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Monte Carlo simulation of gold nanoparticles for X-ray enhancement application

Dheyab MA, Aziz AA, Rahman AA, Ashour NI, Musa AS, Braim FS, et al.

Biochim Biophys Acta Gen Subj, 2023 Apr;1867(4):130318.
PMID: 36740000 DOI: 10.1016/j.bbagen.2023.130318

BACKGROUND: Gold nanoparticles (Au NPs) are regarded as potential agents that enhance the radiosensitivity of tumor cells for theranostic applications. To elucidate the biological mechanisms of radiation dose enhancement effects of Au NPs as well as DNA damage attributable to the inclusion of Au NPs, Monte Carlo (MC) simulations have been deployed in a number of studies.
SCOPE OF REVIEW: This review paper concisely collates and reviews the information reported in the simulation research in terms of MC simulation of radiosensitization and dose enhancement effects caused by the inclusion of Au NPs in tumor cells, simulation mechanisms, benefits and limitations.
MAJOR CONCLUSIONS: In this review, we first explore the recent advances in MC simulation on Au NPs radiosensitization. The MC methods, physical dose enhancement and enhanced chemical and biological effects is discussed, followed by some results regarding the prediction of dose enhancement. We then review Multi-scale MC simulations of Au NP-induced DNA damages for X-ray irradiation. Moreover, we explain and look at Multi-scale MC simulations of Au NP-induced DNA damages for X-ray irradiation.
GENERAL SIGNIFICANCE: Using advanced chemical module-implemented MC simulations, there is a need to assess the radiation-induced chemical radicals that contribute to the dose-enhancing and biological effects of multiple Au NPs.
Fulltext Optimization of ultrasonic-assisted approach for synthesizing a highly stable biocompatible bismuth-coated iron oxide nanoparticles using a face-centered central composite design

Braim FS, Razak NNANA, Aziz AA, Dheyab MA, Ismael LQ

Ultrason Sonochem, 2023 Mar 15;95:106371.
PMID: 36934677 DOI: 10.1016/j.ultsonch.2023.106371

The incorporation of additional functional groups such as bismuth nanoparticles (Bi NPs) into magnetite nanoparticles (Fe3O4 NPs) is critical for their properties modification, stabilization, and multi-functionalization in biomedical applications. In this work, ultrasound has rapidly modified iron oxide (Fe3O4) NPs via incorporating their surface through coating with Bi NPs, creating unique Fe3O4@Bi composite NPs. The Fe3O4@Bi nanocomposites were synthesized and statistically optimized using an ultrasonic probe and response surface methodology (RSM). A face-centered central composite design (FCCD) investigated the effect of preparation settings on the stability, size, and size distribution of the nanocomposite. Based on the numerical desirability function, the optimized preparation parameters that influenced the responses were determined to be 40 ml, 5 ml, and 12 min for Bi concentration, sodium borohydride (SBH) concentration, and sonication time, respectively. It was found that the sonication time was the most influential factor in determining the responses. The predicted values for the zeta potential, hydrodynamic size, and polydispersity index (PDI) at the highest desirability solution (100%) were -45 mV, 122 nm, and 0.257, while their experimental values at the optimal preparation conditions were -47.1 mV, 125 nm, and 0.281, respectively. Dynamic light scattering (DLS) result shows that the ultrasound efficiently stabilized and functionalized Fe3O4NPs following modification to Fe3O4@Bi NPs, improved the zeta potential value from -33.5 to -47.1 mV, but increased the hydrodynamic size from 98 to 125 nm. Energy dispersive spectroscopy (EDX) validated the elemental compositions and Fourier transform infrared spectroscopy (FTIR) confirmed the presence of Sumac (Rhus coriaria) compounds in the composition of the nanocomposites. The stability and biocompatibility of Fe3O4@Bi NPs were improved by using the extract solution of the Sumacedible plant. Other physicochemical results revealed that Fe3O4NPs and Fe3O4@Bi NPs were crystalline, semi-spherical, and monodisperse with average particle sizes of 11.7 nm and 19.5 nm, while their saturation magnetization (Ms) values were found to be 132.33 emu/g and 92.192 emu/g, respectively. In vitro cytotoxicity of Fe3O4@Bi NPs on the HEK-293 cells was dose- and time-dependent. Based on our findings, the sonochemical approach efficiently produced (and RSM accurately optimized) an extremely stable, homogeneous, and biocompatible Fe3O4@Bi NPs with multifunctional potential for various biomedical applications.
Gold nanoparticles-based photothermal therapy for breast cancer

Dheyab MA, Aziz AA, Khaniabadi PM, Jameel MS, Oladzadabbasabadi N, Rahman AA, et al.

Photodiagnosis Photodyn Ther, 2023 Jun;42:103312.
PMID: 36731732 DOI: 10.1016/j.pdpdt.2023.103312

AuNPs-mediated photothermal therapy (PTT) is gaining popularity in both laboratory research and medical applications. It has proven clear advantages in breast cancer therapy over conventional thermal ablation because of its easily-tuned features of irradiation light with inside hyperthermia ability. Notwithstanding this significant progress, the therapeutic potential of AuNPs-mediated PTT in cancer treatments is still impeded by several challenges, including inherent non-specificity, low photothermal conversion effectiveness, and the limitation of excitation light tissue penetration. Given the rapid progress of AuNPs-mediated PTT, we present a comprehensive overview of significant breakthroughs in the recent advancements of AuNPs for PTT, focusing on breast cancer cells. With the improvement of chemical synthesis technology, AuNPs of various sizes and shapes with desired properties can be synthesized, allowing breast cancer targeting and treatment. In this study, we summarized the different sizes and features of four major types of AuNPs in this review: Au nanospheres, Au nanocages, Au nanoshells, and Au nanorods, and explored their benefits and drawbacks in PTT. We also discussed the diagnostic, bioconjugation, targeting, and cellular uptake of AuNPs, which could improve the performance of AuNP-based PTT. Besides that, potential challenges and future developments of AuNP-mediated PTT for clinical applications are discussed. AuNP-mediated PTT is expected to become a highly promising avenue in cancer treatment in the near future.

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