treatment. Risk indices showed high-degree of soil-contamination and very-high ecological risks. Maize accumulated considerable concentrations of PTEs in roots and shoot with bioconcentration factor > 1 for Cd, Cu, and Pb and transfer factor > 1 for As, Fe, Mn, and Ni. Overall, mixed treatments increased plant contents of As (118%), Cu (7%), Mn (8%), Ni (55%), and Zn (1%), while decreased those of Cd (7%), Fe (5%), and Pb (1%) compared to SW "alone" treatments. Risk indices predicted possible carcinogenic risks to cow (CR 0.003 > 0.0001) and sheep (CR 0.0121 > 0.0001) due to consumption of maize fodder containing PTEs. Hence, to minimize possible environmental/health hazards, mixing of FW and GW with SW can be an effective strategy. However, the recommendation greatly depends on the composition of mixing waters.

Screening of ionic liquids as green entrainers for ethanol water separation by extractive distillation: COSMO-RS prediction and aspen plus simulation.

Ionic liquids (ILs) have been demonstrated as promising alternatives to conventional entrainers in separation of azeotropic mixtures mostly investigating phase equilibrium and process design scenarios. However, proper selection of ILs for a specific task always remains challenging. Hence a simulation tool, i.e. conductor like screening model for real solvents (COSMO-RS) was applied to address this challenge. Furthermore, screened ILs were simulated as entrainers for ethanol water separation by extractive distillation. The current study also aims to demonstrate a systematic approach to retrofit existing processes, by employing ILs as green entrainers. Screening of twenty-five (25) ILs was carried out using COSMO-RS to select suitable ILs as green entrainers based on activity coefficient, capacity and selectivity. Results illustrated that tetramethylammonium chloride ([TMAm][Cl]) due to its strong hydrogen bonding ability was found to be the best ILs entrainer. Moreover, in order to reduce the operating costs without compromising desired product purity (ethanol purity ≥99.5% in top product), the selected ILs (8 kg/h) in a mixture with ethylene glycol (72 kg/h) were simulated using Aspen plus v.11. The simulation results revealed that by combining tetramethylammonium chloride (2 kg/h) with ethylene glycol (78 kg/h) reduced 7.26 tons of CO2 emissions/year through heat integration by saving 1.49*108 kJ/year energy besides minimizing operating costs. In conclusion, the systematic selection of ILs as green entrainers in combination with ethylene glycol and then the appropriate simulation of the whole system will ultimately reduce the cost of the separation process and reduce the emission of greenhouse gases as well utilization of toxic conventional entrainers.

Potential of magnetic quinoa biosorbent composite and HNO3 treated biosorbent for effective sequestration of chromium (VI) from contaminated water.

The present study aims to prepare novel quinoa biosorbent (QB), acid activated QB (QB/Acid) and its nanocomposite with magnetic nanoparticles (QB/MNPs) for batch scale Cr removal from contaminated water. The Cr adsorption was systematically studied at different pH (2-9), adsorbent dosage (1-3 g/L), initial concentration (25-200 mg/L), contact time (180 min) and competing ions in water. Maximum Cr adsorption was observed onto QB/MNPs (57.4 mg/L), followed by QB/Acid (46.35 mg/g) and QB (39.9 mg/g). The Cr removal by QB/MNPs was higher than QB/Acid and QB. Results revealed that the highest Cr removal was obtained at optimum pH 4, 25 mg/L, and 2 g/L dosage. The FTIR spectra displayed various functional groups on adsorbents surface serving as a potential scaffold to remove Cr from contaminated water. The equilibrium and kinetic Cr adsorption data best fitted with Freundlich and pseudo-second order models, respectively (R2 ≥ 0.96). The QB/MNPs showed excellent reusability in five adsorption/desorption cycles (4.7% decline) with minor leaching of Fe (below threshold level). The coexisting ions in groundwater showed an inhibitory effect on Cr sequestration (5%) from water. The comparison of Cr adsorption by QB/MNPs and QB/Acid showed better potential for Cr sequestration than various previously explored adsorbents in the literature.

Quinoa is a cereal crop and after harvesting quinoa straws are either burnt or thrown away which can cause several environmental problems. It would be beneficial to utilize quinoa straws and its modified forms as adsorbents for the water remediation. Therefore, current study aims to estimate the adsorption capacity of quinoa biomass as biosorbent (QB) and its modifications (QB/Acid and QB/MNPs) to treat Cr (VI) contaminated water. The influence of various parameters governing the Cr removal from water has been evaluated. The reusability of QB/MNPs has also been evaluated for its economical use without losing effectiveness for Cr removal from water. The comparison of Cr adsorption by QB/MNPs and QB/Acid showed better adsorption potential for Cr sequestration than various previously explored adsorbents in the literature.

Electrocatalytic oxidation and amperometric determination of sulfasalazine using bimetal oxide nanoparticles-decorated graphene oxide composite modified glassy carbon electrode at neutral pH.

