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Organic semiconductors have gained substantial interest as active materials in electronic devices due to their advantages over conventional semiconductors. We first designed four Schiff base compounds, then the effect of electron donor/acceptor groups (methyl/nitro) was studied on the compounds' electronic and transport nature. The absorption spectra (λabs) were computed by time-dependent DFT at TD-B3LYP/6-31+G** level. The effect of different solvents (ethanol, DMF, DMSO, and acetone) was investigated on the λabs. The substitution of the -NO2 group to the furan moiety at the 5th position in Compound 3 leads to a red-shift in the absorption spectrum. A smaller hole reorganization energy value in Compound 3 would be beneficial to get the hole's intrinsic mobility. In contrast, a reduced-electron reorganization energy value of Compound 4 than hole may result in enhanced electron charge transfer capabilities. The reorganization energies of compounds 1 and 2 exposed balanced hole/electron transport probability. The optical, electronic, and charge transport properties at the molecular level indicate that Compound 3 is suitable for organic electronic device applications. [ABSTRACT FROM AUTHOR]

A series of new benzothiazole-derived donor–acceptor-based compounds (Comp1–4) were synthesized and characterized with the objective of tuning their multifunctional properties, i.e., charge transport, electronic, and optical. All the proposed structural formulations (Comp1–4) were commensurate using FTIR, 1H NMR, 13C NMR, ESI-mass, UV–vis, and elemental analysis techniques. The effects of the electron-donating group (-CH3) and electron-withdrawing group (-NO2) on the optoelectronic and charge transfer properties were studied. The substituent effect on absorption was calculated at the TD-B3LYP/6-31+G** level in the gas and solvent phases. The effect of solvent polarity on the absorption spectra using various polar and nonpolar solvents, i.e., ethanol, acetone, DMF, and DMSO was investigated. Light was shed on the charge transport in benzothiazole compounds by calculating electron affinity, ionization potential, and reorganization energies. Furthermore, the synthesized compounds were used to prepare thin films on the FTO substrate to evaluate the charge carrier mobility and other related device parameters with the help of I-V characteristic measurements. [ABSTRACT FROM AUTHOR]

The major components of supercapacitor are electrodes and electrolytes which are fabricated using various materials and methods. Hydrogel is one such material that is used in supercapacitors as electrodes and electrolytes or both. Hydrogels are usually described as a soft and porous network of polymer materials that can swell in water because of the hydrophilic nature of its polymer chains, compriseng a 3D structure. It is well known that supercapacitors possess high-power density but low energy density. For enhancing energy density of these electrochemical cells and a boost in its electrochemical performance and specific capacity, binder free conducting polymer hydrogel electrodes have gained immense attention, especially polyaniline (PANI) and polypyrrole (PPy). Therefore, in this work, chemically crosslinked PVA/Agar hydrogel electrolytes have been prepared and employed. Agar has been added in PVA since it is environmentally friendly, biodegradable, and cost-effective natural polymer. Subsequently, the binder free polyaniline/polypyrrole electrodes were grown on the PVA/Agar hydrogel electrolytes to fabricate all-in-one flexible hydrogels. The synthesized hydrogels were characterized using X-ray diffraction (XRD) analysis, Fourier transform infrared (FTIR) analysis, Field emission scanning electron microscope (FESEM) and mechanical studies. Then, the all-in-one flexible supercapacitors were fabricated using the hydrogels. The electrochemical studies such cyclic voltammetry (CV), galvanic charge discharge (GCD), and electrochemical impedance spectroscopy (EIS) studies. The fabricated all-in-one lamination free supercapacitors showed promising results and by comparing all four samples, PAP2 where 5 mL of PVA was used in combination with 3 mL of Agar and 5 mL of PANI and PPy each, exhibited the highest areal capacitance of 750.13 mF/cm2, energy density of 103.02 μWh/cm2, and 497.22 μW/cm2 power density. The cyclic stability study revealed the 149% capacity retention after 15,000 cycles. [ABSTRACT FROM AUTHOR]

