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Towards a better understanding and development strategy of supramolecular gels

Boek - Dissertatie

Hydrogels are important materials with applications among others in tissue engineering. The goal of this project is to optimize a class of urea based hydrogelators previously developed in the host group via a combination of organic synthesis and computational analysis. Using organic synthetic methods, a diverse set of analogues of the urea based gelators will be produced. These compounds will serve as the structuring elements to form hydrogels that will be fully characterized (mechanical properties, morphology, inter-/intramolecular interactions). The experimental results will provide a training and validation dataset for the development of a novel predictive model for hydrogel formation. The model will be constructed using input from all atom molecular dynamics simulations of gel formation in different solvents. This data will be complemented with the analysis of interactions in the gel network via Non Covalent Indices. This unique combination of theoretical and wet lab experiments will allow the assembly of a toolbox enabling the prediction of gel formation from the structural properties of the gelators.
Jaar van publicatie:2022
Toegankelijkheid:Open