The modification of Pt surfaces with organic compounds like melamine enhances oxygen reduction reaction activity and catalyst durability. Through first-principles free energy calculations utilizing thermodynamic integration and finite-temperature molecular dynamics, enhanced by machine learning force fields for efficient sampling of nanosecond-scale interfacial water fluctuations and incorporating corrections to accurately reproduce first-principles free energies, we demonstrate that melamine destabilizes OH adsorbates, facilitating their removal and enhancing catalytic activity. Unlike alloys, where OH destabilization is driven by changes in electronic structure and surface strain, melamine disrupts hydrogen bonding between OH and interfacial water. Structural and vibrational analyses reveal that melamine alters the water solvation structure, which is evident in modified radial distribution functions and a blue shift in the O-H stretching vibrations. These findings indicate that manipulating interfacial solvation with organic compounds could be a promising approach to enhance catalytic activity without compromising durability.
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http://dx.doi.org/10.1021/acs.jpclett.4c03437 | DOI Listing |
J Biochem Mol Toxicol
January 2025
Department of Medical Biochemistry, Faculty of Medicine, Kahramanmaraş Sütçü İmam University, Kahramanmaraş, Turkey.
Neurodegenerative diseases are significant health concerns that have a profound impact on the quality and duration of life for millions of individuals. These diseases are characterized by pathological changes in various brain regions, specific genetic mutations associated with the disease, deposits of abnormal proteins, and the degeneration of neurological cells. As neurodegenerative disorders vary in their epidemiological characteristics and vulnerability of neurons, treatment of these diseases is usually aimed at slowing disease progression.
View Article and Find Full Text PDFChemosphere
January 2025
Center for the Development of Functional Materials (CDMF), Federal University of São Carlos (UFSCar), Washington Luís Road, Km 235, 13565-905, São Carlos, SP, Brazil.
Innovative applications of cobalt tungstate nanoparticles (CoWO NPs) are directly linked to their increased production and consumption, which can consequently increase their release into aquatic ecosystems and the exposure of organisms. Microalgae are autotrophic organisms that contribute directly to global primary productivity and provide oxygen for maintaining many organisms on Earth. In this paper, we assessed the toxicity of CoWO NPs when in contact with the freshwater microalga Raphidocelis subcapitata (Chlorophyceae).
View Article and Find Full Text PDFPlant Physiol Biochem
January 2025
Department of Botany, Cotton University, Guwahati, 781001, Assam, India. Electronic address:
Selenium nanoparticles are well known for their antioxidant and stress-mitigating properties. In our study, composite nanoformulations of selenium and chitosan have been synthesized. The synthesized composite nanoformulations were 50 nm in diameter, spherical in shape, and had higher antioxidant activities and stability than the selenium and chitosan nanoparticles.
View Article and Find Full Text PDFFood Chem
January 2025
Department of Food Science and Technology, School of Agriculture and Biology, Shanghai Jiao Tong University, 800 Dongchuan Road, Shanghai 200240, China. Electronic address:
Reductions in polycyclic aromatic hydrocarbon (PAH) concentrations have been observed during frying. However, transformation mechanisms of PAHs remain unclear. We hypothesize that PAHs may be oxidized into oxygenated polycyclic aromatic hydrocarbons (OPAHs) and other derivatives during frying.
View Article and Find Full Text PDFJ Hazard Mater
January 2025
MOE Key Laboratory of Environment Remediation and Ecological Health, College of Environmental & Resource Sciences, Zhejiang University, Hangzhou 310058, China. Electronic address:
Lipids, as key components of biological membranes, play vital roles in sensing and initiating plant responses to various abiotic stresses. Here, the alteration of membrane fatty acids in wheat roots under Al stress was investigated using two genotypes differing in Al tolerance, and the role of linoleic acid in Al tolerance was comprehensively explored. Significant differences in the fatty acid profiles were observed, with increased linoleic acid accumulation in the Al-tolerant genotype.
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