Regensburg 2019 – scientific programme
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 10: Crystallization, Nucleation and Self-assembly I
CPP 10.8: Talk
Monday, April 1, 2019, 17:00–17:15, H13
Steric and Hydrophobic Interactions Determine Self-assembly of Supramolecular Nanorods — •Saikat Chakraborty1, Christian Berac2, Pol Besenius2, and Thomas Speck1 — 1Institut für Physik, Johannes Gutenberg-Universität Mainz, Staudingerweg 7-9, 55128 Mainz, Germany. — 2Institut für Organische Chemie, Johannes Gutenberg-Universität Mainz, Duesbergweg 10-14, 55128 Mainz, Germany.
C3-symmetric amphiphilic peptides have been successfully applied for the construction of supramolecular aggregates of defined size and shape. These compounds typically contain a hydrophobic core and three amphiphilic arms. In water, due to combined effects of hydrphobic interactions, hydrogen bonding and shielding effects of flexible hydrophilic chains, the monomers stack over one another to form one-dimensional nanorods. We present a minimal model for efficient simulations of such unidirectional self-assembly without the requirement of an explicit solvent. Composites of the monomers interact among themselves via simple pair potentials to invoke hydrophobic and steric effects. We show that these factors are sufficient to obtain self-assembly of the monomers into elongated, defect-free, rod-like structures from highly dilute, disordered initial state. This assembly kinetics have been linked to the microscopic processes governing the polymerization. The understanding thus obtained, has been used to draw comparison with the experiments. Further, study of the morphology of the nanorods reveals that beyond a threshold value of hydrophobic interactions among these achiral building blocks, there is a transition to helical structure.