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Data Checking of Asymmetric Catalysis Literature Using a Graph Neural Network Approach.

Molecules

January 2025

GSK Carbon Neutral Laboratories for Sustainable Chemistry, Jubilee Campus, University of Nottingham, Triumph Road, Nottingham NG7 2TU, UK.

The range of chemical databases available has dramatically increased in recent years, but the reliability and quality of their data are often negatively affected by human-error fidelity. The size of chemical databases can make manual data curation/checking of such sets time consuming; thus, automated tools to help this process are highly desirable. Herein, we propose the use of Graph Neural Networks (GNNs) to identifying potential stereochemical misassignments in the primary asymmetric catalysis literature.

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Predicting a strongly positive fluid balance in critically ill patients with acute kidney injury: A multicentre, international study.

J Crit Care

January 2025

Department of Intensive Care, Austin Hospital, Heidelberg, VIC, Australia; Australian and New Zealand Intensive Care Research Centre (ANZIC-RC), School of Public Health and Preventive Medicine, Monash University, Melbourne, VIC, Australia.

Background: In critically ill patients with acute kidney injury (AKI), a fluid balance (FB) > 2 L at 72 h after AKI diagnosis is associated with adverse outcomes. Identification of patients at high-risk for such fluid accumulation may help prevent it.

Methods: We used Australian electronic medical record (EMR)-based clinical data to develop the "AKI-FB risk score", validated it in a British cohort and used it to predict a positive FB >2 L at 72 h after AKI diagnosis.

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Sex-specific effects of prenatal bisphenol A exposure on transcriptome-interactome profiles of autism candidate genes in neural stem cells from offspring hippocampus.

Sci Rep

January 2025

Chulalongkorn Autism Research and Innovation Center of Excellence (Chula ACE), Department of Clinical Chemistry, Faculty of Allied Health Sciences, Chulalongkorn University, 154 Soi Chula 12, Rama 1 Road, Wangmai, Pathumwan, Bangkok, 10330, Thailand.

Bisphenol A (BPA), an endocrine-disrupting chemical, is increasingly linked to the pathogenesis of autism spectrum disorder (ASD). This study investigates the effects of prenatal BPA exposure on neural stem cells (NSCs) from the hippocampi of rat offspring, a brain region critical for neurodevelopment and implicated in ASD. Pregnant rats were administered with BPA or vehicle control once daily via oral gavage from gestational day 1 until parturition.

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This article presents the development and validation of the Short Phronesis Measure (SPM), a novel tool to assess Aristotelian phronesis (practical wisdom). Across three studies, using large, nationally representative samples from the UK and US (demographically matched to census data), we employed a systematic and rigorous methodology to examine the structure, reliability, and validity of the SPM. In Study 1a, exploratory factor analysis identified ten distinct, internally reliable components of phronesis, challenging the traditional four-component Aristotelian model.

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