chemistry papers | Gist.Science

Effect of Current Density and ZrO 2 Concentration on the Microstructure, Mechanical and Tribological Properties of Electro- co-deposited Cu-ZrO 2 Composite Coatings

This study demonstrates that electro-co-depositing Cu-ZrO₂ nanocomposite coatings on stainless steel at a current density of 4 A/dm² with a ZrO₂ concentration of 75 mg/L yields optimal mechanical and tribological properties, including maximum adhesion strength and minimum wear volume, due to enhanced particle incorporation, grain refinement, and coating compactness.

Krishna Kumar Sharma, Anshul Gangele, Premanand Singh Chauhan, Anupma Agarwal2026-09-23

📄 chemistry

Capillary-Condensation-Dominated Moisture Sorption in Triple-Ion Cross-Linked Composite Gels for Reusable and High-Capacity Humidity Regulation

This study develops a triple-ion (Na⁺, Li⁺, Ca²⁺) cross-linked P(AM-co-AANa)/CaCl₂/LiCl composite gel that leverages capillary condensation and synergistic ion regulation to achieve high-capacity, rapid, and regenerable humidity control while overcoming the traditional trade-offs between absorption capacity, anti-deliquescence, and cyclic stability.

Jialin Liu, Yuqian Chen, Xiaowang Lu, Haicun Yang, Junfeng Cheng, Dong Wang, Chunlin Liu, Zheng Cao2026-09-23

📄 chemistry

A Structure-Based Machine Learning Framework for Polymer Solar Cells: Prediction, Interpretation, and Virtual Screening

This study presents an interpretable machine learning framework trained on a comprehensive database of 5,797 polymer solar cell devices to predict power conversion efficiency from molecular structures, revealing that Y6-derived acceptors and halogenated benzodithiophene donors drive performance while guiding the virtual screening of over 2.2 million potential material combinations for rational design.

Yuan-Fang Lee, Yu-Hung Hsiao, Te-An Chen, Min-Hsuan Lee, Hsuan-Hung Liu, Ching-I Huang2026-09-23

📄 chemistry

Reactive-Intermediate Channelling from Interfacial Hydrogen Peroxide Generation to Confined Catalysis for Water Decontamination

This study introduces a reactive-intermediate channelling strategy using a PTFE@Cu/TS-1 catalyst to direct interfacially generated hydrogen peroxide from its formation site to confined catalytic domains, thereby preventing bulk diffusion and significantly enhancing water decontamination efficiency through localized oxidation.

Guozhu Chen, Rongyao Wang, Weixin Li, Haojing Yan, Huabin Lian, Xiaohua Ren, Weilin Guo, Feng Ru Fan2026-09-23

📄 chemistry

Polycyclic Aromatic Hydrocarbons (PAHs): Occurrence of Organic Pollutants in Edible Oils Commonly Consumed in Bangladesh

This study utilized GC-MS analysis to detect seven priority carcinogenic polycyclic aromatic hydrocarbons (PAHs) in Bangladeshi rice bran and mustard oils, revealing that while naphthalene was ubiquitous in all samples, only rice bran oil contained significant levels of chrysene and benzo[a]anthracene, whereas other targeted PAHs were either absent or below detection limits.

Abu Rayhan Mohammad Tareq, Amrita Saha Hashi, Md. Shamim Hossen, Sanjida Afrin, Ronia Sultana, A. K. M Atique Ullah, Qua (…)2026-09-23

📄 chemistry

SCOPE: From Shape and Color to Binding Affinity, with Confidence

The paper introduces SCOPE, a confidence-aware ensemble model that integrates 3D molecular shape and color representations with kernel-based methods to achieve robust and interpretable binding affinity predictions with quantified reliability across diverse protein targets.

Jingyi Chen, Chris Neale, Mireille Krier, Someina Khor, Anthony R. Bradley, A. Geoffrey Skillman, Shyamal K. Nath2026-09-23

📄 chemistry

Mineralogical and Geochemical Controls on the Sustainable Beneficiation of Hydrothermal Quartz from Egyptian Eastern Desert for advanced Applications

This study demonstrates that the hydrothermal quartz deposit at Marwit El Sweiqat in Egypt's Eastern Desert can be sustainably upgraded to high-purity quartz (exceeding 99.95 wt% SiO₂) suitable for advanced technologies through optimized dry high-intensity magnetic separation, thereby establishing it as a strategic global resource.

Mostafa. R. Abukhadra, Suzan S. Ibrahim, Ali Q. Seliem, M. G. Shahien, Sarah I. Othman, Ahmed A. Allam, Mabrouk Sami2026-09-23

📄 chemistry

Citrate-Regulated Fe(III)-Tannic Acid Assembly for Processable and Recoverable Self-Bonding Fiberboards

This study demonstrates that incorporating citrate into Fe(III)-tannic acid assemblies enables the production of high-performance, recoverable self-bonding fiberboards with superior mechanical strength, reduced water swelling, and lower VOC emissions compared to controls, while avoiding the premature aggregation issues typical of conventional metal-polyphenol systems.

Ruke Yao2026-09-22

📄 chemistry

Structural and Electronic Features of a Julolidine Schiff Base Revealed by X- ray Crystallography and DFT Calculations

This study elucidates the structural, supramolecular, and electronic properties of a novel hydroxy-substituted pyridoquinoline Schiff base through a comprehensive combination of X-ray crystallography, spectroscopic analysis, and DFT calculations, revealing its enol–imine tautomerism, hydrogen-bonded crystal packing, and potential applications in optoelectronics and coordination chemistry.

Md Shaklain, Abdullah Yahya Abdullah Alzahrani, Md. Serajul Haque Faizi2026-09-22

📄 chemistry

Theoretical Research on Zeolite-Supported In-situ Grown LDO for Fluoride Removal in High-Salinity Wastewater by Memory Reconstruction

This study develops a zeolite-supported MgAl-LDO composite adsorbent via in-situ growth and memory reconstruction, demonstrating significantly enhanced fluoride removal capacity and recyclability in high-salinity wastewater compared to pure LDO or acidified zeolite alone.

Ziyang Yue2026-09-22

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