Solvent evaporation and leakage of liquid electrolytes that restrict the practicality of dye-sensitized solar cells (DSSCs) motivate the quest for the development of stable and ionic conductive electrolyte. Gel polymer electrolyte (GPE) fits the criteria, but it still suffers from low efficiency due to insufficient segmental motion within the electrolytes. Therefore, incorporating metal oxide nanofiller is one of the approaches to enhance the performance of electrolytes due to the presence of cross-linking centers that can be coordinated with the polymer segments. In this research, polymer composite gel electrolytes (PCGEs) employing poly (vinyl butyral-co-vinyl alcohol-co-vinyl acetate) (P(VB-co-VA-co-VAc)) terpolymer as host polymer, tetrapropylammonium iodide (TPAI) as dopant salt, and copper oxide (CuO) nanoparticles as the nanofillers were produced. The CuO nanofillers were synthesized by sonochemical method and subsequently calcined at different temperatures (i.e., 200, 350, and 500 °C), denoted as CuO-200, CuO-350, and CuO-500, respectively. All CuO nanoparticles have different shapes and sizes that are connected in a chain which impact the amorphous phase and the roughness of the surface, proven by the structural and the morphological analyses. It was found that the PCGE consisting of CuO-350 exhibited the highest ionic conductivity of 2.54 mS cm−1 and apparent diffusion coefficient of triiodide of 1.537 × 10−4 cm2 s−1. The enhancement in the electrochemical performance of the PCGEs is correlated with the change in shape (rod to sphere) and size of CuO particles which disrupted the structural order of the polymer chain, facilitating the redox couple transportation. Additionally, a DSSC was fabricated and achieved the highest power conversion efficiency of 7.05% with JSC of 22.1 mA cm−2, VOC of 0.61 V, and FF of 52.4%. [ABSTRACT FROM AUTHOR]

We investigated how different doses of microwave irradiation (MR) affect seed germination in Sorghum, including the level of remediation against textile and surgical wastewater (WW) by modulating biochemical and morpho-physiological mechanisms under glutamic acid (GA) application. The experiment was conducted to determine the impact of foliar-applied GA on Sorghum under wastewater conditions. Plants were treated with or without microwave irradiation (30 s, 2.45 GHz), GA (5 and 10 mM), and wastewater (0, 25, 50, and 100). Growth and photosynthetic pigments were significantly decreased in plants only treated with various concentrations of WW. GA significantly improved the plant growth characteristics both in MR-treated and -untreated plants compared with respective controls. HMs stress increased electrolyte leakage (EL), hydrogen peroxide (H2O2), and malondialdehyde (MDA) content; however, the GA chelation significantly improved the antioxidant enzymes activities such as ascorbate oxidase (APX), superoxide dismutase (SOD), peroxidase (POD), and catalase (CAT) both in MR-treated and -untreated plants under WW stress compared with respective controls. The results suggested that the MR-treated plants accumulate higher levels of HMs under GA addition in comparison to the WW-only-treated and MR-untreated plants. The maximum increase in Cd accumulation was observed in the range of 14–629% in the roots, 15–2964% in the stems, and 26–4020% in the leaves; the accumulation of Cu was 18–2757% in the roots, 15–4506% in the stems, and 23–4605% in the leaves; and the accumulation of Pb was 13–4122% in the roots, 21–3588% in the stems, and 21–4990% in the leaves under 10 mM GA and MR-treated plants. These findings confirmed that MR-treated sorghum plants had a higher capacity for HMs uptake under GA and could be used as a potential candidate for wastewater treatment. [ABSTRACT FROM AUTHOR]

Since atomically thin two-dimensional (2D) graphene was successfully synthesized in 2004, it has garnered considerable interest due to its advanced properties. However, the weak optical absorption and zero bandgap strictly limit its further development in optoelectronic applications. In this regard, other 2D materials, including black phosphorus (BP), transition metal dichalcogenides (TMDCs), 2D Te nanoflakes, and so forth, possess advantage properties, such as tunable bandgap, high carrier mobility, ultra-broadband optical absorption, and response, enable 2D materials to hold great potential for next-generation optoelectronic devices, in particular, mid-infrared (MIR) band, which has attracted much attention due to its intensive applications, such as target acquisition, remote sensing, optical communication, and night vision. Motivated by this, this article will focus on the recent progress of semiconducting 2D materials in MIR optoelectronic devices that present a suitable category of 2D materials for light emission devices, modulators, and photodetectors in the MIR band. The challenges encountered and prospects are summarized at the end. We believe that milestone investigations of 2D materials beyond graphene-based MIR optoelectronic devices will emerge soon, and their positive contribution to the nano device commercialization is highly expected. [ABSTRACT FROM AUTHOR]

