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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 PDFXOR-Derived ROS in Tie2-Lineage Cells Including Endothelial Cells Promotes Aortic Aneurysm Progression in Marfan Syndrome.
Arterioscler Thromb Vasc Biol
January 2025
Department of Cardiovascular Medicine, The University of Tokyo, Bunkyo-ku, Japan. (H. Yagi, H.A., Q.L., A.S.-K., M.U., H.K., R.M., A.S., S.O., H.T., Norifumi Takeda, I.K.).
Background: Marfan syndrome (MFS) is an inherited disorder caused by mutations in the gene encoding fibrillin-1, a matrix component of extracellular microfibrils. The main cause of morbidity and mortality in MFS is thoracic aortic aneurysm and dissection, but the underlying mechanisms remain undetermined.
Methods: To elucidate the role of endothelial XOR (xanthine oxidoreductase)-derived reactive oxygen species in aortic aneurysm progression, we inhibited in vivo function of XOR either by endothelial cell (EC)-specific disruption of the gene or by systemic administration of an XOR inhibitor febuxostat in MFS mice harboring the missense mutation p.
Finding a "NEW VOICE to tell my story" through the Unmasking Brain Injury project: a mixed-method analysis of wellness after brain injury.
Disabil Rehabil
January 2025
Courage Kenny Rehabilitation Institute, Allina Health, Minneapolis, MN, USA.
Purpose: This study aimed to explore the narratives of people with acquired brain injury (ABI) who participated in the Unmasking Brain Injury project. Through this inquiry, the multifaceted nature of wellbeing after ABI was described in the narratives, which were characterized by identifying facilitators and barriers to overall wellness.
Methods: A mixed-methods approach was utilized for this study.
Insight into the Role and Evidence of Oxygen Vacancies in Porous Single-Crystalline Oxide to Enhance Catalytic Activity and Durability.
Research (Wash D C)
September 2023
Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, China.
Introducing and stabilizing oxygen vacancies in oxide catalysts is considered to be a promising strategy for improving catalytic activity and durability. Herein, we quantitatively create oxygen vacancies in the lattice of porous single-crystalline β-GaO monoliths by reduction treatments and stabilize them through the long-range ordering of crystal lattice to enhance catalytic activity and durability. The combination analysis of time-of-flight neutron powder diffraction and extended x-ray absorption fine structure discloses that the preferential generation of oxygen vacancy tends to occur at the site of tetrahedral coordination oxygen ions (O sites), which contributes to the formation of unsaturated Ga-O coordination in the monoclinic phase.
View Article and Find Full Text PDFBarriers and facilitators for healthcare access among immigrants in Japan: a mixed methods systematic review and meta-synthesis.
Lancet Reg Health West Pac
January 2025
Department of Public Health, Institute of Science Tokyo, Tokyo, Japan.
Background: While Japan provides universal healthcare, immigrants may experience hampered access to healthcare. A comprehensive review of immigrant healthcare access is also lacking. This systematic review aims to examine barriers and facilitators of healthcare access among immigrants in Japan.
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