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Review of theories on ionization in fast ion-atom collisions with prospects for applications to hadron therapy

机译:快速离子-原子碰撞中的电离理论的回顾以及在强子治疗中的应用前景

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This study emphasizes the need for a systematic and in-depth connection between the progress in quantum theory of energetic ion collisions and applications to hadron therapy. Scattering theory for fast ion beams has reached its stage of development where accurate and robustly applicable methodologies can advantageously be exported to applied fields such as space research, fusion energy program, medicine, etc. In particular, distorted wave collision theories at high energies readily provide total, partial and fully differential cross sections for inelastic collisions of ionic projectiles with any target system. By numerous and thorough testings, such theoretical cross sections were found to exhibit excellent agreement with experimental data on atomic targets. Adequate extensions of these methods to molecular targets were also accomplished with computational efforts that are approximately comparable to that for multi-electron atomic targets. This was done by using the standard Slater-type atomic basis functions for any molecular targets, including tissue-equivalent materials (e.g. water) of relevance to hadron therapy. This expertize needs to be brought to medicine through ion transport physics, which most frequently employs the crude Bragg sum rule for obtaining molecular cross sections as linear combination of atomic cross sections. Relativistic distorted wave theories are also available, but not currently in use for modeling the passage of relativistic ions through tissue, as needed in hadron therapy of deep-seated tumors. It is high time for extensive and thorough applications of the well-established distorted wave scattering theories to fast collisions of bare and partially clothed multiple charged ions with water molecule. This type of application would provide the most accurate data bases for various cross sections (on electron capture, excitation, ionization, etc) that can be used as reliable entry data for subsequent Monte Carlo simulations of energy losses of ions during their passage through tissue. In order to gain in overall efficiency, these theoretical cross sections could be precomputed at sufficiently dense multi-variable grids, thus yielding modules for advantageous direct sampling during stochastic simulations. Such a comprehensive strategy could provide both accurate and efficient algorithms that would incorporate the state-of-the-art methodologies from high-energy atomic scattering theory involving ion beams. This is currently missing in the physics part of hadron therapy, since all the major Monte Carlo codes customarily employ atomic cross section data bases that rely almost exclusively upon the Bethe–Bloch formula and some phenomenological expressions with fitting parameters adjusted to the limited sets of experimental data. Crucially, the need is emphasized for the introduction of a still missing Monte Carlo code which could simulate transport of ions together with secondary electrons in tissue. The current main Monte Carlo codes simulate transport of either ions or electrons, but not both simultaneously. However, energetic ions produce a large number of electrons by densely ionizing the traversed tissue and many of them are δ-electrons i.e. capable on their own of ionizing various targets. Due to their light mass and considerable energy, δ-electrons undergo multiple scatterings. Because of this cumulative effect, among all the double strand breaks of DNA molecules of tissue treated by ion therapy, some 70% are produced by δ-electrons. Hence the necessity to simulate transport of δ-electrons produced by primary ion beams. Such types of computations are presently missing from the major ion transport codes. Overall, this work thoroughly analyzes conceptual and computational advances of the leading quantum-mechanical distorted wave theories for energetic ion collisions aimed at applications to medicine. Additionally, the main strategic directions are also indicated to further cross-disciplinary fertilization between medicine and basic research on collision theory of fast heavy ions of relevance to hadron therapy.
机译:这项研究强调了在高能离子碰撞的量子理论进展与强子治疗应用之间需要系统和深入的联系。快速离子束的散射理论已进入发展阶段,在此阶段,可以将准确而可靠的方法学有利地导出到诸如空间研究,聚变能程序,医学等应用领域。特别是,高能畸变波碰撞理论很容易提供离子弹与任何目标系统发生非弹性碰撞的总,部分和完全差分横截面。通过大量而彻底的测试,发现这种理论截面与原子靶的实验数据具有极好的一致性。这些方法对分子靶标的适当扩展也通过与多电子原子靶标大致可比的计算工作来实现。这是通过对任何分子靶标使用标准的Slater型原子基函数来完成的,包括与强子疗法有关的组织等效材料(例如水)。需要通过离子传输物理学将这一专业知识带到医学上,离子传输物理学最常使用粗布拉格求和规则来获得分子截面作为原子截面的线性组合。相对论畸变波理论也可以使用,但是目前还没有用于模拟相对论离子通过组织的通道,这是深部肿瘤的强子疗法所需要的。现在是将成熟的畸变波散射理论广泛,彻底地应用于裸露和部分覆盖的带电离子与水分子快速碰撞的时候了。这种类型的应用程序将为各种横截面(在电子捕获,激发,电离等方面)提供最准确的数据库,这些数据库可用作可靠的输入数据,用于随后的离子通过组织的能量损失的蒙特卡洛模拟。为了提高整体效率,可以在足够密集的多变量网格上预先计算这些理论截面,从而产生用于在随机模拟过程中进行直接采样的模块。这种全面的策略可以提供准确而有效的算法,这些算法将结合涉及离子束的高能原子散射理论的最新技术。强子疗法的物理学部分目前尚无此规定,因为所有主要的蒙特卡洛法典通常都采用原子截面数据库,这些数据库几乎完全依赖于Bethe-Bloch公式和一些现象学表达式,其拟合参数已根据实验的有限集合进行了调整数据。至关重要的是,强调了引入仍然缺少的蒙特卡洛代码的需求,该代码可以模拟离子与二次电子在组织中的传输。当前的主要蒙特卡洛代码模拟离子或电子的传输,但不能同时模拟两者。但是,高能离子通过密集地电离所遍历的组织而产生大量电子,并且它们中的许多是δ电子,即它们自身能够电离各种靶标。由于它们的轻量和大量能量,δ电子会经历多次散射。由于这种累积作用,在通过离子疗法治疗的组织的DNA分子的所有双链断裂中,约有70%是由δ电子产生的。因此,有必要模拟一次离子束产生的δ电子的传输。目前主要的离子迁移代码中缺少此类计算。总的来说,这项工作彻底地分析了用于药物的高能离子碰撞的领先量子力学扭曲波理论的概念和计算进展。此外,主要战略方向也被指出,以进一步促进医学和与强子治疗相关的快速重离子碰撞理论基础研究之间的跨学科受精。

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