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KaMLs for Predicting Protein p Values and Ionization States: Are Trees All You Need?
J Chem Theory Comput
January 2025
Department of Pharmaceutical Sciences, University of Maryland School of Pharmacy, Baltimore, Maryland 21201, United States.
Despite its importance in understanding biology and computer-aided drug discovery, the accurate prediction of protein ionization states remains a formidable challenge. Physics-based approaches struggle to capture the small, competing contributions in the complex protein environment, while machine learning (ML) is hampered by the scarcity of experimental data. Here, we report the development of p ML (KaML) models based on decision trees and graph attention networks (GAT), exploiting physicochemical understanding and a new experiment p database (PKAD-3) enriched with highly shifted p's.
View Article and Find Full Text PDFEmergent Carotid Stenting During Thrombectomy in Tandem Occlusions Secondary to Dissection: A STOP-CAD Secondary Study.
Stroke
January 2025
Neurology. Universitat Autònoma de Barcelona, Univ Hosp Vall d'Hebron, SPAIN.
The optimal endovascular management of cervical carotid dissection causing tandem occlusion remains uncertain. We investigated the impact of emergent carotid stenting during endovascular treatment (EVT) for acute ischemic stroke (AIS) in patients with tandem occlusion secondary to cervical carotid artery dissection. This was a secondary analysis of patients treated with EVT for AIS due to occlusive carotid artery dissection and tandem occlusion included in the retrospective international Antithrombotic Treatment for Stroke Prevention in Cervical Artery Dissection (STOP-CAD) study.
View Article and Find Full Text PDFHigh Glucose Treatment Induces Nuclei Aggregation of Microvascular Endothelial Cells via the - Pathway.
Arterioscler Thromb Vasc Biol
January 2025
Research Center of Clinical Medicine, Affiliated Hospital, Nantong University, China. (X.W., D.L.).
Background: Hyperglycemia is a major contributor to endothelial dysfunction and blood vessel damage, leading to severe diabetic microvascular complications. Despite the growing body of research on the underlying mechanisms of endothelial cell (EC) dysfunction, the available drugs based on current knowledge fall short of effectively alleviating these complications. Therefore, our endeavor to explore novel insights into the cellular and molecular mechanisms of endothelial dysfunction is crucial for the field.
View Article and Find Full Text PDFUS general population food allergy treatment preferences: a discrete choice experiment.
Curr Med Res Opin
January 2025
Northwestern Medicine, Feinberg School of Medicine, Chicago, IL, United States.
Objective: To quantify treatment preferences for food allergy management options (oral immunotherapy, biologic therapy, and allergen avoidance), overall and by sociodemographic strata.
Methods: A US general population (≥13 years) discrete choice experiment (DCE) conducted comprised of 12 treatment-feature focused DCE choice sets; the Intolerance of Uncertainty─12 Scale (IUS-12); and clinical/demographic questions. Conditional logistic regression analyses were conducted overall and by age, income, urbanization, educational attainment, food and other sociodemographic factors, and presented as odds ratios (ORs) with 95% confidence intervals (CIs).
Potential Infectious Complications in Pig Xenograft Donors and Recipients.
Transpl Int
January 2025
Department of Biological and Biomedical Sciences, School of Health and Life Sciences, Glasgow Caledonian University, Glasgow, Scotland, United Kingdom.
Preclinical and clinical xenotransplantation trials have shown that successful outcomes depend on a number of factors including the prevention of xenozoonoses. Preclinical trials involving pig kidneys and hearts transplanted into various non-human primates have revealed the potential impact of pig pathogens being present in the transplanted organ/tissue, mainly viruses. The concept of "designated pathogen-free donor animals" was developed to ensure elimination of pathogens during the breeding of donor animals to mitigate this occurrence.
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