📄 chemistry

MolGPT-assisted exploration of VEGFR2-related chemical space through virtual screening, experimental bridging, and molecular dynamics simulation

This study presents a comprehensive workflow integrating MolGPT-based generative design, machine learning, and computational simulations to prioritize VEGFR2 inhibitors, which was experimentally validated by testing accessible surrogate compounds that ultimately failed to confirm the predicted activity or binding mechanisms.

Taiying Li, Shuning Diao, Yuxiang He, Shengzhen Hou, Jinping Zhang2026-10-07
📄 chemistry

Solvothermal Engineering: A Universal Route to High-Performance Free- standing PEDOT:PSS Thick Films

This study demonstrates that a universal solvothermal engineering approach using common organic solvents (MeOH, DMF, and DMSO) significantly enhances the electrical conductivity of free-standing PEDOT:PSS thick films to over 2400 S cm⁻¹ and boosts their volumetric capacitance to 251 F cm⁻³ through synergistic structural and electronic optimizations.

Jiawei Wu, Wanying Zhang, Zhen Su, Tao Chen, Wentao Wang, Jiayi Zeng, Yingzhi Jin, Jiaxing Song, Lin Hu, Xinxing Yin, Er (…)2026-10-07
📄 chemistry

Cobalt stearate-modified Fe3O4 : a new magnetic metal-surfactant nano-catalyst for the sustainable in-water synthesis of pyrazole derivatives

This paper reports the design and application of a novel Fe3O4/cobalt stearate nano-catalyst that leverages magnetic properties and surfactant-induced hemi-micellar formation to enable the efficient, reusable, and solvent-free synthesis of various pyrazole derivatives in water.

Fatemeh Tamaddon, Bahar Zare-Banadkouki, Ehsan Ahmadi-AhmadAbadi, Amir-Abbas Jahangiri2026-10-07
📄 chemistry

Utilizing low-melting-point oxides for high-temperature solid state reaction to enhance the upconversion luminescence intensity

This study demonstrates that adding low-melting-point oxides like Sb₂O₃ during high-temperature solid-state sintering significantly enhances upconversion luminescence intensity in Sb-Ta-O:Er³⁺/Yb³⁺ phosphors by promoting crystal growth and forming a porous, multi-phase structure, thereby enabling their application in temperature sensing and displays.

Changhao Yu, Yongze Cao, Mengxue Cao, Xu Liu, Jinsu Zhang, Xiangping Li, Danyang Wu, Baojiu Chen2026-10-07
📄 chemistry

Hierarchical carbon-encapsulated FeCo Alloy nanoparticles bridging N-doped graphene nanoribbons for efficient bifunctional oxygen electrocatalysis and rechargeable Zn-air batteries

This study reports a noble-metal-free hierarchical FeCo@C/N-GNRs composite, featuring carbon-encapsulated FeCo alloy nanoparticles bridging N-doped graphene nanoribbons, which exhibits superior bifunctional oxygen electrocatalysis and enables high-performance, flexible rechargeable Zn-air batteries.

chao cheng, Yongqiang ming, Luping Liu, Yunjian Liu, Juan Yang2026-10-07
📄 chemistry

Influence of Chemical Activation on the Structural and Electrochemical Properties of Calophyllum inophyllum Shell-Derived Porous Carbon for Supercapacitor Application

This study demonstrates that chemical activation of *Calophyllum inophyllum* shell waste, particularly with NaOH, effectively produces high-performance porous carbon electrodes with optimized pore structures and superior electrochemical properties for sustainable supercapacitor applications.

Catherine Varghese, A. V Jhone Verjhula2026-10-07
📄 chemistry

Azithromycin Salt/Cocrystal with Glycine and Acetamide for Superior Drug Performance: Experimental, Characterization and DFT Study

This study successfully developed and characterized an azithromycin-glycine salt and an azithromycin-acetamide cocrystal using solvent evaporation, demonstrating through experimental analysis and DFT calculations that these new solid forms exhibit superior physicochemical properties, solubility, dissolution rates, and antimicrobial efficacy compared to pure azithromycin.

Noor Ul Islam, Habib Ullah, Zakir Zaman Khan, Muhammad Zahoor, Muhammad Naveed Umar, Saeed Rehman, Aref Alshameri2026-10-07