Field-effect transistors (FET) composed of transition metal dichalcogenide (TMDC) materials have gained huge importance as biosensors due to their added advantage of high sensitivity and moderate bandgap. However, the true potential of these biosensors highly depends upon the quality of TMDC material, as well as the orientation of receptors on their surfaces. The uncontrolled orientation of receptors and screening issues due to crossing the Debye screening length while functionalizing TMDC materials is a big challenge in this field. To address these issues, we introduce a combination of high-quality monolayer WSe2 with our designed Pyrene-based receptor moiety for its ordered orientation onto the WSe2 FET biosensor. A monolayer WSe2 sheet is utilized to fabricate an ideal FET for biosensing applications, which is characterized via Raman spectroscopy, atomic force microscopy, and electrical prob station. Our construct can sensitively detect our target protein (streptavidin) with 1 pM limit of detection within a short span of 2 min, through a one-step functionalizing process. In addition to having this ultra-fast response and high sensitivity, our biosensor can be a reliable platform for point-of-care-based diagnosis. [ABSTRACT FROM AUTHOR]

Arsenic in water bodies has increased to toxic levels and become a major issue worldwide. Among various treatment methods, the removal of As from polluted water with low-cost and environmental-friendly sorbents such as biochar is considered a promising technique nowadays. In a recent experiment, the treatment of As-contaminated water using egg shell biochar was studied. Various parameters affecting the sorption, such as pH, contact time, sorbent dose, As(V) concentration and the effects of anions, were also examined. The results revealed that at a pH of 4.5, a maximum sorption of 6.3 mg g−1 was observed, and the As(V) removal was 96% with an As concentration of 0.6 mg L−1 and a sorbent dose of 0.9 g L−1. At a contact time of 2 h (120 min), a maximum sorption of 6.3 mg g−1 was noted with a removal percentage of 96%. The sorption of As(V) was obtained at an optimal sorbent dose of 0.9 g L−1. The SEM-EDS data illustrated that biochar consisted of a large number of active sites for As(V) adsorption, and As appeared on the biochar surface after the sorption experiments. Moreover, XPS analyses also confirmed the presence of As(V) on the biochar surface after treatment with As-contaminated water. In a nutshell, the results of this study demonstrate that egg shell biochar has notable efficiency in the removal of As(V) from aqueous solution and that egg shell biochar could be a cost-effective and environmental-friendly sorbent for the treatment of As(V)-contaminated water, specifically in developing countries. [ABSTRACT FROM AUTHOR]

Due to the multifaceted pharmacological activities of chalcones, these scaffolds have been considered one of the most privileged frameworks in the drug discovery process. Structurally, chalcones are α, β-unsaturated carbonyl functionalities with two aryl or heteroaryl units. Amongst the numerous pharmacological activities explored for chalcone derivatives, the development of novel chalcone analogs for the treatment of Alzheimer's disease (AD) is among the research topics of most interest. Chalcones possess numerous advantages, such as smaller molecular size, opportunities for further structural modification thereby altering the physicochemical properties, cost-effectiveness, and convenient synthetic methodology. The present review highlights the recent evidence of chalcones as a privileged structure in AD drug development processes. Different classes of chalcone-derived analogs are summarized for the easy understanding of the previously reported analogs as well as the importance of certain functionalities in exhibiting cholinesterase inhibition. In this way, this review will shed light on the medicinal chemistry fraternity for the design and development of novel promising chalcone candidates for the treatment of AD. [ABSTRACT FROM AUTHOR]

An effective technique was proposed for the synthesis of novel α-aminophosphonates: a three-component one-pot condensation reaction of aniline, aromatic aldehydes, and triphenyl phosphite in the presence of (MIL-100(Fe)) as a heterogeneous catalyst. Initially, MIL-100(Fe) was synthesized using H3BTC and ferric nitrate at low temperature and atmospheric pressure. Further, MIL-100(Fe) was characterized using various techniques such as XRD, BET surface area, scanning electron microscopy (SEM), Fourier-transform infrared (FT-IR), and thermogravimetric analysis (TGA). Herein, MIL-100(Fe) showed exceptional catalytic performance for the synthesis of α-aminophosphonate and its derivatives compared with conventional solid catalysts, and even homogeneous catalysts. The study demonstrated that MIL-100(Fe) is an ecofriendly and easily recyclable heterogeneous catalyst in Kabachnick reactions for α-aminophosphonate synthesis, with high yield (98%) and turnover frequency (TOF ~ 3.60 min−1) at room temperature and a short reaction time (30 min). [ABSTRACT FROM AUTHOR]

