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A hybrid meta on-top functional for multiconfiguration pair-density functional theory.
Proc Natl Acad Sci U S A
January 2025
Department of Chemistry, Chemical Theory Center, University of Minnesota, Minneapolis, MN 55455-0431.
Multiconfiguration pair-density functional theory (MC-PDFT) was proposed a decade ago, but it is still in the early stage of density functional development. MC-PDFT uses functionals that are called on-top functionals; they depend on the density and the on-top pair density. Most MC-PDFT calculations to date have been unoptimized translations of generalized gradient approximations (GGAs) of Kohn-Sham density functional theory (KS-DFT).
View Article and Find Full Text PDFQwen-2.5 Outperforms Other Large Language Models in the Chinese National Nursing Licensing Examination: Retrospective Cross-Sectional Comparative Study.
JMIR Med Inform
January 2025
Department of Science and Education, Shenzhen Baoan Women's and Children's Hospital, Shenzhen, China.
Background: Large language models (LLMs) have been proposed as valuable tools in medical education and practice. The Chinese National Nursing Licensing Examination (CNNLE) presents unique challenges for LLMs due to its requirement for both deep domain-specific nursing knowledge and the ability to make complex clinical decisions, which differentiates it from more general medical examinations. However, their potential application in the CNNLE remains unexplored.
View Article and Find Full Text PDFQuantitative LC-MS/MS Analysis of Endogenous Isomeric Metabolites Biliverdin IX Alpha, Beta, and Delta in Cell Culture Supernatant, Cell Pellet, and Lung Tissue.
J Proteome Res
January 2025
School of Pharmacy, Department of Pharmaceutical Sciences, University of Maryland, Baltimore, Maryland 21201, United States.
() utilizes heme as an iron source from the host during infection. Biliverdin beta and delta (BVIXβ and BVIXδ) are generated by HemO, specific to , while biliverdin alpha is generated from the bacterial BphO system and by mammalian heme oxygenases. Here, we have developed and characterized a quantitative LC-MS/MS assay for the separation of three endogenous isomers, BVIXα, BVIXβ, and BVIXδ.
View Article and Find Full Text PDFAssociations of resuscitation fluid load, colloid-to-crystalloid infusion ratio and clinical outcomes in children with dengue shock syndrome.
PLoS Negl Trop Dis
January 2025
Department of Infectious Diseases, Children's Hospital 2, Ho Chi Minh City, Vietnam.
Background: Severe respiratory distress and acute kidney injury (AKI) are key factors leading to poor outcomes in patients with dengue shock syndrome (DSS). There is still limited data on how much resuscitated fluid and the specific ratios of intravenous fluid types contribute to the development of severe respiratory distress necessitating mechanical ventilation (MV) and AKI in children with DSS.
Methodology/principal Findings: This retrospective study was conducted at a tertiary pediatric hospital in Vietnam between 2013 and 2022.
Internal validation of a convolutional neural network pipeline for assessing meibomian gland structure from meibography.
Optom Vis Sci
January 2025
Johnson & Johnson MedTech (Vision), Irvine, California.
Significance: Optimal meibography utilization and interpretation are hindered due to poor lid presentation, blurry images, or image artifacts and the challenges of applying clinical grading scales. These results, using the largest image dataset analyzed to date, demonstrate development of algorithms that provide standardized, real-time inference that addresses all of these limitations.
Purpose: This study aimed to develop and validate an algorithmic pipeline to automate and standardize meibomian gland absence assessment and interpretation.
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