New Porphycene Macrocycles for Applications in Two-Photon Absorption: Optimisation and Synthesis

该方案结合了先进的响应理论计算，高效的现代结构可变二苯并卟啉合成，以及非线性激光光谱来探测一类分子的结构和电子参数，这些分子显示出非常有前途的双光子吸收（TPA）行为。与传统的激发技术相比，TPA的使用显示出许多优点，然而，这些技术的应用仍处于起步阶段。我们将模拟、制备和研究一类新的有前途的化合物，通过所谓的光动力疗法来治疗癌症。在这方面，TPA有潜力克服该领域的许多问题，例如利用组织透明窗口。因此，这一建议是及时的，因为它汇集了研究这类新化合物所需的三个研究方向。具有最佳TPA性能的芳香族大环内的化合物将通过计算发现，然后通过灵活的聚合合成路线制备。因此，该提案将汇集一个多学科团队来研究这一重要课题。

This proposal combines advanced state-of-the-art response theoretical computation with efficient, modern synthesis of structurally variable dibenzoporphycenes, and non-linear laser spectroscopy to probe structural and electronic parameters in a class of molecules that show very promising two-photon absorption (TPA) behaviour. The use of TPA shows many advantages over conventional excitation techniques, however, applications of these techniques are still in their infancy. We will model, prepare and study a new class of promising compounds for potential use in the treatment of cancer via what is known as photodynamic therapy. Here, TPA has the potential overcome many issues in this field, for example exploiting the tissue transparency window. This proposal is thus timely as it brings together the three strands of research required to investigate this new class of compounds. Compounds within this promising subset of aromatic macrocycles with optimal TPA properties will be discovered computationally and then prepared by flexible, convergent synthetic routes. This proposal will thus bring together a multi-disciplinary team to study this important topic.