Light-driven heterogeneous photocatalysis has gained great significance for generating solar fuel; the challenging charge separation process and sluggish surface catalytic reactions significantly restrict the progress of solar energy conversion using a semiconductor photocatalyst. Herein, we propose a novel and feasible strategy to incorporate dihydroxy benzene (DHB) as a conjugated monomer within the framework of urea containing CN (CNU-DHBx) to tune the electronic conductivity and charge separation due to the aromaticity of the benzene ring, which acts as an electron-donating species. Systematic characterizations such as SPV, PL, XPS, DRS, and TRPL demonstrated that the incorporation of the DHB monomer greatly enhanced the photocatalytic CO2 reduction of CN due to the enhanced charge separation and modulation of the ionic mobility. The significantly enhanced photocatalytic activity of CNU–DHB15.0 in comparison with parental CN was 85 µmol/h for CO and 19.92 µmol/h of the H2 source. It can be attributed to the electron–hole pair separation and enhance the optical adsorption due to the presence of DHB. Furthermore, this remarkable modification affected the chemical composition, bandgap, and surface area, encouraging the controlled detachment of light-produced photons and making it the ideal choice for CO2 photoreduction. Our research findings potentially offer a solution for tuning complex charge separation and catalytic reactions in photocatalysis that could practically lead to the generation of artificial photocatalysts for efficient solar energy into chemical energy conversion. [ABSTRACT FROM AUTHOR]

Over recent decades, much attention has been given to imply the natural products in cancer therapy alone or in combination with other established procedures. Insects have a rich history in traditional medicine across the globe, which holds promise for the future of natural product drug discovery. Cecropins, peptides produced by insects, are components of a defense system against infections and are well known to exert antimicrobial and antitumor capabilities. The present study aimed to investigate, for the first time, the role of curcumin in enhancing the anticancer effect of Musca domestica larval hemolymph. Third larval instars of M. domestica were injected with curcumin and the hemolymph was picked at 4, 8, and 24 h post-curcumin injection. M. domestica cecropin A (MdCecA) was evaluated in control and injected larval hemolymphs. The cytotoxicity on breast cancer cell lines (MCF-7) and normal Vero cells was assessed to be comparable to control larval hemolymph. Curcumin-injected larval hemolymphs exhibited significant cytotoxicity with respect to the uninjected ones against MCF-7; however, Vero cells showed no cytotoxicity. The IC50 was 106 ± 2.9 and 388 ± 9.2 μg/mL for the hemolymphs of injected larvae at 4 and 8 h, respectively, while the control larval hemolymph revealed the IC50 of >500 μg/mL. For mechanistic anticancer evaluation, concentrations of 30, 60, and 100 μg/mL of curcumin-injected larval hemolymphs were examined. A significant G2/M cell cycle arrest was observed, confirming the anti-proliferative properties of hemolymphs over the tested concentrations. The MdCecA transcripts were significantly (p < 0.05) upregulated at 4 and 8 h post-injection, while a significant downregulation was observed after 24 h. Cecropin quantification by LC–MS revealed that MdCecA peptides have the highest expression in the hemolymph of the treated larvae at 8 h relative to the control group. The upregulation of cecropin expression at mRNA and protein levels may be attributed to the curcumin stimulation and linked to the increased cytotoxicity toward the cancer cell line. In conclusion, the results suggest that the apoptotic and anti-proliferative effects of M. domestica hemolymph on MCF-7 cells following the curcumin injection can be used as a natural candidate in future pharmaceutical industries. [ABSTRACT FROM AUTHOR]

