Towards the understanding of halogenation in peptide hydrogels: a quantum chemical approach
Tom Bettens, Valentin Lacanau, Ruben Van Lommel, Tess De Maeseneer, Wouter Vandeplassche, Jolien Bertouille, Joost Brancart, Thomas Barlow, Tatiana Woller, Niko Van den Brande, Paula Moldenaers, Frank De Proft, Annemieke Madder, Richard Hoogenboom, Charlotte Martin, Steven Ballet, Mercedes Alonso
Abstract
Halogenation matters! The stacking between phenylalanine side chains can be tuned by halogen atoms attached to the aromatic ring. Herein, computational data are successfully applied in the design of peptide hydrogels with increased stiffness.
Topics & Concepts
HalogenationPeptideStackingSelf-healing hydrogelsRing (chemistry)HalogenChemistryStiffnessQuantumQuantum chemicalAromaticityCombinatorial chemistryComputational chemistryMaterials sciencePolymer chemistryOrganic chemistryMoleculePhysicsBiochemistryComposite materialAlkylQuantum mechanicsCrystallography and molecular interactionsNeuropeptides and Animal PhysiologySupramolecular Self-Assembly in Materials