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http://dx.doi.org/10.1007/s10900-024-01384-z | DOI Listing |
Langmuir
January 2025
Department of Mechanical Engineering, Imperial College London, South Kensington Campus, London SW7 2BX, United Kingdom.
Engine deposits can reduce performance and increase emissions, particularly for modern direct-injection fuel delivery systems. Surfactants known as deposit control additives (DCAs) adsorb and self-assemble on the surface of deposit precursors to keep them suspended in the fuel. Here, we show how molecular simulations can be used to virtually screen the ability of surfactants to bind to polyaromatic hydrocarbons, comprising a major class of carbonaceous deposits.
View Article and Find Full Text PDFJ Chem Phys
January 2025
Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Frontiers Science Center of Molecule Intelligent Syntheses, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai 200062, China.
Molecular dynamics simulations are pivotal in elucidating the intricate properties of biological molecules. Nonetheless, the reliability of their outcomes hinges on the precision of the molecular force field utilized. In this perspective, we present a comprehensive review of the developmental trajectory of the Amber additive protein force field, delving into researchers' persistent quest for higher precision force fields and the prevailing challenges.
View Article and Find Full Text PDFLancet Reg Health Eur
March 2025
Faculty of Pharmacy and Medicine, Sapienza University, Rome, Italy.
Digital technologies can help support the health of migrants and refugees and facilitate research on their health issues. However, ethical concerns include security and confidentiality of information; informed consent; how to engage migrants in designing, implementing and researching digital tools; inequitable access to mobile devices and the internet; and access to health services for early intervention and follow-up. Digital technical solutions do not necessarily overcome problems that are political, social, or economic.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Department of Physics, Riphah International University, Campus Lahore, Lahore 54000, Pakistan.
To advance off-grid energy solutions, developing flexible photobatteries capable of direct light charging is essential. This study presents an innovative photobattery architecture that incorporates zinc oxide (ZnO) as an electron-transporting and hole-blocking layer, combined with a hybrid methylammonium tin iodide composite with poly-triarylamine (MASnI/PTAA) for light absorption and hole transport. PTAA facilitates efficient hole transport to the anode, thereby enhancing charge separation and reducing recombination losses.
View Article and Find Full Text PDFSci Rep
January 2025
Dental Students, College of Medicine and Dentistry, Riyadh Elm University, Riyadh, KSA, Saudi Arabia.
Objective To evaluate the stain resistance and color stability of four Clear aligners (CA) brands against various beverages at different intervals, along with assessing the elaboration of cleaning agents. Methods In a strictly controlled lab environment, 48 CAs from four different companies (Invisalign, EON, Clear Cap, and K clear) were immersed for seven days in six different beverages based on their pH (Pepsi, orange juice, milk, coffee, and black tea), as well as a control solution (distilled water). The VITA Easy-Shade compact colorimeter used the Commission International lightening L*a*b* color scheme to evaluate the color change of the aligners at four intervals.
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