VOLUME 48, NO2, APR-2026

CO2 Reduction Reaction to Create CH4 and CH3OH on Chromium Doped Silicon, Carbon and Boron Nitride (2Cr-Si76, 2Cr-C76 and 2Cr-B38N38)

: Here, the pathways for CO2 reduction reaction to create CH4 and CH3OH on Si76, C76 and B38N38 as catalysts are investigated. The effects of adsorption of Cr on capacities of Si76, C76 and B38N38 for CO2-RR are examined. Results shown that the over-potential of CO2-RR on 2Cr-Si76, 2Cr-C76 and 2Cr-B38N38 are lower than Fe, Ni and Co single atom as catalysts, Cu, Au, Ag based bimetallic catalysts and Pt and Pd as metal catalysts in previous works. The ΔGreaction of possible reaction steps of CO2 reduction on 2Cr-Si76 and 2Cr-B38N38 nanocages are more negative than 2Cr-C76 nanocage. The over-potential for production of CH4 and CH3OH are lower than creation of HCOOH and HCHO on 2Cr-Si76, 2Cr-C76 and 2Cr-B38N38 nanocages. The over-potential for CO, HCOOH, HCHO, CH3OH and CH4 production on 2Cr-B38N38 nanocage is 0.34, 0.27, 0.31, 0.24 and 0.22 V. The 2Cr-Si76 and 2Cr-B38N38 are catalyzed the reaction steps of CO2-RR by three pathways and high performance.read more

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Huaying Gao, Xinxin Li and Chun Xiang

Formulation of KT-Encapsulated Niosomes to Improve Behavioral Responses in Preclinical Models

bioavailability, drug stability, and therapeutic efficacy. In this study, a non-ionic surfactant (D1) was synthesized and characterized employing advanced techniques, including NMR and EI-MS, to elucidate its structure. D1 and lignin were employed as ketamine (KT) carriers for the preparation of two formulations, designated as KD1 and KL1, respectively. Characterisation techniques, like UV-Vis spectroscopy, FT-IR spectroscopy, and dynamic light scattering (DLS), were employed to examine the properties of formulations, such as their interactions, size in solution, polydispersity index (PDI), and particle charge. KD1 and KL1 showed outstanding drug encapsulation efficiencies (EE) of 75.0% and 80.1%, respectively. The results demonstrate the potential of these formulations for efficient delivery of KT. Moreover, the behavioral studies, including the Elevated Plus Maze (EPM) test, Social Interaction Test (SIT), and Open Field Test (OFT), were performed on rats for examining anxiety-like symptoms induced by exposure to electric shock to evaluate their therapeutic potential. The findings demonstrated that rats subjected to electric shock alone experienced considerable anxiety-like behaviors, such as less social engagement with new cage-mates and less exploration of open-arm and open arena apparatus. However, these anxiety symptoms were successfully reduced by treatment with the nanoformulations (KD1 and KL10. This suggests that the prepared formulations of KD1 and KL1 have promising potential to treat anxiety conditions. Furthermore, KD1 and KL1 were examined for drug retention using a Storage Stability (SS) study conducted over 30 days. The SS for KD1 and KL1 ranged from 96.4% to 88.04% and from 97.1% to 89.94% from the 1st to the 30th day, respectively.read more

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Muhammad Iqbal Afridi, Kausar Amir, Abdul Jabbar, Aziz Balouch and Sirajuddin

Comparative Analysis and Optimization of Machine Learning Algorithms for Prediction of Adsorption Energy of Methane Related Species on Cu-based Alloys

