A QSAR methodology that involves multilinear (Hansch-type) and nonlinear (ANN backpropagation) approaches was developed to correlate the antiplatelet activity of 60 benzoxazinone derivatives against factor Xa. The statistical characteristics provided by multilinear model (R2 = 0.821) indicated satisfactory stability and predictive ability, while the ANN predictive ability is somewhat superior (R2 = 0.909). The multilinear model provided insight into the main factors that modulate the inhibitory activity of the investigated compounds.
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http://dx.doi.org/10.1016/j.bmc.2006.07.022 | DOI Listing |
Placenta
January 2025
Mother Infant Research Institute, Tufts Medicine, Boston, MA, USA; Dept Obstetrics & Gynecology, Tufts University, Boston, MA, USA. Electronic address:
Hypothesis: Declines in insulin sensitivity during pregnancy important for fetal growth are associated with impairments in skeletal muscle post-receptor insulin signaling. The primary initiator of these changes is unknown but believed to originate in the placenta. We hypothesize that placental miRNAs are associated with maternal sensitivity changes and impact insulin-sensitive mechanisms in target tissues in vitro.
View Article and Find Full Text PDFActa Physiol (Oxf)
February 2025
Institute of Physiology, Center for Space Medicine and Extreme Environments Berlin, Charité-Universitätsmedizin Berlin, Berlin, Germany.
Objective: Accurate blood pressure (BP) measurement is crucial for the diagnosis, risk assessment, treatment decision-making, and monitoring of cardiovascular diseases. Unfortunately, cuff-based BP measurements suffer from inaccuracies and discomfort. This study is the first to access the feasibility of machine learning-based BP estimation using impedance cardiography (ICG) data.
View Article and Find Full Text PDFDiabetes Metab Syndr Obes
January 2025
Department of Endocrinology, Shanghai Pudong Hospital, Fudan University, Shanghai, 201399, People's Republic of China.
Background: Direct Observation of Procedural Skills (DOPS) is a clinical assessment tool that enables trainers to observe medical students' procedural abilities in real-time clinical settings. It assesses students' knowledge application, decision-making, and skill proficiency during clinical tasks.
Methods: This study modifies the DOPS to evaluate the operation of insulin pumps (PUMP) and continuous glucose monitoring systems (CGMS) in diabetes management.
J Chromatogr A
February 2025
Analytical Chemistry Group, Van 't Hoff Institute for Molecular Sciences, Science Park 904, the Netherlands; Centre for Analytical Sciences Amsterdam (CASA), Amsterdam, the Netherlands; AI4Science Lab, Informatics Institute, University of Amsterdam, Science Park 904, the Netherlands. Electronic address:
Optimization algorithms play an important role in method development workflows for gradient elution liquid chromatography. Their effectiveness has not been evaluated for chromatographic method development using standardized comparisons across factors such as sample complexity, chromatographic response functions (CRFs), gradient complexity, and application type. This study compares six optimization algorithms - Bayesian optimization (BO), differential evolution (DE), a genetic algorithm (GA), covariance-matrix adaptation evolution strategy (CMA-ES), random search, and grid search - for the development of gradient elution LC methods.
View Article and Find Full Text PDFChem Sci
December 2024
Shenzhen Grubbs Institute, Department of Chemistry, Guangdong Provincial Key Laboratory of Catalysis, Southern University of Science and Technology Shenzhen 518055 China
Distortion can play crucial roles in influencing structures and properties, as well as enhancing reactivity or selectivity in many chemical and biological systems. The distortion/interaction or activation-strain model is a popular and powerful method for deciphering the origins of activation energies, in which distortion and interaction energies dictate an activation energy. However, decomposition of local distortion energy at the atomic scale remains less clear and straightforward.
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