Multiscale modelling of stimuli-responsive nanoreactors

Informazioni relative al progetto

NANOREACTOR

ID dell’accordo di sovvenzione: 646659

DOI 10.3030/646659

Progetto chiuso

Data della firma CE 14 Aprile 2015

Data di avvio 1 Agosto 2015

Data di completamento 31 Luglio 2020

Finanziato da

• EXCELLENT SCIENCE - European Research Council (ERC)

Costo totale € 1 987 500,00

Contributo UE € 1 987 500,00

Coordinato da

ALBERT-LUDWIGS-UNIVERSITAET FREIBURG
Germany

Pubblicazioni

Non-peer reviewed articles (1)

How the shape and chemistry of molecular penetrants control the permeability of responsive hydrogels

Autori: Matej Kanduc, Won Kyu Kim, Rafael Roa, and Joachim Dzubiella
Pubblicato in: ACS Nano, 2020, ISSN 1936-0851
Editore: American Chemical Society

Peer reviewed articles (35)

Controlling the Microstructure and Phase Behavior of Confined Soft Colloids by Active Interaction Switching

Autori: Arturo Moncho-Jordá, Joachim Dzubiella
Pubblicato in: Physical Review Letters, Numero 125/7, 2020, Pagina/e 078001, ISSN 0031-9007
Editore: American Physical Society
DOI: 10.1103/physrevlett.125.078001

Coverage fluctuations and correlations in nanoparticle-catalyzed diffusion-influenced bimolecular reactions

Autori: Yi-Chen Lin, Won Kyu Kim, and Joachim Dzubiella
Pubblicato in: J. Phys. Chem. C, 2020, ISSN 1932-7447
Editore: American Chemical Society

Competitive sorption of monovalent and divalent ions by highly charged globular macromolecules

Autori: Rohit Nikam, Xiao Xu, Matej Kanduč, Joachim Dzubiella
Pubblicato in: The Journal of Chemical Physics, Numero 153/4, 2020, Pagina/e 044904, ISSN 0021-9606
Editore: American Institute of Physics
DOI: 10.1063/5.0018306

Tuning the selective permeability of polydisperse polymer networks

Autori: Won Kyu Kim, Richard Chudoba, Sebastian Milster, Rafael Roa, Matej Kanduč, Joachim Dzubiella
Pubblicato in: Soft Matter, Numero 16/35, 2020, Pagina/e 8144-8154, ISSN 1744-683X
Editore: Royal Society of Chemistry
DOI: 10.1039/d0sm01083a

Catalyzed Bimolecular Reactions in Responsive Nanoreactors

Autori: Rafael Roa, Won Kyu Kim, Matej Kanduč, Joachim Dzubiella, Stefano Angioletti-Uberti
Pubblicato in: ACS Catalysis, Numero 7/9, 2017, Pagina/e 5604-5611, ISSN 2155-5435
Editore: American Chemical Society
DOI: 10.1021/acscatal.7b01701

Cosolute Partitioning in Polymer Networks: Effects of Flexibility and Volume Transitions

Autori: Won Kyu Kim, Arturo Moncho-Jordá, Rafael Roa, Matej Kanduč, Joachim Dzubiella
Pubblicato in: Macromolecules, Numero 50/16, 2017, Pagina/e 6227-6237, ISSN 0024-9297
Editore: American Chemical Society
DOI: 10.1021/acs.macromol.7b01206

Product interactions and feedback in diffusion-controlled reactions

Autori: Rafael Roa, Toni Siegl, Won Kyu Kim, Joachim Dzubiella
Pubblicato in: The Journal of Chemical Physics, Numero 148/6, 2018, Pagina/e 064705, ISSN 0021-9606
Editore: American Institute of Physics
DOI: 10.1063/1.5016608

Catalysis by Metallic Nanoparticles in Solution: Thermosensitive Microgels as Nanoreactors

Autori: Rafael Roa, Stefano Angioletti-Uberti, Yan Lu, Joachim Dzubiella, Francesco Piazza, Matthias Ballauff
Pubblicato in: Zeitschrift für Physikalische Chemie, Numero 0/0, 2018, ISSN 0942-9352
Editore: Oldenbourg Wissenschaftsverlag GmbH
DOI: 10.1515/zpch-2017-1078