Machine Learning (ML)has helped to accelerate research and innovation in multifarious domains. In this study, ML models have been used to predict adsorption energies of Methane Related Species on Cu-based Alloy. Comparative study of different ML algorithms integrated with GA were performed to improve the ML model’s architecture and parameters selection. The results proposed that Categorical boosting (Catboost) model with RMSE = 0.0977, CC = 96.5 % outperformed all other models and effectively predicts adsorption energies. The partial dependence plots (PDPs) analysis shows the potential effects of each influencing parameter impact on the prediction of the respective adsorption energies and as well as shows that how these factors will interact during oxidative coupling of methane (OCM). In addition, SHAP analysis was employed to further interpret the contribution of individual descriptors to adsorption energies, allowing for the identification of key factors such as electronegativity, atomic radius, ionization energy, and surface energy. These insights highlight how dopant selection alters catalytic performance, demonstrating the ability of ML not only to provide accurate predictions but also to generate design-relevant knowledge. Overall, this approach provides a reliable and efficient methodology for reducing experimental screening and accelerating the discovery of promising Cu-based alloy catalysts for methane conversion.read more

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Haseeb Ahmad, Iftikhar Ahmad, Qazi Ahmed and Meshal Shutaywi

Modified Preparation of TiO2/BaSO4 Composite and Its Effects on PVC: Photodegradation, Flame-retardant and Mechanical Properties

This study demonstrates a streamlined sol-gel strategy for synthesizing TiO2 modified BaSO4 composite particles, aiming to enhance the UV resistance, flame-retardant, and mechanical properties of PVC. The composite was systematically characterized using FT-IR, XRD, SEM, and laser particle size analysis. Results revealed that a TiO2 molar ratio (nTi) of 2.0 mol yielded the most uniform particle size distribution (256-713 nm), along with a maximum settling time of 28.5 h and an activation degree of 82.8 %, which represented increases of 26.0 h and 49.5 %, respectively, over unmodified BaSO4. When incorporated into PVC at 15 wt%, the composite significantly improved material performance: the limiting oxygen index (LOI) reached 27.6 %, Rhodamine B (RhB) photodegradation efficiency attained 70.2 %, and peel strength increased to 151.52 N·mm⁻1, exceeding unmodified PVC by 23.36 N·mm⁻1. Moreover, after 150 h of UV aging, the composite reinforced PVC retained superior mechanical integrity, with only 18.64 % loss in tensile strength and 10.32 % in peel strength. These findings confirm that the TiO2/BaSO4/PVC composite developed here offers a promising combination of enhanced durability and flame-retardant performance.read more

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Qiang Yang, Wei Gong, Chunsheng Zhou and Xiaowei Cui

Investigation of the Effect of CNT on Spectroscopic, Thermal and Electrical Conductivity Properties of PVC-PMMA Blend

In this study, the effect of carbon nanotubes (CNT) on the spectroscopic, thermal and electrical properties of poly(vinyl chloride)-poly(methyl methacrylate) (PVC-PMMA) nanocomposite prepared by adding 0.1, 0.5, and 1% multi-walled carbon nanotubes (MWCNT) was investigated. For this purpose, nanocomposites containing 60% PVC were prepared by the solution casting method using tetrahydrofuran (THF) as solvent. Scanning electron microscopy (SEM) imaging showed that the polymer matrix had sufficiently homogeneous distribution of CNTs and that they were in good interaction. X-ray diffraction (XRD) analyses showed that the nanocomposites had an amorphous structure with approximately 15% crystallinity and CNT addition did not change the amorphous structure. From TGA analyses, CNTs had no effect on the thermal stability of the nanocomposites. The nanocomposites decomposed in three steps, similar to PMMA-PVC blends. The first stage of decomposition started at 194 ℃, the second stage at 224 ℃ and the third stage at 349 ℃. The decomposition ended at around 474 ℃ with a mass loss of approximately 90%. According to the data obtained from differential scanning calorimeter (DSC) analyses, although the CNT addition increased the glass transition temperature of the nanocomposites, it did not have a major effect. The Tg of the PMMA-PVC blend and nanocomposites was determined to be between 62 and 66 ℃. The electrical conductivity curve showed that the nanocomposites reached a value close to the ideal percolation curve by increasing the CNT amount, and it was evaluated that CNT addition at rates above 1% may convert the nanocomposites into semiconductors.read more

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Afsar CELIK and Mustafa Hamdi KARAGÖZ

