Prof. Dr. Joachim Dzubiella

Prof. Dzubiella erforscht die Struktur und Dynamik weicher Materie — insbesondere Kolloide, responsive Polymere und Hydrogele — mittels theoretischer Modellierung und Computersimulation. Sein aktueller Fokus liegt auf Nichtgleichgewichtsprozessen: Wie verhalten sich diese Systeme unter äußeren Kräften, chemischen Signalen oder Druck? Seine Arbeiten adressieren konkrete Anwendungen wie Lithium-Schwefel-Batterien (Optimierung von Kation-π-Wechselwirkungen in Polymerkathoden), mikrofluidische Systeme (elastische Kanäle für verbesserten Fluidfluss) und adaptive Materialien (stimuli-responsive Elastizität). Die Methoden — Brownian-Dynamics-Simulationen, Dichtefunktionaltheorie, Molekulardynamik — ermöglichen es, molekulare Reibung und Energielandschaften unter Nichtgleichgewicht vorherzusagen und damit Transportprozesse in komplexen Medien wie Hydrogelen oder Ionenkanälen gezielt zu steuern.

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• SFB 951/1: HIOS - Exploring molecular-scale structure formation of HIOS by all-atom molecular dynamics computer simulations (TP A1)

  Quelle ↗
  409-01 · Theoretische Informatik

  Förderer: DFG Sonderforschungsbereich Zeitraum: 07/2011 - 06/2015 Projektleitung: Prof. Dr. Joachim Dzubiella

• NW: Stabilitaet halophiler Proteine II

  Quelle ↗

  Förderer: DFG Nachwuchsgruppe Zeitraum: 10/2011 - 07/2013 Projektleitung: Prof. Dr. Joachim Dzubiella

• Stabilität halophiler Proteine: Wettbewerb zwischen Hydrophober und elektrostatischer Solvation

  Quelle ↗

  Förderer: DFG Nachwuchsgruppe Zeitraum: 10/2011 - 07/2013 Projektleitung: Prof. Dr. Joachim Dzubiella

• Catalysis by metallic nanoparticles in aqueous solution: model reactions

  2012

  Chemical Society Reviews · DOI

  Catalysis by metallic nanoparticles is certainly among the most intensely studied problems in modern nanoscience. However, reliable tests for catalytic performance of such nanoparticles are often poorly defined, which makes comparison and benchmarking rather difficult. We tackle in this tutorial review a subset of well-studied reactions that take place in aqueous phase and for which a comprehensive kinetic analysis is available. Two of these catalytic model reactions are under consideration here, namely the reduction of (i) p-nitrophenol and (ii) hexacyanoferrate (iii), both by borohydride ions. Both reactions take place at the surface of noble metal nanoparticles at room temperature and can be accurately monitored by UV-vis spectroscopy. Moreover, the total surface area of the nanoparticles in solution can be known with high precision and thus can be directly used for the kinetic analysis. Hence, these model reactions represent cases of heterogeneous catalysis that can be modelled with the accuracy typically available for homogeneous catalysis. Both model reactions allow us to discuss a number of important concepts and questions, namely the dependence of catalytic activity on the size of the nanoparticles, electrochemistry of nanoparticles, surface restructuring, the use of carrier systems and the role of diffusion control.

• Protein Interactions with Polymer Coatings and Biomaterials

  2014

  Angewandte Chemie International Edition · DOI

  Protein adsorption is considered to be the most important factor of the interaction between polymeric biomaterials and body fluids or tissues. Water-mediated hydrophobic and hydration forces as well as electrostatic interactions are believed to be the major factors of protein adsorption. A systematic analysis of various monolayer systems has resulted in general guidelines, the so-called "Whitesides rules". These concepts have been successfully applied for designing various protein-resistant surfaces and are being studied to expand the understanding of protein-material interactions beyond existing limitations. Theories on the mechanisms of protein adsorption are constantly being improved due to the fast-developing analytical technologies. This Review is aimed at improving these empirical guidelines with regard to present theoretical and analytical advances. Current analytical methods to test mechanistic hypotheses and theories of protein-surface interactions will be discussed. Special focus will be given to state-of-the-art bioinert and biospecific coatings and their applications in biomedicine.