📄 chemistry

Green-Synthesised Silver Nanoparticles from Solanum aethiopicum Leaves: Physicochemical Characterisation and In Vitro Antioxidant Activity

This study demonstrates that silver nanoparticles biosynthesized using *Solanum aethiopicum* leaf extract are crystalline, phytochemically capped nanostructures that exhibit potent in vitro antioxidant activity by significantly inhibiting lipid peroxidation and enhancing enzymatic and non-enzymatic antioxidant responses.

Chinwe P. Okonkwo, Matthew C. Obiadi, Anthony A. Anyogu, Julie O. Ndubuisi, Benjamin C. Asogwa, Jude I. Ayogu2026-08-04
📄 chemistry

Photothermal and photoacoustic performances of atomically precise Au103S(p-MBT)42 nanoclusters

This study reports the synthesis and characterization of atomically precise Au103S(p-MBT)42 nanoclusters, which exhibit unique molecular-state photothermal and photoacoustic properties in the near-infrared window, enabling their effective application as water-soluble contrast agents for biological imaging after PEGylation.

Xu Liu, Hao Wang, Ying An, Wei Zhang, Yiqi Tian, Peng Lan, Meng Zhou, Gongde Wu, Weiping Ding, Yan Zhu, Huangxian Ju2026-08-04
📄 chemistry

Identification of Novel Coumarin-Based Chalcones as Estrogen Receptor α Inhibitors through Experimental and Computational Approaches

This study identifies novel coumarin-based chalcones, particularly compound 2c, as potent estrogen receptor alpha inhibitors and anti-breast cancer agents through a combination of experimental synthesis, cytotoxicity and antioxidant assays, and computational binding analysis.

Sadiq Abubakar, Melati Khairuddean, Noor Zafirah Ismail, Salizawati Mohamad Salhimi, Mohammad Al-Amin, Tutik Dwi Wahyuni (…)2026-08-04
📄 chemistry

Electronic Structure, Vibrational Analysis, and Nonlinear Optical Properties of 1-(4-methylsulfonylphenyl)-3-(4 N,Ndimethylaminophenyl) prop-2-en-1-one (MSPPP): A DFT Approach

This study employs Density Functional Theory (DFT) to comprehensively analyze the electronic structure, vibrational properties, and nonlinear optical behavior of the chalcone derivative MSPPP, confirming its strong donor-π-acceptor charge transfer mechanism and validating its 12.3-fold superior second-harmonic generation efficiency compared to urea as a promising candidate for advanced optoelectronic applications.

Mohana Attia2026-08-04
📄 chemistry

Computational Exploration of 2-Fluoro-4-Nitrotoluene as a Multifunctional Electron-Accepting Chromophore for Photovoltaic, Nonlinear Optical, and pharmacokinetic Assesment: A DFT, TD-DFT, ADME, and SCAPS-1D Investigation

This study employs a comprehensive computational framework combining DFT, TD-DFT, SCAPS-1D, and ADME analyses to demonstrate that 2-fluoro-4-nitrotoluene is a promising multifunctional electron-accepting chromophore with potential applications in photovoltaics, nonlinear optics, and pharmacokinetics.

A. Ramu2026-08-04
📄 chemistry

Magainin II- and CWR11-Functionalized Stainless-Steel Surfaces for Reducing Bacterial Survival, Attachment, Biofilm Formation, and Transfer on Public Western-Style Toilet Hardware

This study demonstrates that covalently immobilizing antimicrobial peptides Magainin II and CWR11 on stainless steel 304 creates durable, biocompatible surfaces that significantly reduce bacterial survival, attachment, and biofilm formation while maintaining efficacy through repeated cleaning and abrasion, offering a sustainable solution for mitigating pathogen transmission on public restroom hardware.

Shrish Chandra Srivastava2026-08-04
📄 chemistry

In-situ self-doping of Lotus seed pod-based hierarchical porous carbon for high-performance supercapacitors

This study develops a high-performance, sustainable supercapacitor electrode material (LDCC-5) by leveraging the natural hierarchical structure and inherent heteroatoms of lotus seed pods to achieve synergistic in-situ self-doping and optimized pore architecture, thereby overcoming the traditional trade-off between energy and power density.

Siyu Ge, Xiaoyang Wang, Xiping Lei, Bing Wang, Tingting Wang, Quantao Yang, Shenghua Yao, Kun Shao, Siliu Lyu, Ting Yu2026-08-04
📄 chemistry

Enhanced Cr(VI) removal using zero-valent manganese nanoparticles

This study demonstrates that zero-valent manganese nanoparticles (ZVMn) effectively remove hexavalent chromium from aqueous solutions and electroplating wastewater through a self-enhanced mechanism involving in situ corrosion, surface reconstruction into a high-surface-area manganese oxide/hydroxide shell, and a coupled pathway of electrostatic attraction, redox transformation, and precipitation.

Jian Peng, Canbin Zhong, Wei Liu, Jialin Liao, Baofu Gao, Wubiao Lin, Ruixiong Huang, Rikun Lai, Yong Yang, Huosheng Li (…)2026-08-03
📄 chemistry

Valorization of Pomelo Peel into a Carboxyl-Rich Adsorbent for Charge-Selective Removal of Cationic Dyes

This study demonstrates that a carboxyl-functionalized pomelo peel biosorbent, prepared through alkali treatment, oxidative bleaching, and esterification grafting, serves as a highly efficient, reusable, and charge-selective adsorbent for the removal of cationic dyes from wastewater via electrostatic attraction and hydrogen bonding.

Linlin Du, Jiaxing Jiang, Dayong Xie, Yingbo Zhang, Bing Niu, Sisi Ma, Wenying Shi2026-08-03