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http://dx.doi.org/10.1016/s0300-9084(71)80105-0 | DOI Listing |
J Chem Theory Comput
January 2025
Department of Chemical and Biomolecular Engineering, University of Notre Dame, Notre Dame, Indiana 46556, United States.
Algorithmic reaction explorations based on transition state searches can now routinely predict relatively short reaction sequences involving small molecules. However, applying these algorithms to deeper chemical reaction network (CRN) exploration still requires the development of more efficient and accurate exploration policies. Here, an exploration algorithm, which we name yet another kinetic strategy (YAKS), is demonstrated that uses microkinetic simulations of the nascent network to achieve cost-effective, deep network exploration.
View Article and Find Full Text PDFJ Nanobiotechnology
January 2025
Department of Interventional Radiology, Key Laboratory of Interventional Radiology of Henan Province, The First Affiliated Hospital of Zhengzhou University, Zhengzhou, 450001, China.
Excessive vascularization during tracheal in-stent restenosis (TISR) is a significant but frequently overlooked issue. We developed an anti-inflammatory coupled anti-angiogenic airway stent (PAGL) incorporating anlotinib hydrochloride and silver nanoparticles using advanced electrospinning technology. PAGL exhibited hydrophobic surface properties, exceptional mechanical strength, and appropriate drug-release kinetics.
View Article and Find Full Text PDFSci Robot
January 2025
Biorobotics Laboratory, Soft Robotics Research Center, Institute of Advanced Machines and Design, Department of Mechanical Engineering, Institute of Engineering, Seoul National University, Seoul, Republic of Korea.
Snap-through, a rapid transition of a system from an equilibrium state to a nonadjacent equilibrium state, is a valuable design element of soft devices for converting a monolithic stimulus into systematic responses with impulsive motions. A common way to benefit from snap-through is to embody it within structures and materials, such as bistable structures. Torque-reversal mechanisms discovered in nature, which harness snap-through instability via muscular forces, may have comparative advantages.
View Article and Find Full Text PDFChronic wounds, due to their high prevalence, are a serious global health concern. Effective therapeutic strategies can significantly accelerate healing, thereby reducing the risk of complications and alleviating the economic burden on healthcare systems. Although numerous experimental studies have investigated wound healing, most rely on qualitative observations or quantitative direct measurements.
View Article and Find Full Text PDFChem Sci
January 2025
School of Chemistry and Chemical Engineering, Anhui University of Technology Ma'anshan 243032 Anhui China
Organic compounds present promising options for sustainable zinc battery electrodes. Nevertheless, the electrochemical properties of current organic electrodes still lag behind those of their inorganic counterparts. In this study, nitro groups were incorporated into pyrene-4, 5, 9, 10-tetraone (PTO), resulting in an elevated discharge voltage due to their strong electron-withdrawing capabilities.
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