📄 Category

chemistry

1656 papers

📄 chemistry

Disentangling Operating Conditions from Intrinsic Adsorbent Properties in CO₂ Capture: An Explainable Machine Learning Study Across Four Adsorbent Categories

This study employs explainable machine learning on a curated database of 398 CO₂ adsorption measurements to demonstrate that unequal testing pressure distributions across material families confound literature-based performance rankings, necessitating the decoupling of operating conditions from intrinsic properties to accurately identify key descriptors like BET surface area and pore volume.

Rahma H. Thabet2026-09-15
📄 chemistry

Degradation of Petroleum Hydrocarbons in Wastewater by MnFe2O4@BC Catalysts Activated with Persulfate: Investigation into Radical and Non-radical Transformation Pathways and Mechanisms

This study demonstrates that MnFe2O4-supported biochar catalysts, synthesized via sol-gel method with a 4:1 Fe:Mn ratio, efficiently degrade petroleum hydrocarbons in wastewater through a synergistic persulfate activation system involving both radical (SO4•−, •OH, O2•−) and non-radical (1O2) pathways, achieving removal rates of up to 88.05% within 24 hours.

Yu He, Hengyu Chen, Mingyang Tan, Lujie He, Zhilong Diao, Shuang Wu, Shijing Liu, Huanfang Gao2026-09-15
📄 chemistry

Synthesis of MnO2 Nanostructures for Supercapacitor is an Efficient Electrode Material to Improve Energy Storage: Effect of Annealing Temperature

Hydrothermally synthesized MnO2 nanostructures annealed at 400°C (MO-1) demonstrated optimal electrochemical performance as a supercapacitor electrode, delivering a specific capacitance of 280 F/g and 98.3% cycling stability, which enabled an asymmetric device to achieve an energy density of 39.6 Wh/kg.

Suprimkumar D. Dhas, Pragati N. Thonge, Aqsa Ghazal, Aravind H. Patil, Teja M. Patil, Tushar T. Bhosale, D. Karthigaimut (…)2026-09-15
📄 chemistry

Innovative Microwave Foamed Egg White-Cork Composite for Enhanced Acoustic Absorption: Valorizing By-Products into Sustainable Construction Materials

This study demonstrates that incorporating microwave-foamed egg white-cork composites into mortar significantly enhances sound absorption and maintains fire resistance, offering a sustainable, circular economy solution for acoustic construction materials by valorizing cork and egg by-products.

Giorgio Luciano, Ruben Maderuelo Sanz, Maurizio Vignolo2026-09-15
📄 chemistry

A selective resonance Rayleigh scattering method for trace vitamin B2 based on molecularly imprinted nanosilver probe

This paper presents a selective and sensitive resonance Rayleigh scattering method for detecting trace vitamin B2 in milk samples, utilizing a photochemically prepared Fe₃O₄@AgNP molecularly imprinted nanosilver probe that exhibits signal quenching via RRS-energy transfer upon binding with the target molecule.

Yue Luo, Dan Li, Chongning Li, Guiqing Wen, Aihui Liang, Zhiliang Jiang2026-09-15
📄 chemistry

Magnetic and Electrochemical Dynamics in Thermal Annealed Mg0.5Mn0.5Fe2O4

This study demonstrates that thermal annealing of Mg0.5Mn0.5Fe2O4 nano spinel ferrites creates a functional trade-off where higher temperatures (900 °C) optimize magnetic softness by increasing crystallite size and reducing surface disorder, while lower temperatures (600–700 °C) preserve the porous surface area necessary for superior electrochemical charge storage.

S. Meena Sankari, R. Sagayaraj, A. Maria Bernadette Leena, N. Lavanya, S. Aravazhi, G. Chandrasekaran2026-09-15
📄 chemistry

A Computational QSPR Study of Neurotransmitters using Distance-Based Topological Descriptors

This study employs distance-based topological indices, including Mostar, Padmakar-Ivan, Szeged, and geometric-arithmetic descriptors, to analyze the structural characteristics of neurotransmitters and construct regression models for predicting their key physicochemical properties.

Hafiz Muhammad Fraz, Zia ul Haque, Kashif Ali, Muhammad Faisal Nadeem, Priyanka Roy, Aimin Li, Saurav Mallik2026-09-15
📄 chemistry

DFT-based prediction of anti-cancer activity of some organo-Pt IV complexes

This study employs Density Functional Theory (DFT) to predict the anti-cancer activity of twenty-three Pt(IV) and four Pt(II) complexes against HCT116 and A2780 cell lines by analyzing their thermodynamic transformation into active Pt(II) species and pharmacokinetic properties, demonstrating that these computational models can reliably forecast the efficacy of novel drugs prior to synthesis.

Vishnu Kumar Sahu, Swati Swati2026-09-15
📄 chemistry

Observation of Protonation-Assisted Contrary Aggregate Emission with Strong and Weak Electron Donor Substituents in Barbituric Acid-Pyran Conjugate Triads

This study reports the design and synthesis of two barbituric acid-pyran conjugate triads that exhibit aggregation-induced emission enhancement and demonstrate contrasting, protonation-responsive fluorescence behaviors in the solid state—blue-shifted enhancement for the phenyl-substituted derivative and red-shifted quenching for the anisyl-substituted derivative—driven by differences in donor strength and conjugation effects.

Ajayakumar Aswathy, Kurisingal B. Daisymol, Pookalavan K. Vineetha, Aluparambil R. Biju, Narayanapillai Manoj2026-09-14
📄 chemistry

One-Step Electrodeposited Manganese-Copper Heterojunction Electrode for Efficient Electrochemical Nitrate Reduction to Ammonia

This study presents a one-step electrodeposited manganese-copper heterojunction electrode that achieves high-efficiency electrochemical nitrate-to-ammonia conversion (94% Faradaic efficiency) by enhancing the active surface area, water dissociation, and proton transport capabilities.

Shenghui Shi, Zihe Xu, Yundong Cai, Fengjiao Quan, Wenjuan Shen, Pengfei Xu, Jianfen Li, Yun He, Shunxi Zhang2026-09-14