Cube-shaped samarium orthovanadate (SmVO4) nanoparticles were interconnected with a graphene oxide sheet (GOS) using a simple and eco-friendly method to generate a SmVO4@GOS nanocomposite. SmVO4 was characterized using various spectroscopic and microscopic techniques, which confirmed the wrapping of GOS around the SmVO4 nanoparticles. SmVO4@GOS was then used to modify a glassy carbon electrode (GCE), which was evaluated for its electrochemical performance toward the assay of sulfasalazine (SSZ), an antibiotic drug. Cyclic voltammetry and amperometry were both used for the assay of SSZ using the SmVO4@GOS-modified GCE at pH 7. The modified amperometric sensor is more sensitive, with a low detection limit (2.16 nM) and wide linear range of 20 nM-667 µM (Ag/AgCl). The electrochemical oxidation of SSZ was tested with blood serum and urine samples at physiological pH with recoveries in the range 96.1-98.6%. It indicates that the modified electrochemical sensor has good sensitivity and practical applicability toward SSZ detection. In the field of non-enzymatic sensors, SmVO4@GOS/GCE provides a highly promising performance. Therefore, the electrochemical sensors have capacity for extensive analytical applications in biomedical devices.

Accumulation pattern and risk assessment of potentially toxic elements in selected wastewater-irrigated soils and plants in Vehari, Pakistan.

There are scarce data about the accumulation pattern and risk assessment of potentially toxic elements (PTEs) in soil and associated potential ecological risks, especially in less-developed countries. This study aims to assess the pollution levels and potential ecological risks of PTEs (As, Cr, Cd, Cu, Ni, Mn, Pb and Zn) in wastewater-irrigated arable soils and different edible-grown plants in selected areas of Vehari, Pakistan. The results revealed that the values of PTEs in soil samples were higher than their respective limit values by 20% for As, 87% for Cd, 15% for Cu, 2% for Cr, 83% for Mn, 98% for Fe, and 7% for Zn. The values of soil risk indices such as the potential ecological risk (PERI >380 for all samples), pollution load index (PLI >4 for 94% of studied samples), and degree of contamination (Dc > 24 for all samples) showed severe soil contamination in the study area. Some vegetables exhibited a high metal accumulation index (e.g., 8.1 for onion), signifying potential associated health hazards. Thus, long-term wastewater irrigation has led to severe soil contamination, which can pose potential ecological risks via PTE accumulation in crops, particularly Cd. Therefore, to ensure food safety, frequent wastewater irrigation practices need to be minimized and managed in the study area.

Highly Selective and Sensitive Voltammetric Method for the Detection of Catechol in Tea and Water Samples Using Poly(gibberellic acid)-Modified Carbon Paste Electrode.

Despite the wide range of applications of catechol (CC) in agrochemical, petrochemical, textile, cosmetics, and pharmaceutical industries, its exposure to the environment leads to health issues as it is carcinogenic. This increased the concern over the risk of exposure level of CC in the environment, and monitoring its level has become critical. In this work, we report the fabrication of poly-gibberellic acid-modified carbon paste electrode (PGBAMCPE) to be a simple, viable, and effective electrochemical electrode for the determination of CC. This was synthesized by a simple electropolymerization method by the cyclic voltammetry (CV) technique. The electrodes were characterized by field emission electron microscopy, energy-dispersive X-ray spectroscopy, and electrochemical impedance spectroscopy. Compared to the bare carbon paste electrode, the sensitivity for CC fortified at PGBAMCPE in both CV and differential pulse voltammetry (DPV). We succeeded attaining a lower detection limit of 0.57 µM by the DPV method. The developed electrode was observed to be highly conductive, transducing, stable, and reproducible and was highly selective with anti-interfering properties from the determination of CC with hydroquinone simultaneously. The applicability of the electrode was confirmed from the detection CC in tea and water samples with good recoveries. This substantiates that PGBAMCPE is promising and consistent for the rapid monitoring of CC-contaminated area and clinical diagnosis.

Mechanisms of Luminescence in Lanthanide Complexes: A Crucial Role of Metal-Ligand Covalency.

A current understanding of the luminescence of lanthanide complexes is based on the phenomenological Judd-Ofelt (JO) theory. However, the mechanisms of electric-dipole transitions lying at its basis were never subjected to a rigorous analysis. Here, we investigate the contributions to the electric-dipole transitions in the Er3+ 4S3/2 → 4I15/2 band of an erbium trensal complex using state-of-the-art ab initio calculations. We find that the conventional JO mechanism based on the electrostatic crystal field yields only a quarter of the integral intensity of this band. Accordingly, three quarters of it is contributed by covalent binding of erbium and ligand orbitals via three major mechanisms, the 4f ligand and ligand-ligand electric-dipole transitions and covalent enhancement of the hybridization of 4f and even empty orbitals of erbium. We expect that these findings will inspire the design of efficient rare-earth luminescent materials.