Synthesis, Characterization and DNA Interaction Activities of the Peripherally Tetra Diethyl (phenyl)malonate Substituted Zn(II) and Co(II) Phthalocyanine Complexes

The peripherally tetra-substituted zinc (II) and cobalt (II) phthalocyanine complexes containing diethyl 3,4-dicyanophenylmalonate were synthesized and charaterized. These newly synthesized complexes have been described by utilizing FT-IR and UV/Vis procedures. Electronic absorption, fluorescence, melting denaturation, viscosity and electrophoresis procedures were applied to evaluate the interaction mechanism of tetra substituted 4 and 5 complexes with CT-DNA. Electronic spectra and emission experiments confirmed that 4 and 5 interact substantially by CT-DNA. The binding constant values for 4 and 5 were determined as 1.87 x106 M-1 and 1.64 x106 M-1, respectively. Kb data disclosed that the complexes attach to DNA through an intercalative binding mechanism. The results obtained from melting point technique also confirmed that the attachment of 4 and 5 complexes to DNA is an intercalative manner. In addition to above techniques, electrophoresis and viscosity technique were utilized to explain interaction features of 4 and 5 complexes with DNA. The findings obtained from viscosity and electrophoresis procedures demonstrated that the complexes interact with the DNA. All the data verified that 4 and 5 complexes may have a potential anticancer featuresread more

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Ali Arslantaş and Mehmet S. Ağırtaş

Regio- and Enantioselective Catalytic Iodoalkoxylation of Styrene Derivatives with Unsaturated C3-Alcohols

The synthesis of unsaturated β-iodoethers remains a significant challenge in modern organic chemistry. Three-component synthesis is a highly relevant approach for obtaining these compounds. The primary objective of this study was to develop a process where the triple bond of the reagent is preserved while iodine addition is selectively directed to the double bond of substituted styrenes. This work represents the first successful attempt to perform this reaction in an enantioselective manner. The iodoalkoxylation of substituted styrenes with unsaturated C3-alcohols (propargyl and allyl) in the presence of diisopinocampheylborane leads to the formation of regio- and enantiomerically enriched iodoethers with yields of 57–63%. The synthesized compounds were characterized by (1H-NMR), (13C-NMR) and FTIR spectroscopy. The synthesis followed established methodologies and proceeded without significant complications.read more

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Gulahmad Mirahmad Talybov

Exploring The Nutritional Profile of Wild Mulberry Landraces Grown in Northern Pakistan: A Promising Dietary Option

The rising demand for nutritious and functional foods has spurred interest in underutilized natural resources to enhance consumer nutritional security. This study investigates the nutritional and functional properties of fruits from five wild Wild mulberry landraces (WM1–WM5) collected from Gilgit, Pakistan. The fruits were analyazed for pH, soluble solids titratable acidity, moisture, protein, fibre, ash, ascorbic acid, total sugar, anthocyanins, flavonoids, carotenoids, total phenolics and antioxidants activity. Results indicated pH values ranging from 3.62- 6.79, total soluble solids at 14.14 –17.06 °Brix, titratable acidity between 0.17–0.28%, moisture content of 62.65–81.7%. Protein, fiber and ash content ranged from 0.85–1.66%, 6.83–10.88%, and 0.351–0.672%, respectively. Ascorbic acid levels varied between 12.41–21.09 mg/100 g, total sugars 5.7–9.86 mg/100 g, anthocyanins 9.72–12.27 mg/100 g, flavonoids 71.64–81.9 mg/100 g, carotenoids 0.65–1.04 mg/100 g, and total phenolics 16.35–31.29 mg/100 g. Antioxidant activity, measured as DPPH scavenging, ranged from 70.99–87%. These results are comparable with reported values of common edible mulberry. These findings underscore the nutritional and functional richness of wild mulberry fruits, presenting them as a promising resource for food and feed applications. The study provides critical baseline data to support the development of value-added products and establish a wild mulberry value chain, fostering socioeconomic growth in mountain communities.read more

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Sartaj Ali, Syed Munir Hussain, Azhar Hussain, Shamsher Ali and Douglas Law