📄 chemistry

High-Precision Modeling of Gas-Phase Density for the DME/HFC-134a Binary System Using Machine Learning

This study demonstrates that a Support Vector Regression model with a radial basis function kernel outperforms both other machine learning algorithms and classical cubic equations of state in accurately predicting the high-precision gas-phase density of the DME/HFC-134a binary system across a wide range of thermodynamic conditions.

Sadegh Sahraei, Mohammad Mahdi Tafarroj, Fatemeh Karami2026-09-10
📄 chemistry

Eco – Friendly Synthesis of Ag / Tio 2 Nanoparticles Using Beta Vulgaris Leaf Extract and Their Biomedical Applications

This study reports the eco-friendly synthesis of Ag/TiO2 nanoparticles using *Beta vulgaris* leaf extract, characterizing their structural properties and demonstrating their efficacy in degrading diclofenac sodium, exhibiting antioxidant and antimicrobial activities, and showing anticancer potential against MCF-7 cells.

SHALINI KRUBHA A, VELMURUGAN S, ARAVINDARAJ S2026-09-09
📄 chemistry

Optimization of Calcination Temperature for Superior Electrochemical Performance in Single-Crystal LiNi 0.6 Co 0.2 Mn 0.2 O 2

This study demonstrates that synthesizing single-crystal LiNi0.6Co0.2Mn0.2O2 via a molten salt process at 950°C yields superior electrochemical performance, including high specific discharge capacities and excellent cycling stability, compared to samples prepared at 900°C or 1000°C.

Xinxin Zhao, Haodong Li, Yao Wang, Qixuan Ruan, Qi Sun, Jinmeng Yao, Xiaoyan Yan, Xiaohua Zhang2026-09-09
📄 chemistry

A Comparative Evaluation of Sample Selection Algorithms for Multivariate Calibration in Near-Infrared Spectroscopic Analysis of Pharmaceutical Formulations

This study demonstrates that the Kennard–Stone algorithm, evaluated via Gaussian process regression on paracetamol tablet NIR spectra, outperforms other sample selection methods in generating robust multivariate calibration models, as confirmed by superior predictive statistics and rigorous non-parametric testing.

Amanita Sow, Harouna Sangaré, Fadaba Danioko, Tidiane Diallo2026-09-09
📄 chemistry

Eco-Conscious Synthesis of a Starch-Magnetic Hydrogel for Effective Methylene Blue Decontamination in Wastewater Treatment

This study demonstrates the eco-friendly synthesis of a novel magnetic starch-based hydrogel from Peruvian potato starch that effectively and sustainably removes methylene blue from wastewater through high-capacity, reusable, and magnetically recoverable adsorption.

Anibal Alviz-Meza, Silvia Alvarez-Torrellas, Ysabel Huaccallo-Aguilar, María Verónica Carranza-Oropeza, Juan Manuel Garr (…)2026-09-09
📄 chemistry

Magnetic Field–Induced Modulation of the Physicochemical Properties of Water

This study demonstrates that brief exposure to dynamic magnetic fields (0.6 T and 1.2 T) significantly modulates water's physicochemical properties by decreasing pH, substantially increasing electrical conductivity and oxidation-reduction potential, and altering dissolved oxygen levels, likely through the reorganization of hydrogen bonding and charge distribution.

Elchin Khalilov, Min Zhao, Safi Asim Bin Asif, Farid Elchin Khalilov, Wang Min, Xu Nuo2026-09-09
📄 chemistry

Biomimetic Setaria viridis-Inspired Co3O4/CoS Hierarchical Architecture on Carbon Cloth for Advanced Lithium Storage

This paper reports the successful fabrication of a biomimetic *Setaria viridis*-inspired Co3O4/CoS hierarchical architecture on carbon cloth via hydrothermal synthesis and electroprecipitation, which significantly enhances lithium storage performance by mitigating volume expansion and improving conductivity to deliver high specific capacity, excellent rate capability, and superior cycling stability.

Peng Lv, Zhiyang Gao, Tantan luo, Kuo Wang, Sheng Lin, Ming Hu, Meili Qi2026-09-09
📄 chemistry

Controlled Synthesis of Hybrid Carbon Allotropes with Tunable Size and Photoluminescent Properties

This paper reports the controlled synthesis of hybrid carbon nanostructures with tunable size and photoluminescent properties, formed by the thermal transformation of organic molecules on metal nanoparticle templates, which feature a unique sp¹/sp² hybrid structure with localized nitrogen interfaces and offer a scalable route for tailoring carbon-based nanomaterials.

Alessandro La Torre2026-09-09
📄 chemistry

Topology-Audited Computational Screening of Single-Atom Heteroatom Core Hops in Drug-Like Scaffolds A preliminary reproducibility study of structural filtering, formal atom-transfer reactions, conformer sampling, solvent sensitivity, and electronic-structure validation

This study presents a preliminary reproducibility audit of a computational workflow for single-atom heteroatom core hops in drug-like scaffolds, revealing that while the pipeline successfully filtered thousands of ChEMBL records, it ultimately failed to produce valid thermodynamic data due to topology integrity issues and the invalidation of key reaction energies.

Hassan Raza2026-09-09
📄 chemistry

Effects of Phosphorus Compounds, Montmorillonite Clay on the Thermo-Mechanical Properties of Epoxy Resins and Their Coatings

This study demonstrates that incorporating triphenyl phosphate (TPP) and montmorillonite (MMT) clay into Kukdo YD-011X75 epoxy resin significantly enhances impact strength and thermal stability, with a synergistic combination of 4 wt.% TPP and 1 wt.% MMT yielding a 194.1% increase in impact strength suitable for heat-resistant protective coatings.

Cuong Huynh Le Huy, An Truong Thanh, Vinh Mai Phuc2026-09-09