Machine learning is one of the most popular fields in computer science and has a vast number of applications. In this work we will propose a method that will use a neural network to locally identify crystal structures in a mixed phase Yukawa system consisting of fcc, hcp, and bcc clusters and disordered particles similar to plasma crystals. We compare our approach to already used methods and show that the quality of identification increases significantly. The technique works very well for highly disturbed lattices and shows a flexible and robust way to classify crystalline structures that can be used by only providing particle positions. This leads to insights into highly disturbed crystalline structures.
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http://dx.doi.org/10.1103/PhysRevE.96.011301 | DOI Listing |
Food Chem X
January 2025
College of Food Science, Fujian Agriculture and Forestry University, Fuzhou, Fujian, PR China.
Steam explosion (SE) and cellulase treatment are potentially effective processing methods for by-products, for use in high-value applications. The treatment conditions were optimized by response surface methodology, increasing the soluble dietary fiber (SDF) yield by 1.52 and 1.
View Article and Find Full Text PDFJ Ion Liq
December 2024
Department of Chemistry and Biochemistry, University of Nevada Las Vegas, 4505 S. Maryland Parkway, Box 454003, Las Vegas, NV 89154, United States.
Dicationic ionic liquids (DILs) are emerging as a powerful, next-generation approach to designing applied ILs because of their superior physicochemical properties as well as their diverse complexity and tunability for task specific applications. DILs are scarce in the literature compared to monocationic ILs (MILs), and one of their main issues is their expected tendency to possess higher melting temperatures. A series of 1,4-bis[2-(4-pyridyl)ethenyl] benzene and 1,4-bis[2-(2-pyridyl)ethenyl]benzene quaternary salts (Q-BPEBs) with different counterions (bromide, tosylate, and triflimide) and carbon chain lengths (C, C, and C) have been synthesized for their potential as DILs with strong photoluminescent properties in the solid state.
View Article and Find Full Text PDFJ Biomed Mater Res A
January 2025
PRISM Research Institute, Technological University of the Shannon: Midlands Midwest, Athlone, Ireland.
This study provides a comprehensive investigation of antimicrobial additives (ZnO/AgNPs and SiO/AgNPs) on the properties of biodegradable ternary blends composed of poly(hydroxybutyrate) (PHB), poly(lactic acid) (PLA), and polycaprolactone (PCL) by examining the morphology, thermal stability, crystallinity index, and cell viability of these blends. Overall, transmission electron microscopy (TEM) analysis revealed that AgNPs and SiO exhibited comparable sizes, whereas ZnO was significantly larger, which influences their release profiles and interactions with the blends. The addition of antimicrobials influences the rheology of the blends, acting as compatibilizers by reducing the intermolecular forces between biopolymers.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Engineering Research Center of Advanced Rare-Earth Materials of Ministry of Education, Department of Chemistry, Tsinghua University, Beijing 100084, China.
Substituting the molecular metal complexes used in the industrial olefin hydroformylation process is of great significance in fundamental research and practical application. One of the major difficulties in replacing the classic molecular metal catalysts with supported metal catalysts is the low chemoselectivity and regioselectivity of the supported metal catalysts because of the lack of a well-defined coordination environment of the metal active sites. In this work, we have systematically studied the influences of key factors (crystallinity, alkali promoters, etc.
View Article and Find Full Text PDFInt J Biol Macromol
January 2025
Department of Bio-Health Convergence, Kangwon National University, Chuncheon 24341, Republic of Korea. Electronic address:
Silver nitroprusside complex nanoparticles (AgN NPs) have garnered significant attention for their antimicrobial properties. However, challenges such as toxicity and limited biocompatibility often hinder their practical applications. Therefore, this study introduces a combined approach to fabricating AgN NPs with chitosan (CS), resulting in CS-AgN nanocomposites (CS-AgN NCs) with cytocompatibility.
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