The reaction of 2,4,6-triaryl-λ-phosphinine-Cr(CO)-π-complexes with [Rh(COD)]BF leads to unusual diamagnetic Rh-dimers, which contain two phosphinine-π-complexes acting as a bridging 2e-ligand towards the Rh(CO) core. These compounds represent a missing coordination mode for the aromatic 6-membered phosphorus heterocycle.
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http://dx.doi.org/10.1039/d2cc01817a | DOI Listing |
J Am Soc Nephrol
January 2025
Rutgers Robert Wood Johnson Medical School, New Brunswick, NJ, USA.
Background: Chronic kidney disease (CKD) is associated with higher risk of myocardial infarction and anemia. Among patients with anemia and CKD who experience myocardial infarction, it remains uncertain if a liberal red blood cell transfusion threshold strategy (hemoglobin cutoff [Hgb] < 10 g/dL) is superior to a restrictive transfusion threshold (Hgb 7-8 g/dL) strategy.
Methods: Among the 3,504 patients enrolled in the Myocardial Ischemia and Transfusion (MINT) trial with non-missing creatinine, we compared baseline characteristics and 30-day and 6-month outcomes of patients without CKD (N = 1279), CKD with eGFR 30-60 mL/min/1.
Bioinformatics
January 2025
Department of Molecular Genetics, University of Toronto, Ontario, M5S 3K3, Canada.
Motivation: Accurate prediction of protein side-chain conformations is necessary to understand protein folding, protein-protein interactions and facilitate de novo protein design.
Results: Here we apply torsional flow matching and equivariant graph attention to develop FlowPacker, a fast and performant model to predict protein side-chain conformations conditioned on the protein sequence and backbone. We show that FlowPacker outperforms previous state-of-the-art baselines across most metrics with improved runtime.
Reprod Health
January 2025
Department of Public Health, Institute of Tropical Medicine, Antwerp, Belgium.
Background: Over one-third of the global stillbirth burden occurs in countries affected by conflict or a humanitarian crisis, including Afghanistan. Stillbirth rates in Afghanistan remained high in 2021 at over 26 per 1000 births. Stillbirths have devastating physical, psycho-social and economic impacts on women, families and healthcare providers.
View Article and Find Full Text PDFJ Chem Phys
January 2025
Division of Energy, Matter and Systems, School of Science and Engineering, University of Missouri-Kansas City, Kansas City, Missouri 64110, USA.
Developing efficient path integral (PI) methods for atomistic simulations of vibrational spectra in heterogeneous condensed phases and interfaces has long been a challenging task. Here, we present the h-CMD method, short for hybrid centroid molecular dynamics, which combines the recently introduced fast quasi-CMD (f-QCMD) method with fast CMD (f-CMD). In this scheme, molecules that are believed to suffer more seriously from the curvature problem of CMD, e.
View Article and Find Full Text PDFFront Reprod Health
December 2024
Bureau of Global Health Security and Diplomacy, President's Emergency Plan for AIDS Relief (PEPFAR), Office of Program Impact, Monitoring, and Epidemiology (PRIME), U.S. Department of State, Washington, DC, United States.
Background: In 2023, an estimated 1.3 million people newly acquired HIV. In the same year, 3.
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