Amorphous bulk metallic glasses with the composition FeCrMoCBYhave been of interest due to their special mechanical and electronic properties, including corrosion resistance, high yield-strength, large elasticity, catalytic performance, and soft ferromagnetism. Here, we apply a reverse Monte Carlo technique to unravel the atomic structure of these glasses. The pair-distribution functions for various atomic pairs are computed based on the high-energy x-ray diffraction data we have taken from an amorphous sample. Monte Carlo cycles are used to move the atomic positions until the model reproduces the experimental pair-distribution function. The resulting fitted model is consistent with oursimulations of the metallic glass. Our study contributes to the understanding of functional properties of Fe-based bulk metallic glasses driven by disorder effects.
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http://dx.doi.org/10.1088/1361-648X/ac6a9a | DOI Listing |
Chempluschem
March 2025
Shanghai University, Chemistry, Shangda Road 99, 200444, Shanghai, CHINA.
Electrochemiluminescence (ECL) combines electrochemical redox processes with photochemical light emission, offering exceptional sensitivity, spatial control, and stability. Widely applied in biosensing, medical diagnostics, and environmental monitoring, its efficiency often depends on advanced catalytic materials. Single-atom catalysts (SACs), featuring isolated metal atoms dispersed on a support, have emerged as promising candidates due to their unique electronic structures, high atom utilization, and tunable catalytic properties.
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May 2025
State Key Laboratory of Featured Metal Materials and Life-cycle Safety for Composite Structures, Guangxi University, Nanning, Guangxi, 530004, PR China; College of Life Science and Technology, Guangxi University, Nanning, Guangxi, 530004, PR China; Medical College of Guangxi University, Guangxi University, Nanning, Guangxi, 530004, PR China; Center for Instrumental Analysis, Guangxi University, Nanning, Guangxi, 530004, PR China. Electronic address:
Tryptophan (Trp) is an essential amino acid obtained from human diet. It is involved not only in de novo biosynthesis of proteins but also in complex metabolic pathways. Redox transformation of tryptophan is under-explored in comparison with kynurenine, serotonin and indole pyruvate pathways.
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March 2025
Innovative Practice Platform for Research-oriented Teaching of Natural Product Resources Development and Application, School of Food Science and Chemical Engineering, Zhengzhou University of Technology, Zhengzhou, Henan 450044, China.
A series of novel amide-fused isosteviol derivatives were designed and synthesized. Their cytotoxicities in vitro against HCT-116 cells were screened. The preliminary bioassays indicated that most of the title compounds exhibited noteworthy cytotoxicity.
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March 2025
Scientific Research Management Department, Shanghai University, Shanghai, 200444, China. Electronic address:
Drug-target affinity prediction is a fundamental task in the field of drug discovery. Extracting and integrating structural information from proteins effectively is crucial to enhance the accuracy and generalization of prediction, which remains a substantial challenge. This paper proposes a pocket-based multimodal deep learning model named PocketDTA for drug-target affinity prediction, based on the principle of "structure determines function".
View Article and Find Full Text PDFSci Adv
March 2025
Department of Chemistry, Hanyang University, Seoul 04763, Republic of Korea.
Polymer blend films exhibit unique properties and have applications in various fields. However, understanding their nanoscale structures and polymer component distributions remains a challenge. To address this limitation, we have developed a super-resolution fluorescence microscopy-based technique called oxygen-excluded nanoimaging.
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