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作者：Zhang, Daniel T.; Baldauf, Lukas; Roet, Sander; Lervik, Anders; van Erp, Titus S.
作者单位：Norwegian University of Science & Technology (NTNU); Utrecht University
摘要：Capturing rare yet pivotal events poses a significant challenge for molecular simulations. Path sampling provides a unique approach to tackle this issue without altering the potential energy landscape or dynamics, enabling recovery of both thermodynamic and kinetic information. However, despite its exponential acceleration compared to standard molecular dynamics, generating numerous trajectories can still require a long time. By harnessing our recent algorithmic innovations-particularly subtra...
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作者：Kempes, Christopher P.
作者单位：The Santa Fe Institute
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作者：Li, Qi; Tangry, Vasudev; Allen, David P.; Seibert, Kevin D.; Qian, Ken K.; Wagner, Norman J.
作者单位：University of Delaware; Eli Lilly
摘要：Acylated peptides composed of glucagon-like peptide- 1 receptor agonists modified with a fatty acid side chain are an important class of therapeutics for type 2 diabetes and obesity but are susceptible to an unusual physical instability in the presence of hydrophobic surfaces, i.e., spontaneous emulsification, also known as ouzo formation in practice. In this work, light scattering, small - angle X - ray scattering, and circular dichroism measurements are used to characterize the physical prop...
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作者：Li, Yang; Zuo, Shouwei; Wei, Fen; Chen, Cailing; Zhang, Guikai; Zhao, Xiaojuan; Wu, Zhipeng; Wang, Sibo; Zhou, Wei; Rueping, Magnus; Han, Yu; Zhang, Huabin
作者单位：King Abdullah University of Science & Technology; Fuzhou University; King Abdullah University of Science & Technology; Chinese Academy of Sciences; Institute of High Energy Physics, CAS; Tianjin University
摘要：Carbon - based single - atom catalysts, a promising candidate in electrocatalysis, offer insights into electron- donating effects of metal center on adjacent atoms. Herein, we present a practical strategy to rationally design a model catalyst with a single zinc (Zn) atom coordinated with nitrogen and sulfur atoms in a multilevel carbon matrix. The Zn site exhibits an atomic interface configuration of ZnN4S1, where Zn's electron injection effect enables thermal- neutral hydrogen adsorption on n...
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作者：Sparks, Matt S.; Farahbakhsh, Isaiah; Anand, Madhur; Bauch, Chris T.; Conlon, Kathryn C.; East, James D.; Li, Tianyuan; Lickley, Megan; Garcia-Menendez, Fernando; Monier, Erwan; Saari, Rebecca K.
作者单位：University of Waterloo; University of Guelph; University of Waterloo; University of California System; University of California Davis; University of California System; University of California Davis; North Carolina State University; Massachusetts Institute of Technology (MIT); University of California System; University of California Davis; Harvard University; Georgetown University
摘要：Future climate change can cause more days with poor air quality. This could trigger more alerts telling people to stay inside to protect themselves, with potential consequences for health and health equity. Here, we study the change in US air quality alerts over this century due to fine particulate matter (PM2.5), who they may affect, and how they may respond. We find air quality alerts increase by over 1 mo per year in the eastern United States by 2100 and quadruple on average. They predomina...
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作者：Wei, Shu-Yi; Fu, Wei-Shan; Liu, Chang-Hsuan; Wang, Wei-Li; Shih, Yu-Tsung; Chien, Shu; Chiu, Jeng-Jiann
作者单位：National Health Research Institutes - Taiwan; Taipei Medical University; University of California System; University of California San Diego; University of California System; University of California San Diego; University of California System; University of California San Diego; Taipei Medical University; Taipei Medical University; National Tsing Hua University
摘要：Several compounds have been used for atherosclerosis treatment, including clinical trials; however, no anti- atherosclerotic drugs based on hemodynamic force- mediated atherogenesis have been discovered. Our previous studies demonstrated that small mothers against decapentaplegic homolog 1/5 (Smad1/5) is a convergent signaling molecule for chemical [e.g., bone morphogenetic proteins (BMPs)] and mechanical (e.g., disturbed flow) stimulations and hence may serve as a promising hemodynamic-based ...
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作者：Wu, Su; Wagner, Gerhard
作者单位：Harvard University; Harvard Medical School
摘要：The canonical eukaryotic initiation factor 4F (eIF4F) complex, composed of eIF4G1, eIF4A1, and the cap- binding protein eIF4E, plays a crucial role in cap- dependent translation initiation in eukaryotic cells. An alternative cap- independent initiation can occur, involving only eIF4G1 and eIF4A1 through internal ribosome entry sites (IRESs). This mechanism is considered complementary to cap- dependent initiation, particularly in tumors under stress conditions. However, the selection and molecu...
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作者：Jiao, Liqing; Tapponnier, Paul; Mccallum, Aurelie Coudurier- Curveur; Xu, Xiwei
作者单位：China Geological Survey; Chinese Academy of Geological Sciences; China University of Geosciences
摘要：Trans-Himalayan geodetic data show that, between both syntaxes, India/Asia convergence is steadily oriented approximate to N20 degrees E. However, surface faulting near both syntaxes, along the 2005 and 1950 earthquake ruptures, imply long-term thrusting directed approximate to 130 degrees apart, and post-LGM (last Glacial Maximum) shortening rates of approximate to 5 to 6 mm/y, approximate to 2 to 3 times slower than in Nepal (approximate to 15 to 20 mm/y). Syntaxial earthquakes' return-time ...
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作者：Zhong, Xue; Moresco, James J.; Diedrich, Jolene K.; Pinto, Antonio F. M.; SoRelle, Jeffrey A.; Wang, Jianhui; Keller, Katie; Ludwig, Sara; Moresco, Eva Marie Y.; Saghatelian, Alan; Yates, John R., III; Beutler, Bruce; Choi, Jin Huk
作者单位：Salk Institute
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作者：Allan, Richard P.; Douville, Herve
作者单位：University of Reading; UK Research & Innovation (UKRI); Natural Environment Research Council (NERC); NERC National Centre for Earth Observation; University of Reading; Meteo France; Centre National de la Recherche Scientifique (CNRS); Universite de Toulouse