At present, the potential role of the AgNPs/endo-fullerene molecule metal nano-composite has been evaluated over the biosystems in-vitro. The intra-atomic configuration of the fullerene molecule (C60) has been studied in-vitro for the anti-proliferative activity of human breast adenocarcinoma (MDA-MB-231) cell lines and antimicrobial activity against a few human pathogens that have been augmented with the pristine surface plasmonic electrons and antibiotic activity of AgNPs. Furthermore, FTIR revealed the basic vibrational signatures at ~3300 cm−1, 1023 cm−1, 1400 cm−1 for O-H, C-O, and C-H groups, respectively, for the carbon and oxygen atoms of the C60 molecule. NMR studies exhibited the different footprints and magnetic moments at ~7.285 ppm, explaining the unique underlying electrochemical attributes of the fullerene molecule. Such unique electronic and physico-chemical properties of the caged carbon structure raise hope for applications into the drug delivery domain. The in-vitro dose-dependent application of C60 elicits a toxic response against both the breast adenocarcinoma cell lines and pathogenic microbes. That enables the use of AgNPs decorated C60 endo fullerene molecules to design an effective anti-cancerous drug delivery and antimicrobial agent in the future, bringing a revolutionary change in the perspective of a treatment regime. [ABSTRACT FROM AUTHOR]

In this research work, our aim is to use the fast algorithm to solve the Rayleigh–Stokes problem for heated generalized second-grade fluid (RSP-HGSGF) involving Riemann–Liouville time fractional derivative. We suggest the modified implicit scheme formulated in the Riemann–Liouville integral sense and the scheme can be applied to the fractional RSP-HGSGF. Numerical experiments will be conducted, to show that the scheme is stress-free to implement, and the outcomes reveal the ideal execution of the suggested technique. The Fourier series will be used to examine the proposed scheme stability and convergence. The technique is stable, and the approximation solution converges to the exact result. To demonstrate the applicability and viability of the suggested strategy, a numerical demonstration will be provided. [ABSTRACT FROM AUTHOR]

Among chemical water pollutants, Cr(VI) is a highly toxic heavy metal; solar photocatalysis is a cost-effective method to reduce Cr(VI) to innocuous Cr(III). In this research work, an efficient and economically feasible ZnO/CuO nanocomposite was grafted onto the polyester fabric ZnO/CuO/PF through the SILAR method. Characterization by SEM, EDX, XRD, and DRS confirmed the successful grafting of highly crystalline, solar active nanoflakes of ZnO/CuO nanocomposite onto the polyester fabric. The grafting of the ZnO/CuO nanocomposite was confirmed by FTIR analysis of the ZnO/CuO/PF membrane. A solar photocatalytic reduction reaction of Cr(VI) was carried out by ZnO/CuO/PF under natural sunlight (solar flux 5–6 kW h/m2). The response surface methodology was employed to determine the interactive effect of three reaction variables: initial concentration of Cr(VI), pH, and solar irradiation time. According to UV/Vis spectrophotometry, 97% of chromium was removed from wastewater in acidic conditions after four hours of sunlight irradiation. ZnO/CuO/PF demonstrated reusability for 11 batches of wastewater under natural sunlight. Evaluation of Cr(VI) reduction was also executed by complexation of Cr(VI) and Cr(III) with 1, 5-diphenylcarbazide. The total percentage removal of Cr after solar photocatalysis was carried out by AAS of the wastewater sample. The ZnO/CuO/PF enhanced the reduction of Cr(VI) metal from wastewater remarkably. [ABSTRACT FROM AUTHOR]

Diffusion dialysis (DD) using anion exchange membranes (AEM) is an effective process for acid recovery and requires the preparation of suitable materials for AEMs, characterized by unique ions transport properties. In this work, novel AEMs composed of quaternized diaminobutane (QDAB) and poly(vinyl alcohol) (PVA) were cross-linked by tetraethoxysilane (TEOS) via the sol–gel process. The prepared AEMs were systematically characterized by Fourier-transform infrared (FTIR) spectroscopy, ion-exchange capacity (IEC) analysis, thermo gravimetric analysis (TGA), water uptake, linear expansion ratio (LER), and mechanical strength determination, scanning electron microscopy (SEM), and DD performance analysis for acid recovery using a hydrochloric acid/iron chloride (HCl/FeCl2) aqueous mixture and varying the QDAB content. The prepared AEMs exhibited IEC values between 0.86 and 1.46 mmol/g, water uptake values within 71.3 and 47.8%, moderate thermal stability, tensile strength values in the range of 26.1 to 41.7 MPa, and elongation from 68.2 to 204.6%. The dialysis coefficient values were between 0.0186 and 0.0295 m/h, whereas the separation factors range was 24.7–44.1 at 25 °C. The prepared membranes have great potential for acid recovery via diffusion dialysis. [ABSTRACT FROM AUTHOR]