📄 chemistry

Assessment of Metal-Organic Framework Incorporated Thin Film Nanocomposite Membrane in Real Seawater Desalination Via Pressure Assisted Osmosis

This study demonstrates that incorporating 0.05 wt% hydrophilic aluminium fumarate metal–organic framework (MOF) into thin film nanocomposite membranes significantly enhances water permeability and salt rejection, achieving a stabilized flux of 9.35 Lm⁻²h⁻¹ for efficient real seawater desalination via pressure-assisted osmosis.

Rajesha Kumar Alambi, Mansour Ahmed, Garudachari Bhadrachari, Mansour Al-Rughaib, Jibu P. Thomas2026-09-23
📄 chemistry

Coupled Homogeneous-Heterogeneous Oxidation of Tetracycline by Natural Pyrite and H2O2 : The Roles of Fe(II) Release and Sulfur Transformation

This study demonstrates that natural pyrite acts as a highly efficient, dark-active heterogeneous Fenton-like catalyst for the rapid degradation and detoxification of tetracycline and other antibiotics through a synergistic mechanism where lattice sulfur regenerates surface Fe(II) to sustain a robust redox cycle and generate multiple reactive oxygen species.

Runchang Su, Yuhang Liu, Mei Zhang, Min Guo2026-09-23
📄 chemistry

Bimodal optical nanosensor based on upconversion fluorescence resonance energy transfer and gold nanoparticle interactions for high sensitivity and colorimetric evaluation of ractopamine in pork

This study presents a highly sensitive dual-mode optical nanosensor that integrates upconversion fluorescence resonance energy transfer and gold nanoparticle aggregation to enable rapid, selective, and reliable colorimetric and fluorometric detection of ractopamine residues in pork samples.

Wei Yu, Yang He, Ming Li, Kabeh Addi Nyahn, Yanyu Chen, Huanan Guan2026-09-23
📄 chemistry

Beyond Jacob’s Ladder: A Physics-driven AI Approach to Density Functional Theory

This paper introduces δ\deltaML-DFT, a physics-driven machine learning approach that uses only molecular electron density as input to predict atomization and interaction energies with sub-1 kcal/mol accuracy, thereby overcoming the complexity limitations of traditional Density Functional Theory and enabling reliable predictions for diverse chemical systems including those with strong electron correlation.

Ekaterina Pas, Peter Halat, Florencia Stella, Russhil Khurana, Sophie Crouch, Nicole Wang2026-09-23
📄 chemistry

Synthesis, Characterisation and Biological Evaluation of Some 5- Trifluoromethylisoxazole Derivatives

This study reports the synthesis, characterization, and biological evaluation of a series of 4-(aryldiazenyl)-5-trifluoromethylisoxazole derivatives, identifying specific compounds with potent antimicrobial, antioxidant, and DNA-protective activities.

Kamalneet Kaur, Aman Kumar, Nisha Nisha, Ekta Ekta, Chetan Sharma, Vishal Sharma, Sundeep Jaglan, Rakesh Kumar Bhardwaj (…)2026-09-23
📄 chemistry

Dynamic protonation of nickel, manganese & cobalt (NMC) and its effect on simultaneous estimation and chelation potential of polyphenolic ligand(s)

This study demonstrates that curcumin, a polyphenolic natural ligand, effectively enables the simultaneous estimation and high-throughput chelation of nickel, manganese, and cobalt (NCM) from lithium-ion battery cathodes through a dynamic protonation mechanism, as validated by statistical design, spectroscopic analysis, and density functional theory.

D C Kavyashree, K N Lokesh2026-09-23
📄 chemistry

Polymerization mechanism of dopamine resolved: A story of strong π stacking

By utilizing ionic liquids to dissolve polydopamine and employing in situ NMR spectroscopy, this study resolves the long-standing polymerization mechanism of dopamine, revealing that it proceeds through the formation of covalently bonded DHI dimers that aggregate via strong π-stacking interactions, thereby redefining the fundamental structure and adhesive properties of polydopamine.

Ekaterina Pas, Sophie Crouch, William Drury, Peter Halat, Jason Harper, Kamila Kochan, Ryan Robson, Rico Tabor, Alasdair (…)2026-09-23
📄 chemistry

Tailoring strength-ductility of Al 0.8 CoCrFeNi/Al composites fabricated by deformation-driven metallurgy via incorporating high-energy ball milling pretreatment

High-energy ball milling pretreatment effectively tailors the mechanical properties of Al0.8CoCrFeNi/Al composites by refining reinforcement size and increasing dislocation density, thereby significantly enhancing yield and ultimate tensile strength while maintaining reasonable ductility.

Junchen Li, Sihao Chen, Yuhuan Yin, Xiangchen Meng, Yuming Xie, Yongxian Huang2026-09-23
📄 chemistry

Utilization of a Zirconium-Based Porous Metal-Organic Framework (PCN- 224) for Enhanced Electrochemiluminescence of Porphyrin via Suppression of Aggregation-Caused Quenching

This study presents a novel electrochemiluminescence immunosensor for highly sensitive alpha-fetoprotein detection that leverages a synergistic Au@PCN-224/CeO₂@PDA "donor-acceptor" system, where the zirconium-based PCN-224 framework suppresses aggregation-caused quenching and facilitates efficient energy transfer to achieve a wide detection range and excellent clinical potential for liver cancer screening.

Zhengyi Zhao, Yige Li, Tiantian Ji, Haoyi Ren, Mingzhe Jiang, Yu Qi, Chenglin Hong2026-09-23