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Machine Learning Prediction of Physicochemical Properties in Lithium-Ion Battery Electrolytes With Active Learning Applied to Graph Neural Networks.
J Comput Chem
January 2025
Department of Chemistry, Birla Institute of Technology Mesra, Ranchi, India.
Accurate prediction of physicochemical properties, such as electronic energy, enthalpy, free energy, and average vibrational frequencies, is critical for optimizing lithium-ion battery (LIB) performance. Traditional methods like density functional theory (DFT) are computationally expensive and inefficient for large-scale screening. In this study, we apply active learning on top of graph neural networks (GNNs) to efficiently predict these properties.
View Article and Find Full Text PDFBirthing parent perspectives on measuring the quality of perinatal care: metrics, timing, and process.
Front Health Serv
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Department of Obstetrics and Gynecology, School of Medicine, University of North Carolina at Chapel Hill, Chapel Hill, NC, United States.
Objective: Centering birthing parents is critical for improving reproductive health policies and practices. This study investigates patient perspectives on measuring the quality of perinatal care.
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Multi-omics in exploring the pathophysiology of diabetic retinopathy.
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Department of Ophthalmology, The Affiliated Hospital of Kunming University of Science and Technology, Kunming, China.
Diabetic retinopathy (DR) is a leading global cause of vision impairment, with its prevalence increasing alongside the rising rates of diabetes mellitus (DM). Despite the retina's complex structure, the underlying pathology of DR remains incompletely understood. Single-cell RNA sequencing (scRNA-seq) and recent advancements in multi-omics analyses have revolutionized molecular profiling, enabling high-throughput analysis and comprehensive characterization of complex biological systems.
View Article and Find Full Text PDFAcute metabolic decompensation after liver transplant in a patient with maple syrup urine disease.
JIMD Rep
January 2025
Division of Genetics and Genomic Medicine, Department of Pediatrics Washington University School of Medicine St. Louis Missouri USA.
Maple syrup urine disease (MSUD) is an inborn error of metabolism characterized by the accumulation of branched-chain amino acids (leucine, isoleucine, and valine) caused by a defect in the branched-chain alpha-keto acid dehydrogenase complex. Liver transplant is an effective therapy for MSUD, and patients can usually tolerate a regular diet after transplant without symptomatic metabolic decompensation. Most post-transplant patients do not follow a sick-day diet.
View Article and Find Full Text PDFEnhancing Viability of BG24 Through Optimized Spray Drying: Insights Into Process Parameters, Carrier Agents, Comparative Analysis With Freeze Drying, and Storage Condition Influences.
Food Sci Nutr
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Department of Food Engineering, Faculty of Engineering Ege University İzmir Turkey.
This study investigated the survival dynamics of BG24, a probiotic strain, within reconstituted skim milk (RSM) and yeast extract (YE) matrices during the spray-drying (SD) process, encompassing of inlet/outlet air temperatures. Notably, optimum SD parameters were found to be an inlet air temperature of 150°C and outlet air temperature of 83°C, that achieving high viability (92.23%), and reducing both moisture content (MC) (3.
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