H2020Индивидуална стипендия2018–2019

TWOSENS · Towards Highly-Efficient Two-Photon Absorbing Sensitizers within a Confined Chromophore Space: From Computer-Aided Design to New Concepts and Applications

„Хоризонт 2020“ — Действия „Мария Склодовска-Кюри“

Период: 2018-01-01 → 2019-12-31
Финансиране от ЕС: 153 382 €
Участници: 1
Схема: MSCA-IF-EF-ST

Линиите свързват координатора с партньорите.

Накратко на български

Молекули с висока способност за двуфотонно абсорбиране се разработват за приложения като 3D биовизуализация и терапия при рак. Те позволяват по-дълбоко проникване на светлината в тъканите и по-висока точност, като намаляват вредните дози лъчение върху биологичните структури.

Този кратък обзор е генериран от изкуствен интелект

Кратко обяснение, генерирано от езиков модел по текста на CORDIS. Оригиналът е по-долу.

Резултати накратко

Towards Highly-Efficient Two-Photon Absorbing Sensitizers within a Confined Chromophore Space:From Computer-Aided Design to New Concepts and Applications

Materials exhibiting large two-photon absorption (TPA) are highly required to fully exploit the potential of modern laser technologies in microfabrication, high-capacity data storage as well as in biomedical applications, such as photodynamic cancer therapy and high-resolution 3D bioimaging. All these techniques take advantage of the TPA process, which refers to a simultaneous absorption of two photons of half the nominal excitation energy by a single molecule. This allows for (a) the excitation of molecules by low-energy near-IR light in the so-called biological transparency window (650-1000 nm), beneficial in a deeper tissue/material penetration and reduced photodamage as compared to one-photon absorption in the UV region, and (b) more control and higher spatial resolution via quadratic dependence of the TPA rate on the intensity of the incident laser beam. However, most of sensitizers currently used in clinic or technological applications is poorly compatible with two-photon excitation due to their low TPA cross-sections (often much smaller than 100 GM), that requires very high light doses and may lead to undesired damages of essential biological structures or material. Most design strategies to enhance TPA cross-sections rely on construction of extremely large π-conjugated molecules or aggregates, which are not appreciated in practice due to difficulties connected with their expensive synthesis, limited solubility in polar media and/or low cell permeability. All these drawbacks hamper the use of large π-conjugated dyes in real applications and more sophisticated and smaller systems featuring a high photochemical stability along with their efficient, eco-friendly and low-cost synthesis, are thus needed. The primary aim of this action was to provide material chemists with useful structure-property relationships and rational design (computed-aided screening) of novel heteroaromatic-based sensitizers displaying very high TPA cross-sections (> 1000 GM) within a confined chromophore space, with a particular focus on thiazole-annulated heteroaromatics due to their excellent photochemical and thermal stabilities and possibility of their further ease functionalization. In addition, we also aimed at optimizing synthetic pathways, reaction conditions, catalysts and transformations of specific functional groups leading to valuable building blocks, which were applied in the synthesis of target TPA dyes.

Текст от CORDIS, на английски · Данни: CORDIS, © Европейски съюз

Цел на проекта

Materials exhibiting large two-photon absorption (TPA) are in great demand to meet the needs of emerging laser technologies and applications in medicine and biomedical engineering (bioimaging, photodynamic therapy, microfabrication). Most design strategies to enhance TPA activity rely on construction of extremely large pi-conjugated molecules, which are not appreciated in practice due to difficulties connected with their synthesis or low cell permeability. The fellow recently demonstrated that significant TPA enhancement can be achieved by small perturbations in the heteroaromatic unit, but these effects are often hardly predictable or chemically counter-intuitive.The objective of this action is to provide material chemists with general guidelines for construction of heteroaromatic-based sensitizers and their metal complexes displaying very high TPA within a confined chromophore space. This will allow to avoid trial-and-error experimentation done so far. A systematic computational study of TPA cross-sections using state-of-the-art quantum-chemical methods for a large set of different heteroarene platforms and substitution patterns will furnish essential structure-property relationships and their understanding based on extensive analysis will bring new knowledge for boosting the TPA efficiency. The most promising candidates will be synthesized and their efficiency will be demonstrated in real applications.The HI and International Laser Center offer excellent multidisciplinary research environment and enable the fellow an access to their unique expertise in highly accurate electronic structure methods and instrumentation. In return, the fellow will bring his unique combined experience in computer simulations and synthesis of nonlinear optical materials as well as new collaborators from Germany, Switzerland, Belgium and Greece. The project boosts the fellow’s research skills in materials chemistry and enables him to start his independent research career in Slovakia.

Оригинален текст от CORDIS (на английски).

Участници

UNIVERZITA KOMENSKEHO V BRATISLAVE · BRATISLAVA 1КоординаторСловакия