The effect of pressure on structure and water speciation in hydrated liquid silica is examined over a range of temperatures and compositions. The Feuston-Garofalini (FG) potential is used in isobaric-isothermal Monte Carlo simulations carried out at four pressures (0.25, 1.0, 2.5, and 10 GPa) for seven temperatures (2000 < or = T < or= 9000 K) and five compositions (0.0 < or = x_w < or = 0.4). The FG potential yields a stable melt phase for p > or = 1.0 GPa and/or x_w < or = 0.1 for all temperatures. The volume minimum seen in previous simulations of pure and hydrated liquid silica using the FG potential persists up to 2.5 GPa but is no longer evident at 10 GPa. This is correlated with gradual structural changes of the liquid up to 2.5 GPa and with more significant changes at 10 GPa. Even at high overall concentrations of water (x_w = 0.4), only about 2% of oxygen atoms are present as molecular water species at the lowest temperature. This percentage decreases with increasing pressure and temperature.
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Molecules
December 2024
Faculty of Chemistry, University of Gdansk, Wita Stwosza 63, 80-308 Gdansk, Poland.
Gold nanoparticles (Au NPs) are a promising target for research due to their small size and the resulting plasmonic properties, which depend, among other things, on the chosen reducer. This is important because removing excess substrate from the reaction mixture is problematic. However, Au NPs are an excellent component of various materials, enriching them with their unique features.
View Article and Find Full Text PDFMaterials (Basel)
December 2024
Faculty of Metals Engineering and Industrial Computer Science, AGH University of Krakow, Mickiewicza 30, 30-059 Krakow, Poland.
The modern metallurgical industry produces approximately 90% of the volume of all produced steel; for this, integrated technology based on fossil materials such as coal, fluxes, and especially iron ore is used. This industry generates large amounts of waste and by-products at almost all stages of production. Alternative iron and steel production technologies based on iron ore, methane, or pure hydrogen are also not waste-free.
View Article and Find Full Text PDFInt J Pharm
December 2024
Department of Chemical Engineering and Biotechnology, University of Cambridge, Philippa Fawcett Drive, Cambridge, CB3 0AS, UK. Electronic address:
Pharmaceutical tablets are routinely film-coated to improve appearance, reduce medication errors and enhance storage stability. Terahertz pulsed imaging (TPI) can be utilised to study the liquid penetration into the porous tablet matrix in real time. Using polymer-coated flat-faced tablets with anhydrous lactose or mannitol, we show that when the tablet matrix contains anhydrous material, the anhydrous form transforms to the solid-state hydrate form in the tablet core while the immediate release coating dissolves.
View Article and Find Full Text PDFInt J Nanomedicine
December 2024
Department of Pharmaceutical Technology, Faculty of Pharmacy, University of Ljubljana, Ljubljana, Slovenia.
Purpose: Atopic dermatitis (AD) is the most common chronic inflammatory skin disease that severely impairs patient's life quality and represents significant therapeutic challenge due to its pathophysiology arising from skin barrier dysfunction. Topical corticosteroids, the mainstay treatment for mild to moderate AD, are usually formulated into conventional dosage forms that are impeded by low drug permeation, resulting in high doses with consequent adverse effects, and also lack properties that would strengthen the skin barrier. Herein, we aimed to develop biomimetic lamellar lyotropic liquid crystals (LLCs), offering a novel alternative to conventional AD treatment.
View Article and Find Full Text PDFEnviron Sci Technol
December 2024
Department of Chemistry and Biochemistry, Montana State University, Bozeman, Montana 59717, United States.
Independent methods show that sub-microMolar concentrations of perfluorooctanoic acid (PFOA), a member of the PFAS family of "forever chemicals", change the properties of DPPC vesicle bilayers. Specifically, calorimetry measurements show that PFOA at concentrations as low as 0.1 nM lowers DPPC's gel-liquid crystalline transition enthalpy by several J/g without changing the transition temperature (), and dynamic light scattering (DLS) data illustrate that PFOA markedly broadens the size distribution of DPPC vesicles.
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