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Investigating the decomposition mechanism of DNAN/DNB cocrystal explosive under high temperature using ReaxFF/lg molecular dynamics simulations.
J Mol Model
January 2025
Shanxi Jiangyang Chemical Limited Company, Taiyuan, 030041, Shanxi, China.
Context: DNAN/DNB cocrystals, as a newly developed type of energetic material, possess superior safety and thermal stability, making them a suitable alternative to traditional melt-cast explosives. Nonetheless, an exploration of the thermal degradation dynamics of the said cocrystal composite has heretofore remained uncharted. Consequently, we engaged the ReaxFF/lg force field modality to delve into the thermal dissociation processes of the DNAN/DNB cocrystal assembly across a spectrum of temperatures, encompassing 2500, 2750, 3000, 3250, and 3500 K.
View Article and Find Full Text PDFData-Driven Discovery of High-Performance Heterobilayer Transition Metal Dichalcogenide-Based Sliding Ferroelectrics.
ACS Appl Mater Interfaces
January 2025
Department of Mechanical Engineering, National University of Singapore, Singapore 117575, Singapore.
The development of efficient sliding ferroelectric (FE) materials is crucial for advancing next-generation low-power nanodevices. Currently, most efforts focus on homobilayer two-dimensional materials, except for the experimentally reported heterobilayer sliding FE, MoS/WS. Here, we first screened 870 transition metal dichalcogenide (TMD) bilayer heterostructures derived from experimentally characterized monolayer TMDs and systematically investigated their sliding ferroelectric behavior across various stacking configurations using high-throughput calculations.
View Article and Find Full Text PDFInformed choices for some, but not for others: An exploration of Australian midlife women's participation in mammography screening by social class.
Womens Health (Lond)
January 2025
Research Centre for Public Health, Equity and Human Flourishing, Torrens University Australia, Adelaide, SA, Australia.
Background: Population-level mammography screening for early detection of breast cancer is a secondary prevention measure well-embedded in developed countries, and the implications for women's health are widely researched. From a public health perspective, efforts have focused on why mammography screening rates remain below the 70% screening rate required for effective population-level screening. From a sociological perspective, debates centre on whether 'informed choice' regarding screening exists for all women and the overemphasis on screening benefits, at the cost of not highlighting the potential harms.
View Article and Find Full Text PDFAtypical Patients With Severe Fever With Thrombocytopenia Syndrome.
J Med Virol
January 2025
State Key Laboratory of Pathogen and Biosecurity, Academy of Military Medical Science, Beijing, China.
Severe fever with thrombocytopenia syndrome (SFTS) is an emerging tick-borne disease with a high fatality rate. The clinical diagnosis criteria mainly rely on white blood cell (WBC) and platelet (PLT), which, however, are of limited usage in identifying atypical SFTS. A multicenter study was performed in two hospitals from 2011 to 2023.
View Article and Find Full Text PDFIntroduction: 58 million people worldwide are chronically infected with hepatitis C virus (HCV) and are at risk of developing cirrhosis and hepatocellular carcinoma (HCC). Direct-acting antivirals are highly effective; however, they are burdened by high costs and the unchanged risk of HCC and reinfection, making prophylactic countermeasures an urgent medical need. HCV high genetic diversity is one of the main obstacles to vaccine development.
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