Master Science

Bárbara Luís Ruivo Pinto

Sillica Derived From Rice Husk for Application in Photoluminescent Materials

Rafael Alexandre Farinha Serrano

Exploring the basis of deep eutectic solvents - a computational spectroscopy study

The modeling of solid-liquid equilibrium in deep eutectic solvents (DES) is often performed assuming theoretical simplifications, such as the compounds’ immiscibility in the solid phase. Unfortunately, this is not true for several systems, with strong implications in their practical applications. This project aims at investigating the solidification behavior of different DES, to understand whether DES behave as simple eutectics or form co-crystals or metastable glasses and to uncover the molecular basis for different solidification behaviors. Information will be gathered from vibrational spectroscopy (infrared, Raman and inelastic neutron spectroscopy) complemented with differential calorimetry scans, X-ray diffraction and photoluminescence spectroscopy. Computational chemistry will support the data analysis, through a synergic and often iterative approach described as “computational spectroscopy”. Tasks include screening eutectic mixtures, studying subsets with distinct behaviors to identify relevant patterns, including both enthalpy and entropy related effects, alongside with relevant discrete and periodic quantum mechanical calculations . The project's outcomes will contribute to understanding DES behavior in specific cases currently under study in the Computational Spectroscopy Group, such as DES applications in pharmaceutical formulations and lignin solubilization in DES-water mixtures.

João Tomás Silva Martins

FTIR spectroscopy for characterization/localization of the biochemical events of osteogenic differentiation of stem cellsFTIR spectroscopy for characterization/localization of the biochemical events of osteogenic differentiation of stem cells.

Strategies involving osteogenic differentiation of mesenchymal stem cells (MSCs) represent promising tools in regenerative medicine, both through the promotion of in situ regeneration and the implantation of newly developed tissue, potentially circumventing clinical implications associated with more conventional therapies. This project aims to characterize the metabolomic and organizational changes of MSC cells from adipose tissue, during their differentiation into bone tissue. To this end, Fourier-transform-infrared (FTIR) vibrational spectroscopy will be used in order to follow the temporal evolution (during 21 days of osteogenic differentiation) of: i) composition of the plasma membrane (lipids, proteins, cholesterol) , changes in their fluidity and formation of extracellular vesicles, ii) characterization of the lipid composition of cytosolic globules and their involvement in energy metabolism, iii) intra- and extracellular mineralization. The predicted results will be extremely important for the optimization of bone tissue in the laboratory, in 2D and 3D cultures. The characteristics of the sample (cell cultures) require the complementary use of macroscopic and microscopic spectroscopy techniques. The vibrational microscopy experiments will be carried out in a partner laboratory at the University of Coimbra and, in case of a successful application, at the high-brightness synchrotron source “Diamond Light Source” (Harwell Science & Innovation Campus, Oxfordshire, United Kingdom). This work is integrated into the BetterBone project (2022.04286.PTDC).