The white mango scale insect Aulacaspis tubercularis (Newstead) (Hemiptera: Diaspididae), which causes defoliation, drying out of young twigs, dieback, poor flowering, and decreased fruit output, causes serious damage to mango trees in Egypt. Attacks on mango fruits result in pink imperfections that lower their value as a commercial and export item. The current report aims to support the development of integrated management plans to combat A. tuberculosis and to identify more effective, eco-friendly insecticides. The bug may cause a considerable decrease in mango production and jeopardize the sustainability of mango plantation production if no management measures are taken. Currently, the application of a small number of insecticides—the majority of which have poor performance and are disruptive is the primary method used to manage A. tubercularis. In order to suppress this insect, we created novel pesticides called insect growth regulators (N, N′-substituted benzamide derivatives). By using both traditional and elemental spectroscopic investigations (IR, 1HNMR, and 13CNMR), these synthesized compounds which are linked to the most well-known insect growth regulator insecticides had their structures validated. The findings showed that A. tubercularis nymphs were more responsive to the evaluated treatments than adult females. After one day of application, all tested treatments resulted in a sizable proportion of mortality; the percentage of mortality increased with time for both A. tubercularis nymphs and adult females. Furthermore, the treatment with compound 3b was more effective than other synthesized compounds, with a LC50 of 0.318 ppm against nymphs and a LC50 of 0.993 ppm against adult females of A. tubercularis. While the treatment with compound 5 was the least toxic for controlling this pest, many assessments are essential to studying the efficacy of these treatments on advantageous insects.

In this work, two organic materials as dyes, namely, methylene blue (MB) and methyl red (MR), have been proposed to play the role of the electron donor in organic photovoltaic (OPV) cells. We use the PCBM as a well-known electron acceptor. The density functional theory (DFT) method has been used to determine the electrostatic potential and the frontier molecular orbitals (FMO), of the methylene blue (MB) and the methyl red (MR) compounds. Nonlinear optical (NLO) descriptors have been determined for the two compounds. The potential energy surface analysis has been performed by the DFT method using the exchange and correlation of Becke, Lee, Yang, and Parr Gradient Corrected Functional (B3LYP) with the standard 6-31G(d) base. We have performed another theoretical study using quantum time-dependent density functional theory (TD-DFT) on both MB and MR as organic dyes to determine their UV-Vis spectra. The results of the energy gap, chemical hardness, dipole moment, and hyperpolarizability show that MB may be chemically more reactive Than MR. The present work has proposed a bilayer organic photovoltaic (OPV) cell to contribute to the valorization of the two dyes as solar materials. The developed photovoltaic cell project has used electrical and energetic parameters that can describe the OPV cell based on ([MB or MR]: PCBM). Open-circuit voltage (Voc), excitation energy, and oscillator strength have been theoretically determined. The results of the present work showed a remarkably high open circuit voltage, especially in the case of methyl red (1.55 V) more than in the case of the methylene blue (0.84 V) so that both of the two dyes can be a good candidate for organic solar cells.

The pandemic COVID-19 has been spreading around the globe from December 2019 onwards and is considered the most infectious disease of this century. To date, there is no effective drug against SARS-CoV-2 discovered by pharmaceutical scientists, and the research is going rigorously all over the world. In this work, we examined the interaction of the already existing antivirals (Lopinavir, Atazanavir, and Remdesivir) with the structural proteins of SARS-CoV-2 using computational methods. Pharmacophore modeling of these drugs was conducted using molecular databases to determine the lead compounds from molecular databases. Pharmagist Webserver and Zinc Molecular Database were used to find out the pharmacophore and lead compounds, respectively. The drug-likeness properties of the compounds were evaluated by the SwissADME webserver. In silico studies showed that the binding affinities of the drugs followed the order Remdesivir > Atazanavir > Lopinavir. Docking and pharmacological studies revealed the potency and drug-likeness of the synthetic molecules.

