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Objective: This quality improvement initiative aimed to increase the rate of provider screening and documentation of contraception use for reproductive-aged women seen in an academic rheumatology fellows' clinic to >50% by 24 weeks, with sustained improvement at one year.
Methods: With a multidisciplinary team, we devised and implemented six interventional cycles over 24 weeks informed by key stakeholder survey responses. The primary outcome measure was the percentage of eligible visits with contraception information documented in the structured electronic health record field.
Electronic dynamics created at conical intersections and its dephasing in aqueous solution.
Nat Phys
November 2024
Laboratory of Physical Chemistry, ETH Zürich, Zurich, Switzerland.
A dynamical rearrangement in the electronic structure of a molecule can be driven by different phenomena, including nuclear motion, electronic coherence or electron correlation. Recording such electronic dynamics and identifying its fate in an aqueous solution has remained a challenge. Here, we reveal the electronic dynamics induced by electronic relaxation through conical intersections in both isolated and solvated pyrazine molecules using X-ray spectroscopy.
View Article and Find Full Text PDFPUR-GEN: A web server for automated generation of polyurethane fragment libraries.
Comput Struct Biotechnol J
December 2024
Tunneling Group, Biotechnology Centre, Silesian University of Technology, Bolesława Krzywoustego 8, Gliwice 44-100, Poland.
The biodegradation of synthetic polymers offers a promising solution for sustainable plastic recycling. Polyurethanes (PUR) stand out among these polymers due to their susceptibility to enzymatic hydrolysis. However, the intricate 3D structures formed by PUR chains present challenges for biodegradation studies, both computational and experimental.
View Article and Find Full Text PDFEngineering perfluoroarenes for enhanced molecular barrier effect and chirality transfer in solutions.
Chem Sci
January 2025
School of Chemistry and Chemical Engineering, Shandong University Jinan 250100 PR China
Noncovalent forces have a significant impact on photophysical properties, and the flexible employment of weak forces facilitates the design of novel luminescent materials with a variety of applications. The arene-perfluoroarene (AP) force, as one type of π-hole/π interaction, shows unique directionality, involving an electron-deficient π-hole interacting with a π-electron-rich region, facilitating precise orientation and stabilization in supramolecular structures. Here we present an amination engineering protocol to build a perfluoroarene library based on an octafluoronaphthalene skeleton with various steric and electronic properties.
View Article and Find Full Text PDFHydrothermal carbonization (HTC) of carbohydrates has been reported as a sustainable and green technique to produce carbonaceous micro- and nano-materials. These materials have been developed for several applications, including catalysis, separation science, metal ion adsorption and nanomedicine. Carbon nanoparticles (CNPs) obtained through HTC are particularly interesting for the latter application since they exhibit photothermal properties when irradiated with near-infrared (NIR) light, act as an antioxidant by scavenging reactive oxygen species (ROS), and present good colloidal stability and biocompatibility.
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