Electron momentum spectroscopy of radiosensitizers New benchmark data for assessing the theoretical models

放射增敏剂的电子动量谱 用于评估理论模型的新基准数据

• 批准号: EP/Y022297/1
• 负责人: Kate Nixon
• 金额: $ 53.93万
• 依托单位: The Open University
• 依托单位国家: 英国
• 项目类别: Research Grant
• 财政年份: 2024
• 资助国家: 英国
• 起止时间: 2024 至 无数据
• 项目状态: 未结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FY022297%2F1
• 关键词: Electron; momentum; spectroscopy; radiosensitizers; New

Knowledge of the microscopic details of atoms or molecules contributes to our understanding of important macroscopic physical and chemical processes that underpin many areas such as health, energy and technology. Such knowledge can be derived from the development of new models to predict the behaviour of interest, in this case the efficacy of chosen compounds as radiosensitizers.As quantum theories used to calculate the microscopic details, i.e., the electronic structure, increase in sophistication their accuracy needs to be evaluated against the most comprehensive experimental data available. This ensures that when the models are extended to applications of technological and societal significance their predications are reliable. Electron momentum spectroscopy (EMS) measures the closest observable to the electronic wavefunction and provides a means to perform a stringent evaluation of the quality of such calculations. In this project EMS will be applied to a suite of potential radiosensitizers.Cancer is leading cause of death worldwide and as such is the greatest challenge to human health. A global scientific challenge is therefore to develop effective and low-cost cancer treatments with widespread access.DNA is the informational molecule that encodes the instructions for life. When DNA is irreparably damaged the cell stops functioning correctly. This is exploited in radiotherapy treatments where radiation is used to intentionally damage cancerous cells to cause cell death. Radiotherapy is an effective and cost-efficient cancer treatment with approximately 70% of patients receiving radiotherapy as part of their treatment plan. For radiotherapy to cure a cancer, it must kill the tumour cells, and all cells that could lead to the regrowth of the tumour. However, this amount of radiation would result in extensive damage to the surrounding healthy tissue.Radiosensitizers are compounds that selectively enhance the radiation-induced damage to cancer cells, allowing curative doses of radiation to be delivered to the cancer site, while having much less effect on the surrounding healthy tissue. Therefore, the discovery of new, efficient radiosensitizers a goal of cancer research.EMS will be used to provide a comprehensive measurement of the electronic structure, which determines chemical structure, properties and reactions that can be used to select potential new radiosensitizers.

了解原子或分子的微观细节有助于我们理解支撑健康、能源和技术等许多领域的重要宏观物理和化学过程。这些知识可以从新模型的开发中获得，以预测感兴趣的行为，在这种情况下是所选化合物作为放射增敏剂的功效。随着量子理论用于计算微观细节，即电子结构，其准确性的复杂性提高需要根据现有的最全面的实验数据进行评估。这确保了当模型扩展到具有技术和社会意义的应用时，它们的预测是可靠的。电子动量谱 (EMS) 测量最接近的电子波函数，并提供了一种对此类计算的质量进行严格评估的方法。在该项目中，EMS 将应用于一系列潜在的放射增敏剂。癌症是全世界死亡的主要原因，因此也是对人类健康的最大挑战。因此，全球科学挑战是开发有效且低成本且可广泛使用的癌症治疗方法。DNA 是编码生命指令的信息分子。当 DNA 受到不可挽回的损害时，细胞就会停止正常运作。这在放射治疗中被利用，放射线被用来故意破坏癌细胞以导致细胞死亡。放射治疗是一种有效且具有成本效益的癌症治疗方法，大约 70% 的患者接受放射治疗作为其治疗计划的一部分。为了治愈癌症，放射疗法必须杀死肿瘤细胞以及所有可能导致肿瘤再生的细胞。然而，如此大量的辐射会对周围的健康组织造成广泛的损伤。放射增敏剂是一种化合物，可以选择性地增强辐射对癌细胞造成的损伤，允许将治疗剂量的辐射传递到癌症部位，同时效果要小得多影响周围的健康组织。因此，发现新型、高效的放射增敏剂成为癌症研究的目标。EMS将用于提供电子结构的全面测量，从而确定化学结构、性质和反应，从而可用于选择潜在的新型放射增敏剂。