We have investigated the mechanism of the nucleation of acetaminophen on poly(methyl-methacrylate) and poly(vinyl-acetate) utilizing a combination of quantum mechanical computations and electrostatic models. We have used a heterogeneous dielectric solvation model to determine the stability of different orientations of acetaminophen on polymer surfaces. We find that for the nucleation of acetaminophen on the polymer surfaces in vacuum, the most stable orientation is a flat orientation. For the nucleation process in solution where acetaminophen and the polymer surface are surrounded by a solvent, we find that the heterogeneous dielectric solvation model predicts that a sideways orientation is the most stable orientation.
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http://dx.doi.org/10.1007/s00894-018-3657-0 | DOI Listing |
Langmuir
January 2025
National Key Laboratory of Oil and Gas Reservoir Geology and Exploitation, Southwest Petroleum University, Chengdu 610500, P. R. China.
To balance the stability and dissolution of polyacrylamide (PAM), emulsion drag reducers dominate the successful operation of volumetric fracturing. Herein, a pH-switchable four-tailed ionic liquid surfactant (OA/Cyclen) is synthesized by oleic acid (OA) and 1,4,7,10-tetraazacyclododecane (Cyclen). The four-tailed structure of OA/Cyclen enhances the stability of the emulsion polymerization reactor and supplies enough switchable sites for triggering the intensified release of the PAM emulsion.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Department of Pharmacy, The First Affiliated Hospital of USTC; Division of Life Sciences and Medicine, University of Science and Technology of China, Anhui Provincial Key Laboratory of Precision Pharmaceutical Preparation and Clinical Pharmacy, Hefei, Anhui 230026, China.
Inhibitors of the PD-1/PD-L1 immune checkpoint have revolutionized cancer treatment. However, the clinical response remains limited, with only 20% of patients benefiting from treatment and approximately 60% of PD-L1-positive patients exhibiting resistance. One key factor contributing to resistance is the externalization of phosphatidylserine (PS) on the surface of cancer cells, which suppresses immune responses and promotes PD-L1 expression, further hindering the efficacy of PD-L1 blockade therapies.
View Article and Find Full Text PDFFoods
December 2024
Instituto de Ciencia y Tecnología de los Alimentos Córdoba (ICYTAC-CONICET), Universidad Nacional de Córdoba, Av. Filloy S/N, Ciudad Universitaria, Córdoba CP 5000, Argentina.
The morphology of wheat starch granules with different damaged starch (DS) content was analyzed using a particle size analyzer and scanning electron microscopy (SEM); the granular structure was studied using FT-IR spectroscopy and X-ray diffraction (XRD); and the granule-water interaction was evaluated by thermogravimetric analysis (TGA) and dynamic vapor sorption (DVS). The increase in the level of DS shifted the population of B-type granules towards larger particle diameters and shifted the population of A-type granules towards smaller particle diameters. The appearance of the surface of the starch-damaged granules was rough and flaky (SEM images).
View Article and Find Full Text PDFInt J Mol Sci
December 2024
Department of Materials Engineering, Faculty of Materials Engineering and Physics, Cracow University of Technology, 37 Jana Pawla II Av., 31-864 Krakow, Poland.
Hydrogels are three-dimensional polymeric matrices capable of absorbing significant amounts of water or biological fluids, making them promising candidates for biomedical applications such as drug delivery and wound healing. In this study, novel hydrogels were synthesized using a photopolymerization method and modified with cisplatin-loaded protein carriers, as well as natural extracts of nettle () and chamomile ( L.).
View Article and Find Full Text PDFInt J Mol Sci
December 2024
College of Urban and Environmental Sciences, Northwest University, Xi'an 710127, China.
The rising concentration of microplastics (MPs) in aquatic environments poses increasing ecological risks, yet their impacts on biological communities remain largely unrevealed. This study investigated how aminopolystyrene microplastics (PS-NH) affect physiology and gene expression using the freshwater alga sp. as the test species.
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