硅学估算聚乙二醇涂层对千伏能量束中金属 NPs 辐射敏化的影响。

IF 4.3 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY BMC Chemistry Pub Date : 2024-10-22 DOI:10.1186/s13065-024-01322-z
Elham Mansouri, Saeed Rajabpour, Asghar Mesbahi
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引用次数: 0

摘要

目的:纳米粒子(NPs)作为放射增敏剂是提高放疗效果的一种有前途的策略,但其潜力受到其表面涂层特性的显著影响,而涂层特性会影响治疗效果。大多数蒙特卡洛研究都侧重于金属 NPs,而没有考虑涂层对放射增敏的影响。在本研究中,我们旨在评估纳米粒子涂层在基于纳米粒子的放射治疗中的物理效应和放射生物学效应:在这项模拟研究中,我们使用 Geant4 Monte Carlo (MC) 工具包(v10.07.p02),模拟了铋、金、铱和钆 NPs 涂覆聚乙二醇(PEG-400:密度:1.13 g/cm³,摩尔质量:380-420 g/mol)作为放射增敏剂在 30、60 和 100 keV 光子束中的情况。对二次电子数和活性氧增强因子进行了估算。此外,还测定了从纳米粒子表面到 4 毫米厚度为对数标度的球形外壳中的剂量增强因子(DEF):结果:金、铋和铱纳米粒子的二次电子发射在30千伏时最高,而钆纳米粒子在60千伏时达到峰值。镀膜减少了所有能量下的电子发射,镀膜越厚,减少越明显。DEF值随着与NP表面径向距离的增加而降低,涂层越厚,DEF值越低。对于钆 NPs 来说,由于 K 边能量的影响,DEF 行为有所不同。反应物的生成各不相同,金、铋和铱 NPs 在 30 千伏时生成量最大,而钆 NPs 在 60 千伏时活性达到峰值。PEG 涂层增强了 100 keV 时活性物质的形成:研究结果表明,涂层厚度和材料不仅会影响二次粒子和 DEF 的发射,还会影响水辐射分解中反应物的生成。具体来说,较厚的涂层可减少二次粒子发射和 DEF,而 PEG 涂层则表现出双重特性,根据光子能量的不同,既能起到保护作用,又能起到增强作用。这些见解强调了在未来的研究中优化 NP 设计和涂层的重要性,以最大限度地提高基于纳米粒子的放射治疗的疗效。
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In silico estimation of polyethylene glycol coating effect on metallic NPs radio-sensitization in kilovoltage energy beams

Purpose

Nanoparticles (NPs) as radiosensitizers present a promising strategy for enhancing radiotherapy effectiveness, but their potential is significantly influenced by the properties of their surface coating, which can impact treatment outcomes. Most Monte Carlo studies have focused on metallic NPs without considering the impact of coating layers on radiosensitization. In this study, we aim to assess both the physical and radiobiological effects of nanoparticle coatings in nanoparticle-based radiation therapy.

Materials and methods

In this simulation study, we used Geant4 Monte Carlo (MC) toolkit (v10.07.p02) and simulated the bismuth, gold, iridium and gadolinium NPs coated with polyethylene glycol (PEG-400: Density: 1.13 g/cm³, Molar mass: 380–420 g/mol) as radiosensitizer for photon beams of 30, 60 and 100 keV. Secondary electron number and reactive oxygen species enhancement factor were estimated. Also, dose enhancement factor (DEF) was determined in spherical shells with logarithmic scale thickness from the nanoparticle surface to 4 mm.

Results

Secondary electron emission was highest at 30 keV for gold, bismuth, and iridium NPs, while gadolinium NPs peaked at 60 keV. Coating reduced electron emissions across all energies, with thicker coatings leading to a more significant decrease. DEF values declined with increasing radial distance from the NP surface and were lower with thicker coatings. For gadolinium NPs, DEF behavior differed due to K-edge energy effects. Reactive species generation varied, showing maximum production at 30 keV for gold, bismuth, and iridium NPs, while gadolinium NPs showed peak activity at 60 keV. PEG coatings enhanced reactive species formation at 100 keV.

Conclusion

The findings indicate that the coating layer thickness and material not only influence the emission of secondary particles and DEF but also affect the generation of reactive species from water radiolysis. Specifically, thicker coatings reduce secondary particle emission and DEF, while PEG coatings demonstrate a dual behavior, offering both protective and enhancing effects depending on photon energy. These insights underscore the importance of optimizing NP design and coating in future studies to maximize therapeutic efficacy in nanoparticle-based radiation therapy.

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来源期刊
BMC Chemistry
BMC Chemistry Chemistry-General Chemistry
CiteScore
5.30
自引率
2.20%
发文量
92
审稿时长
27 weeks
期刊介绍: BMC Chemistry, formerly known as Chemistry Central Journal, is now part of the BMC series journals family. Chemistry Central Journal has served the chemistry community as a trusted open access resource for more than 10 years – and we are delighted to announce the next step on its journey. In January 2019 the journal has been renamed BMC Chemistry and now strengthens the BMC series footprint in the physical sciences by publishing quality articles and by pushing the boundaries of open chemistry.
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