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

原子或分子微观细节的知识有助于我们理解重要的宏观物理和化学过程，这些过程是健康，能源和技术等许多领域的基础。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，所选化合物作为放射增敏剂的功效。电子结构，复杂性的增加，它们的准确性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）测量最接近可观察到的电子波函数，并提供了一种方法来执行这样的计算质量的严格评估。在本项目中，EMS将应用于一系列潜在的放射增敏剂。癌症是世界范围内的主要死因，也是人类健康面临的最大挑战。因此，全球科学面临的挑战是开发有效和低成本的癌症治疗方法，并使其广泛使用。DNA是编码生命指令的信息分子。当DNA受到不可修复的损伤时，细胞就会停止正常运作。这在放射治疗中被利用，其中辐射被用于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，约70%的患者接受放射治疗作为其治疗计划的一部分。放射疗法要治愈癌症，必须杀死肿瘤细胞，以及所有可能导致肿瘤再生长的细胞。放射增敏剂是一种化合物，它能选择性地增强辐射对癌细胞的损伤，使治疗剂量的辐射能够到达癌症部位，而对周围健康组织的影响要小得多。因此，发现新的、有效的放射增敏剂是癌症研究的目标。EMS将用于提供电子结构的全面测量，其确定化学结构、性质和反应，可用于选择潜在的新放射增敏剂。

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.