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Investigation on the Heating Effects of Intra-Tumoral Injectable Magnetic hydrogels (IT-MG) for Cancer Hyperthermia.
Biomed Phys Eng Express
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Biomedical Engineering , University of Wisconsin-Milwaukee College of Engineering and Applied Science, 3203 N Downer Ave, Milwaukee, Milwaukee, Wisconsin, 53211-3029, UNITED STATES.
Capacitive-based radiofrequency (Rf) radiation at 27 MHz offers a non-invasive approach for inducing hyperthermia, making it a promising technique for thermal cancer therapy applications. To achieve focused and site-specific hyperthermia, external material is required that efficiently convert Rf radiation into localized heat. Nanomaterials capable of absorbing Rf energy and convert into heat for targeted ablation are of critical importance.
View Article and Find Full Text PDFWhere Does the Proton Go? Structure and Dynamics of Hydrogen-Bond Switching in Aminophosphine Chalcogenides.
Angew Chem Int Ed Engl
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University of Regensburg, Faculty of Chemistry and Pharmacy, Institute of Inorganic Chemistry, Universitätsstraße 31, D-93053, Regensburg, GERMANY.
Aminophosphates are the focus of research on prebiotic phosphorylation chemistry. Their bifunctional nature also makes them a powerful class of organocatalysts. However, the structural chemistry and dynamics of proton-binding in phosphorylation and organocatalytic mechanisms are still not fully understood.
View Article and Find Full Text PDFProbing Impact of Support Pore Diameter on Three-phase Interfaces of Pt/C Catalysts by Molecular Dynamic Simulation.
ACS Appl Mater Interfaces
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State Key Laboratory of Advanced Chemical Power Sources (Chongqing University), Chongqing 400044, China.
Investigating how the size of carbon support pores influences the three-phase interface of platinum (Pt) particles in fuel cells is essential for enhancing catalyst utilization. This study employed molecular dynamics simulations and density functional theory calculation to examine the effects of mesoporous carbon support size, specifically its pore diameter, on Nafion ionomer distribution, as well as on proton and gas/liquid transport channels, and the utilization of Pt active sites. The findings show that when Pt particles are located within the pores of carbon support (Pt/PC), there is a significant enhancement in the spatial distribution of Nafion ionomer, along with a reduction in encapsulation around the Pt particles, compared to when Pt particles are positioned on the surface or in excessively large pores of the carbon support.
View Article and Find Full Text PDFBiophysical modeling and experimental analysis of the dynamics of C. elegans body-wall muscle cells.
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School of Mathematical Sciences, Shanghai Jiao Tong University, Shanghai, China.
This study combines experimental techniques and mathematical modeling to investigate the dynamics of C. elegans body-wall muscle cells. Specifically, by conducting voltage clamp and mutant experiments, we identify key ion channels, particularly the L-type voltage-gated calcium channel (EGL-19) and potassium channels (SHK-1, SLO-2), which are crucial for generating action potentials.
View Article and Find Full Text PDFIntegrated in silico and in vitro exploration of the anti-VEGFR-2 activities of a semisynthetic xanthine alkaloid inhibiting breast cancer.
PLoS One
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Pharmaceutical Medicinal Chemistry & Drug Design Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo, Egypt.
This study presents T-1-NBAB, a new compound derived from the natural xanthine alkaloid theobromine, aimed at inhibiting VEGFR-2, a crucial protein in angiogenesis. T-1-NBAB's potential to interacts with and inhibit the VEGFR-2 was indicated using in silico techniques like molecular docking, MD simulations, MM-GBSA, PLIP, essential dynamics, and bi-dimensional projection experiments. DFT experiments was utilized also to study the structural and electrostatic properties of T-1-NBAB.
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