📄 chemistry

Evaluation of comfort properties of socks produced from different regenerated cellulosic yarns considering moisture management properties"

This study evaluates the moisture management and comfort properties of socks made from Viscose, Bamboo, and Tencel regenerated cellulosic yarns produced on 200n and 168n gauge machines, finding that while machine gauge had no significant impact, Tencel socks produced on the 200n gauge exhibited the best overall moisture management performance.

N. M. Elghandour2026-08-18
📄 chemistry

Towards practical molecular structure elucidation: A lightweight multi-spectral CNN-Transformer framework

This paper introduces a lightweight, plug-and-play hybrid CNN-Transformer framework that achieves state-of-the-art molecular structure elucidation directly from raw IR, Raman, and NMR spectral inputs without external knowledge, while providing mechanistic insights into spectral contributions and token-based generation strategies.

Qinghai Cui, Alvaro Cimas, Marie-Pierre Gaigeot2026-08-18
📄 chemistry

WITHDRAWN: Optimizing Electron-Beam Photothermal Pyrolysis Parameters for Enhanced Molecular Biodegradability of Polyvinyl Chloride (PVC) Plastics

This paper, titled "Optimizing Electron-Beam Photothermal Pyrolysis Parameters for Enhanced Molecular Biodegradability of Polyvinyl Chloride (PVC) Plastics," was withdrawn on August 18, 2026, due to methodological errors that compromised the reliability of its findings, leading to the retraction of its corresponding peer-reviewed article.

Rishika Porandla2026-08-18
📄 chemistry

Designing Functional Metal Complexes via a Schiff base From Disalicylaldehyde and Picolinohydrazide: A Short Review

This review critically evaluates the synthesis, characterization, and functional applications of metal complexes derived from a specific bis-hydrazone Schiff base ligand formed by disalicylaldehyde derivatives and picolinohydrazide, synthesizing findings from 35 studies to highlight their structure-property relationships in catalysis, sensing, and biological systems.

Asmit Patel, Anjali Dixit2026-08-18
📄 chemistry

Solvation Free Energy Descriptors from Density Functional Theory for Unified Retention Prediction of Flavonoids and Isoflavonoids

This study establishes a unified QSRR model capable of predicting the chromatographic retention of both flavones and isoflavones using a minimal set of two physically interpretable solvation free energy descriptors derived from density functional theory, thereby overcoming the traditional limitation of scaffold-specific models.

Yihan Sheng, Haitian Liu, Jianyan Li, Changhai Sun2026-08-15
📄 chemistry

Process Simulation and Reverse Optimization of Modified Biochar Adsorption of Salt and Minerals in Water: Prediction Model of Adsorption Efficiency Based on BP Neural Network

This study develops a modified iron-loaded biochar adsorbent and a BP neural network model optimized by particle swarm optimization to effectively predict and reverse-optimize process parameters for removing salts and minerals from high-salinity water, achieving 91.8% adsorption efficiency with demonstrated economic feasibility.

XiYue Gao2026-08-14
📄 chemistry

Design, Synthesis, Molecular Docking, and In Vitro Cytotoxic Evaluation of Novel Isoniazid-Tethered 1,3,4-Thiadiazole Derivatives as Potential Anticancer Agents

This study reports the design, synthesis, and evaluation of novel isoniazid-tethered 1,3,4-thiadiazole derivatives as potential HER2-targeting anticancer agents, identifying compound BVSBSN2C as the most potent cytotoxic candidate against MCF-7 breast cancer cells with an IC₅₀ of 53.21 µg/mL.

Brundha S N, Nayana Ravindra Jawale, Suma B V2026-08-14
📄 chemistry

Room-Temperature Resistive CO₂ Sensing with Ultrafast Recovery via NP-PSi/CuO/rGO Trilayer Heterojunction

This study presents a room-temperature resistive CO₂ sensor based on an NP-PSi/CuO/rGO trilayer heterojunction that achieves a sensing response of ~26.5% at 5.66 vol% CO₂ with an ultrafast recovery time of 3–7 seconds, representing a significant improvement in kinetics over existing technologies.

Jia-Chuan Lin, Jun-Hao Chen, Chien-Hong Wu, Hsu-Nan Yen, Kalpana Settu2026-08-14