In this paper, radiation shielding parameters such as mass attenuation coefficients and half value layer (HVL) of some antioxidants are investigated using MCNPX (version 2.4.0). The validation of the generated MCNPX simulation geometry for antioxidant structures is provided by comparing the results with standard WinXcom data for radiation mass attenuation coefficients of antioxidants. Very good agreement between WİNXCOM and MCNPX was obtained. The results from the validated geometry were used to calculate the shielding parameters of different antioxidants. The radiation attenuation properties of each antioxidant were compared with each other. The results showed that, on average, the highest and the lowest radiation mass attenuation coefficients were observed on hesperidin and delphinidin chloride, respectively. It can be concluded that Monte Carlo simulation is a strong tool and an alternate method where experimental investigations are not possible and a standard simulation setup can be used in further studies for different biological structures. It can also be concluded that the obtained results from this study are very useful for radiology and radiotherapy applications where antioxidants are frequently used.
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http://dx.doi.org/10.1007/s10867-018-9507-6 | DOI Listing |
Polymers (Basel)
January 2025
Faculty of Radiological Technology, Rangsit University, Pathumthani 12000, Thailand.
This study investigates the development of epoxy-resin composites reinforced with coral-derived calcium carbonate (CaCO) fillers for enhanced radiation shielding and mechanical properties. Leveraging the high calcium content and density of coral, composites were prepared with filler weight fractions of 0%, 25%, and 50%. SEM and EDS analyses revealed that higher filler concentrations (50%) increased particle agglomeration, affecting matrix uniformity.
View Article and Find Full Text PDFRadiat Environ Biophys
January 2025
Department of Physics, Yazd University, Yazd, Iran.
Polymer nanocomposites have been investigated as lightweight and suitable alternatives to lead-based clothing. The present study aims to fabricate flexible, lead-free, X-ray-shielding composites using a polyvinyl chloride (PVC) matrix and different nanostructures. Four different nanostructures containing impure tungsten oxide, tungsten oxide (WO), barium tungstate (BaWO), and bismuth tungstate (BiWO) were synthesized through various methods.
View Article and Find Full Text PDFJ Phys Chem A
January 2025
Department of Physics, University of Northeastern, IMIT-CONICET, Av. Libertad, 5500 Corrientes, Argentina.
In this study, we worked at the CCSD/aug-cc-pVTZ level to obtain the conformers of glycine in its neutral and zwitterionic forms in the gas and water phases. We then computed the NMR properties (spin-spin coupling constants and nuclear magnetic shieldings) at the SOPPA/aug-cc-pVTZ-J level. We attempt to elucidate the apparent discrepancy arising from two previous works by Valverde et al.
View Article and Find Full Text PDFMar Environ Res
January 2025
Department of Ocean Studies and Marine Biology, Pondicherry University, Andaman Campus, Andaman & Nicobar Islands, Port Blair, 744112, India. Electronic address:
The hermit crabs are 'ecosystem engineers' and are a critical link in the oceanic food web. Six species of genus Coenobita are reported in the group of Andaman and Nicobar Islands namely, Coenobita rugosus, C. brevimanus, C.
View Article and Find Full Text PDFJ Chem Theory Comput
January 2025
Chemical and Materials Physics Graduate Program, Departments of Molecular Biology and Biochemistry, Chemical and Biomolecular Engineering, Materials Science and Engineering, and Biomedical Engineering, University of California, Irvine, Irvine, California 92697, United States.
Molecular dynamics (MD) simulations are essential for understanding molecular phenomena at the atomic level, with their accuracy largely dependent on both the employed force field and sampling. Polarizable force fields, which incorporate atomic polarization effects, represent a significant advancement in simulation technology. The polarizable Gaussian multipole (pGM) model has been noted for its accurate reproduction of ab initio electrostatic interactions.
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