Adsorption of binding peptides on ZnO - towards a quantitative understanding of organic-inorganic interactions
Synthesis and Properties of Functional Materials
Final Report Abstract
This project has delved into the intricate relationship between inorganic surfaces and bio-organic peptides, with a specific focus on the binding mechanisms between peptides and zinc oxide (ZnO). Our combined experimental and theoretical approach has yielded valuable insights and outcomes that have far-reaching implications for both the scientific and technological communities. Peptides binding to metal oxides, such as zinc oxide, can be harnessed for a wide range of applications, which include functionalizing inorganic surfaces, ensuring biocompatibility for implants, facilitating the bioinspired synthesis of materials, and serving as mediators for biocomponents on surfaces. A deep understanding of the specific and general binding mechanisms is critical for the purposeful design of peptides for these applications. We selected peptides that demonstrate a binding affinity for single-crystalline non-polar (10- 10)ZnO surfaces using phage display. The research extended beyond mere peptide identification, focusing on investigating the specificity and selectivity of these binding peptides. We compared the behavior of these peptides with their counterparts on related and distinct surfaces. This comparative analysis allowed us to discern subtle differences and commonalities in the binding patterns. In order to facilitate the integration of our findings within the broader scientific context, we conducted a comprehensive theoretical and experimental characterization of the binding peptides and mechanisms. Sophisticated modeling of solvent-induced peptide conformations and substrate surface properties were performed and verified through experimental techniques. We employed a manifold of theoretical, optical, spectroscopic, and biological methods to elucidate the molecular-level interactions between peptides and ZnO. It is noteworthy that the experimental data and simulation data exhibited remarkable agreement, enabling a profound understanding of the binding mechanisms. Our evaluation of binding peptides is both qualitative and quantitative, providing a solid foundation for future research and applications. These findings have opened the door to a more rationalized understanding of peptide-inorganic interactions, and they offer promising prospects for commercialization opportunities. The successful completion of this project marks a significant step towards harnessing these interactions for scientific and practical purposes.
Publications
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Binding affinities and adhesion phenomena of binding peptides at the interface to zinc oxide, PhD Dissertation, University of Bremen, November 2018.
M. Michaelis
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Impact of the Conformational Variability of Oligopeptides on the Computational Prediction of Their CD Spectra. The Journal of Physical Chemistry B, 123(31), 6694-6704.
Michaelis, M.; Hildebrand, N.; Meißner, R. H.; Wurzler, N.; Li, Z.; Hirst, J. D.; Micsonai, A.; Kardos, J.; Delle, Piane M. & Colombi, Ciacchi L.
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Platform for Screening Abiotic/Biotic Interactions Using Indicator Displacement Assays. Langmuir, 35(44), 14230-14237.
Michaelis, Monika; Fayyaz, Aneeqa; Parambath, Mithun; Koeppen, Susan; Ciacchi, Lucio Colombi; Hanley, Quentin S. & Perry, Carole C.
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Lessons from a Challenging System: Accurate Adsorption Free Energies at the Amino Acid/ZnO Interface. Journal of Chemical Theory and Computation, 17(7), 4420-4434.
Michaelis, Monika; Delle, Piane Massimo; Rothenstein, Dirk; Perry, Carole C. & Colombi, Ciacchi Lucio
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Identification of the First Sulfobetaine Hydrogel‐Binding Peptides via Phage Display Assay. Macromolecular Rapid Communications, 44(16).
Ihlenburg, Ramona B. J.; Petracek, David; Schrank, Paul; Davari, Mehdi D.; Taubert, Andreas & Rothenstein, Dirk
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Tidying up the conformational ensemble of a disordered peptide by computational prediction of spectroscopic fingerprints. Chemical Science, 14(32), 8483-8496.
Michaelis, Monika; Cupellini, Lorenzo; Mensch, Carl; Perry, Carole C.; Delle, Piane Massimo & Colombi, Ciacchi Lucio
