📄 Category

chemistry

357 papers

📄 chemistry

Magnetic carbon aerogel catalyst for nitro reduction by a liquid organic hydrogen carrier, considering the effect of preparation method on catalytic activity

This study reports the synthesis and characterization of four magnetic CNT–Fe₃O₄ aerogel catalysts prepared via different methods, demonstrating that the optimized catalyst (D) effectively facilitates the transfer hydrogenation of various nitroarenes to anilines using isopropanol as a liquid organic hydrogen carrier while maintaining high reusability through magnetic separation.

Anahita Arastofar, Hossein Tavakol2026-07-10
📄 chemistry

Generative exploration of fragment-based chemical space via large language models enables the discovery of potent leads for targets lacking bioactive ligands

The paper introduces AutoLeadDesign, a novel lead-discovery framework that integrates large language model reasoning with fragment-based chemical exploration to generate potent, experimentally validated inhibitors for targets lacking bioactive ligands, such as SARS-CoV-2 PLpro and KRAS G12D, without requiring target-specific templates.

Bo Yang, hao tuo, Geng Qin, Beilei Shen, Haishi Zhao, Yan Li, Xuanning Hu, Feng Wei, Xueyan Liu2026-07-10
📄 chemistry

Emission Characteristics of a GDI Vehicle Fueled with Gasoline and E10 under Different Acceleration Rates

This study investigates how varying acceleration rates influence the particle emission characteristics of a China V-compliant GDI vehicle fueled with gasoline versus E10, revealing that E10's impact on particle number and mass is highly dependent on the acceleration profile while consistently producing soot with a higher degree of carbonization.

Omar I. Awad, Mohammed Kamil2026-07-10
📄 chemistry

Investigation of Polyethylene glycol‑Coated Serpentine Micro Gas Chromatography Columns for Volatile Organic Compounds Separation with Helium Carrier Gas

This study utilizes finite element analysis in COMSOL Multiphysics to demonstrate that longer, narrower polyethylene glycol-coated serpentine micro gas chromatography columns offer superior separation efficiency and resolution for volatile organic compounds using helium carrier gas, highlighting their potential for portable VOC analysis devices.

Abdullah2026-07-10
📄 chemistry

Trace hydroxypropyl methylcellulose induced physical crosslinking enables direct 3D printing of aqueous PEDOT:PSS

This study demonstrates that trace incorporation of hydroxypropyl methylcellulose (HPMC) induces physical crosslinking with PEDOT:PSS via hydrogen bonding, enabling direct 3D printing of high-performance, mechanically robust aqueous inks for wearable bioelectronics without compromising electronic transport.

Hengyi Ma, Mingyuan He, Teng Zhan, Kaiming Yang, Ruizhe Wang, Zhenhu Liang, Yingdan Liu, Hengda Sun, Kai Xu2026-07-10
📄 chemistry

Thermoanalytical and chemical study of the spray-dried extract of Momordica charantia Linn. collected in the Brazilian Amazon

This study characterizes the thermoanalytical properties and bioactive compounds of spray-dried *Momordica charantia* L. extract from the Brazilian Amazon, confirming the presence of momordicoside K and rutin while demonstrating that spray drying enhances thermal stability and supports the development of effective herbal pharmaceutical formulations.

Thiago Leite Silva, Alessandra Pantoja Lisboa, Ana Carolina Gomes Albuquerque de Freitas, Wandson Braamcamp Souza Pinhei (…)2026-07-10
📄 chemistry

Antibacterial activity analysis of Cu(II) complexes with amino acid Schiff bases based on electron distribution anisotropy

This study demonstrates that DFT-derived quadrupole-anisotropy descriptors, which capture global electronic characteristics of azobenzene-containing copper(II) complexes, exhibit a more robust and consistent correlation with antibacterial activity across species than molecular docking scores, offering a physically informed framework for rational antimicrobial design.

Mao Narita, Yuma Yamamoto, Daisuke Nakane, Takashiro Akitsu, Basavaraj Padmashali2026-07-10
📄 chemistry

A lamellar dense anode enabling high-energy, ultra-high-rate and durable sodium storage

This study presents a bismuth@carbon composite anode with a unique lamellar micro/nano-hierarchical structure that effectively manages volume expansion and facilitates rapid ion transport, enabling sodium-ion full cells to achieve record-breaking volumetric energy density, ultra-high-rate capability (30 C), and exceptional long-term durability (5000 cycles).

Zaiping Guo, Jianhai Pan, Zhefei Sun, Jiaming Zhang, Peng Ouyang, Huiping Yang, Xiaoyu Wu, Boyang Shi, Yurui Xing, Longb (…)2026-07-10
📄 chemistry

Synthesis, Characterization and DFT Modeling of New Small Fluorescent Organic Molecules Based on tert-Butyl Carbazole

This study synthesizes and characterizes two tert-butyl carbazole-based pyridine derivatives, demonstrating that increasing the number of donor groups systematically enhances thermal stability, modulates frontier orbital energies, and improves optical properties, thereby validating a donor–acceptor design strategy for organic electronics.

hanen jomaa, kamel alimi2026-07-10