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BaNDyT: Bayesian Network Modeling of Molecular Dynamics Trajectories.
J Chem Inf Model
January 2025
Department of Computational and Quantitative Medicine, Beckman Research Institute of the City of Hope, 1218 S 5th Ave, Monrovia, California 91016, United States.
Bayesian network modeling (BN modeling, or BNM) is an interpretable machine learning method for constructing probabilistic graphical models from the data. In recent years, it has been extensively applied to diverse types of biomedical data sets. Concurrently, our ability to perform long-time scale molecular dynamics (MD) simulations on proteins and other materials has increased exponentially.
View Article and Find Full Text PDFEffect of an Electronic Pill Bottle on Hydroxychloroquine Adherence in Pediatric Lupus: Results of a Novel Direct-to-Family Pilot Trial.
ACR Open Rheumatol
January 2025
Duke University and Duke Clinical Research Institute, Durham, North Carolina.
Objective: The objective of this study was to evaluate the preliminary effectiveness of an electronic pill bottle with automated reminders on hydroxychloroquine (HCQ) adherence in children with pediatric systemic lupus erythematosus (pSLE).
Methods: This was a self-controlled, open label, direct-to-family pilot trial. Children with pSLE treated with HCQ were recruited from the Childhood Arthritis and Rheumatology Research Alliance Registry.
MRI detects tubulointerstitial changes in mouse models of radiation-induced nephropathy.
Magn Reson Med
January 2025
F.M. Kirby Research Center for Functional Brain Imaging, Kennedy Krieger Institute, Baltimore, Maryland, USA.
Purpose: We hypothesized that radiation-induced tubulointerstitial changes in the kidney can be assessed using MRI-based T relaxation time measurements.
Methods: We performed MRI, histology, and serum biochemistry in two mouse models of radiation nephropathy: one involving external beam radiotherapy and the other using internal irradiation with an α-particle-emitting actinium-225 radiolabeled antibody. We compared the mean T values of different renal compartments between control and external beam radiotherapy or α-particle-emitting actinium-225 radiolabeled antibody-treated groups and between the two radiation-treated groups using a Wilcoxon rank-sum test.
Structural insights into the role of the prosegment binding loop in a papain-superfamily cysteine protease from Treponema denticola.
Acta Crystallogr F Struct Biol Commun
February 2025
Department of Structural Biology, Jacobs School of Medicine and Biomedical Sciences, University at Buffalo, State University of New York, Buffalo, New York, USA.
Periodontal diseases afflict 20-50% of the global population and carry serious health and economic burdens. Chronic periodontitis is characterized by inflammation of the periodontal pocket caused by dysbiosis. This dysbiosis is coupled with an increase in the population of Treponema denticola, a spirochete bacterium with high mobility and invasivity mediated by a number of virulence factors.
View Article and Find Full Text PDFVertical Graphene Growth on LDH Nanosheets and Carbon Cloth Nanofibers with NiCo Nanoparticles as a Freestanding Host for High-Performance Lithium-Sulfur Batteries.
J Phys Chem Lett
January 2025
Department of Chemical Engineering, School of Chemistry and Chemical Engineering, Nanchang University, Nanchang 330031, China.
Lithium-sulfur batteries have been recognized as one of the excellent candidates for next-generation energy storage batteries because of their high energy density and low cost and low pollution. However, lithium-sulfur batteries have been challenged by low conductivity, low sulfur utilization, poor cycle life, and the shuttle effect of polysulfides. To address these problems, we report here an independent mixed sulfur host.
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