This review provides a comprehensive overview of the development and applications of conjugated polymer semiconductors. The review summarizes the current state of research in this field, including the synthesis and characterization of these materials, their properties, and potential applications. The scope covers a wide range of topics, including organic photovoltaics, organic field-effect transistors, and conjugated polymer nanoparticles. The main findings highlight the significant progress that has been made in this field, with conjugated polymers exhibiting favorable electronic and optical properties, as well as high charge mobility. These materials have shown great potential for use in various applications, including solar cells, light-emitting diodes, and field-effect transistors. The applications are far-reaching, with the potential to revolutionize the electronics industry by providing low-cost, flexible, and environmentally friendly alternatives to traditional inorganic materials. One of the key challenges facing this field is the need to improve the efficiency and stability of conjugated polymer-based devices. While significant progress has been made in this area, there is still much work to be done to develop materials and device architectures that can achieve high performance over extended periods of time. Another challenge is the need to develop scalable manufacturing processes that can produce large quantities of high-quality conjugated polymers at a reasonable cost. The continued advancement of this field holds great promise for the development of new technologies that can improve our lives and help to address some of the world’s most pressing challenges.

The study aimed to explore the anticancer efficacy of indazole pharmacophore by analyzing a series of 109 derivatives of indazole as Tyrosine Threonine Kinase (TTK) inhibitors through quantitative activity relationship analysis using 2D and 3D QSAR techniques. The best 2D-QSAR model was generated by the MLR method, showing a high correlation coefficient (r²) of 0.9512, and good internal (q²), and external (pred_r²) cross-validation regression coefficients of 0.8998, and 0.8661, respectively. The residual values were modest, indicating good agreement between the observed and predicted pIC50 values, which suggested that the chosen model was predictably accurate. The 3D QSAR model, built using the SWF kNN approach, displayed a high internal cross-validation regression coefficient (q²) of 0.9132. Essential structural features/considerations in developing indazole as prospective anticancer medicines have been suggested. The study provides a reliable and predictive model for the prediction of anticancer activity of indazole derivatives. The identified essential structural features/considerations may be useful for the development of prospective anticancer medicines.

2-Indolinone nucleus is considered one of a promising heterocyclic core in medicinal chemistry that showed numerous range of activity among which antimicrobial, antioxidant, antiviral, antitubercular and anticancer activities. Cancer targeting is still an issue so there is a need for developing new agents that inhibit cancer growth without or low effect on normal body cells. Some derivatives of indolin-2-one are known to be a critical structure in some inhibitors of receptor tyrosine kinases (RTKs); a cancer target therapy, for example, Sunitinib. Herein in this review we focus on 2-indolinone derivatives as RTKs inhibitors as cancer targeting therapy.

A pressurized liquid extraction (PLE) technique was evaluated in this study and optimized using response surface methodology (RSM) for the determination of polycyclic aromatic hydrocarbons and their nitro derivatives from diesel particulate matter. A central composite design (CCD) was applied for the study of three parameters (temperature, nature of solvent and static time) and the optimal conditions were determined for a time of 9 min and a temperature of 145 °C and dichloromethane as extraction solvent. With the GC/MS analytical technique, the limits of detection (LOD) obtained range from 0.3 to 1.5 µg.L-1 for PAHs and from 4.6 to 8 µg.L-1 for nitrated PAHs. Also, this method allowed excellent recoveries of NPAH adsorbed on diesel soot particles (R ≥ 90%) using a mixture of solvents (1% acetic acid in pyridine). The PLE process developed in this research is quantitative and reproducible while using much less solvent than conventional extraction methods.

In this research, the photocatalytic effect was studied for sol-gel synthesized Mn/Mg co-doped metal oxide (TiO2) nanoparticles (NPs), which are encapsulated with anionic Gemini surfactant. The physicochemical properties of Mn/Mg co-doped TiO2 were investigated using a variety of characterization techniques, FT-IR, UV Vis-DRS, XRD, SEM, EDX, TEM, BET and PL. Characterization results reveal that Mn/Mg dopants stabilize TiO2 in the form of anatase phase and reduce the bandgap energy. Presence of strong chemical bonding and functional groups at the interface of dopant and TiO2 NPs was confirmed with FT-IR. The photocatalytic activity of these catalysts was assessed by the degradation of Orange II (AO7) using visible light irradiation. Of the variable nanomaterials MMT5-GS2 showed remarkable results. The photoluminescence studies revealed that OH radicals are the reactive species and responsible for oxidative photocatalytic degradation of Orange II.