Project: Controlling encapsulation and release by charge regulation in macromolecules
Research group: Soft Matter
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Deadline is closed
Controlling encapsulation and release by charge regulation in macromolecules
Contact person and project supervisor: Dr. Peter Košovan, peter.kosovan@natur.cuni.cz
Research group: Soft Matter http://www.physchem.cz/research/soft-matter/
Department: Physical and Macromolecular Chemistry www.physchem.cz
Area of research:
The Soft Matter group combines a variety of experimental methods and simulations/theory to investigate self-assembling polymer systems, such as polyelectrolyte solutions, micelles, interpolyelectrolyte complexes or polymer gels. We focus on fundamental understanding of thermodynamic and kinetic aspects of the behaviour of these systems.
Project summary:
Electrostatic interactions between charges on polyelectrolytes, peptides and proteins strongly affect ionization of weak acid and weak base groups that are present in these molecules, that is known as charge regulation [1]. Our aim is to understand these interactions from molecular simulations and experiments. That should allow us to tune the interactions between short oligo-ampholytes and polyelectrolytes at a specific pH by choosing a suitable sequence of weak acid and base groups. A change in pH can then be used to trigger encapsulation or release of these molecules.
This PhD project entails coarse-grained simulations of pH-responsive (weak) polyelectrolytes and short oligopeptides. The simulations predict the ionization degree and the total charge on the molecules at various pH, and their interaction with polyelectrolytes. Analogous systems are investigated experimentally within the Soft Matter group. The main job of the student will be to perform the simulations, analyze the data, to refine the models and to implement new simulation algorithms or new simulation protocols. Optionally, the job may also include experimental investigation of these systems.
[1] J. Landsgesell, L. Nová, O. Rud, F. Uhlík, D. Sean, a Pascal Hebbeker, C. Holm, P. Košovan: Simulations of ionization equilibria in weak polyelectrolyte solutions and gels, Soft Matter (2019) DOI: 10.1039/c8sm02085j
Features of an ideal candidate:
Required: MSc. or equivalent in Chemistry, Physics or a related field. Good knowledge of English.
Beneficial: Background in Physical Chemistry, Soft Matter or Polymer Science. Experience with molecular simulations, programming and Linux.
Our Offer:
Competent and interdisciplinary work environment, where theoretical and experimental research is conducted hand-in-hand.
Work in an international group in the beautiful city of Prague.
Participation at international conferences and workshops.
Collaborations and further scientific training through international partners.
Funding from the Czech Science Foundation grant 19-10429S “Controlling encapsulation and release by charge regulation and multivalent interactions with supramolecular polymer carriers.” allows to increase the salary above the guaranteed minimum of 20500CZK.
Deadline is closed