Recently a theoretical treatment (J. Phys. Chem. B 2009, 113, 2398-2404) was developed for predicting the standard state thermodynamic properties of electrolytes up to and beyond the critical temperature of water (1273 K and at pressures up to 1000 MPa). In general, the model requires sufficient data at 298.15 K including the Gibbs free energy of hydration and at two higher temperatures to fix two constants for each electrolyte. This communication describes an extension of this "two constant" theory to thermodynamic properties of polyatomic ions for which no accurate data for the Gibbs free energy of hydration exits at 298.15 K.
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Sci Rep
December 2024
Research Group On Adsorptive and Catalytic Process Engineering (ENGEPAC), Federal University of Santa Maria, Av. Roraima, 1000-8, Santa Maria, RS, 97105-900, Brazil.
This paper presented the preparation, characterization, and adsorption properties of Brazil nut shell activated carbon for catechol removal from aqueous solutions. The equilibrium adsorption of catechol molecules on this activated was experimentally quantified at pH 6 and temperatures ranging from 25 to 55 °C, and at 25 °C and pH ranging from 6 to 10. These results were utilized to elucidate the role of surface functionalities through statistical physics calculations.
View Article and Find Full Text PDFArch Razi Inst
June 2024
Department of Biotechnology and Microbiology, Karnatak University, Dharwad (Karnataka, India).
Lipases are triacylglycerol hydrolases with various potential applications because of their different physical properties. Most lipase producers are extracellular in nature and are created using solid-state fermentation and submerged fermentation methods. The fungal, mycelial, and yeast lipases are produced using various solid substrates through the solid-state fermentation method.
View Article and Find Full Text PDFAntiviral Res
December 2024
Department of Biochemistry and Pharmacology, University of Melbourne, Parkville, VIC 3010, Australia; Bio21 Molecular Science and Biotechnology Institute, University of Melbourne, Parkville, VIC 3010, Australia. Electronic address:
The Phosphoprotein (P protein) of the rabies virus has multiple roles in virus replication. A critical function is to act as a cofactor in genome replication and mRNA production through binding via its N-terminal region to the L protein, the essential enzyme for mRNA and genome synthesis/processing, and via its C-terminal domain (P) to the N protein and viral RNA (N-RNA) ribonucleoprotein complex. The binding site of the P on the N protein is a disordered loop that is expected to be phosphorylated at Ser389.
View Article and Find Full Text PDFJACS Au
December 2024
Department of Chemical and Biomolecular Engineering, Lehigh University, Bethlehem, Pennsylvania 18015, United States.
Understanding the origin and effect of the confinement of molecules and transition states within the micropores of a zeolite can enable targeted design of such materials for catalysis, gas storage, and membrane-based separations. Linear correlations of the thermodynamic parameters of molecular adsorption in zeolites have been proposed; however, their generalizability across diverse molecular classes and zeolite structures has not been established. Here, using molecular simulations of >3500 combinations of adsorbates and zeolites, we show that linear trends hold in many cases; however, they collapse for highly confined systems.
View Article and Find Full Text PDFACS Appl Energy Mater
December 2024
Department of Mathematics, Physics and Electrical Engineering, Northumbria University, Newcastle-upon-Tyne NE1 8QH, United Kingdom.
The chalcogenide perovskite BaZrS has strong visible light absorption and high chemical stability, is nontoxic, and is made from earth-abundant elements. As such, it is a promising candidate material for application in optoelectronic technologies. However, the synthesis of BaZrS thin-films for characterization and device integration remains a challenge.
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