Communication: Resonance reaction in diffusion-influenced bimolecular reactions

Autori: Jakob J. Kolb, Stefano Angioletti-Uberti, Joachim Dzubiella
Pubblicato in: The Journal of Chemical Physics, Numero 144/8, 2016, Pagina/e 081102, ISSN 0021-9606
Editore: American Institute of Physics
DOI: 10.1063/1.4942998

Swelling of ionic microgel particles in the presence of excluded-volume interactions: a density functional approach

Autori: Arturo Moncho-Jordá, Joachim Dzubiella
Pubblicato in: Phys. Chem. Chem. Phys., Numero 18/7, 2016, Pagina/e 5372-5385, ISSN 1463-9076
Editore: Royal Society of Chemistry
DOI: 10.1039/C5CP07794J

Theory of Solvation-Controlled Reactions in Stimuli-Responsive Nanoreactors

Autori: Stefano Angioletti-Uberti, Yan Lu, Matthias Ballauff, Joachim Dzubiella
Pubblicato in: The Journal of Physical Chemistry C, Numero 119/27, 2015, Pagina/e 15723-15730, ISSN 1932-7447
Editore: American Chemical Society
DOI: 10.1021/acs.jpcc.5b03830

Thermosensitive Cu 2 O–PNIPAM core–shell nanoreactors with tunable photocatalytic activity

Autori: He Jia, Rafael Roa, Stefano Angioletti-Uberti, Katja Henzler, Andreas Ott, Xianzhong Lin, Jannik Möser, Zdravko Kochovski, Alexander Schnegg, Joachim Dzubiella, Matthias Ballauff, Yan Lu
Pubblicato in: J. Mater. Chem. A, Numero 4/24, 2016, Pagina/e 9677-9684, ISSN 2050-7488
Editore: Royal Society of Chemistry
DOI: 10.1039/C6TA03528K

Guanidinium can both Cause and Prevent the Hydrophobic Collapse of Biomacromolecules

Autori: Jan Heyda, Halil I. Okur, Jana Hladílková, Kelvin B. Rembert, William Hunn, Tinglu Yang, Joachim Dzubiella, Pavel Jungwirth, Paul S. Cremer
Pubblicato in: Journal of the American Chemical Society, Numero 139/2, 2017, Pagina/e 863-870, ISSN 0002-7863
Editore: American Chemical Society
DOI: 10.1021/jacs.6b11082

Tuning the critical solution temperature of polymers by copolymerization

Autori: Bernhard Schulz, Richard Chudoba, Jan Heyda, Joachim Dzubiella
Pubblicato in: The Journal of Chemical Physics, Numero 143/24, 2015, Pagina/e 243119, ISSN 0021-9606
Editore: American Institute of Physics
DOI: 10.1063/1.4934017

Reaction rate of a composite core–shell nanoreactor with multiple nanocatalysts

Autori: Marta Galanti, Duccio Fanelli, Stefano Angioletti-Uberti, Matthias Ballauff, Joachim Dzubiella, Francesco Piazza
Pubblicato in: Phys. Chem. Chem. Phys., Numero 18/30, 2016, Pagina/e 20758-20767, ISSN 1463-9076
Editore: Royal Society of Chemistry
DOI: 10.1039/C6CP01179A

Selective solute adsorption and partitioning around single PNIPAM chains

Autori: Matej Kanduč, Richard Chudoba, Karol Palczynski, Won Kyu Kim, Rafael Roa, Joachim Dzubiella
Pubblicato in: Phys. Chem. Chem. Phys., Numero 19/8, 2017, Pagina/e 5906-5916, ISSN 1463-9076
Editore: Royal Society of Chemistry
DOI: 10.1039/C6CP08366H

Potential of mean force and transient states in polyelectrolyte pair complexation

Autori: Xiao Xu, Matej Kanduč, Jianzhong Wu, Joachim Dzubiella
Pubblicato in: The Journal of Chemical Physics, Numero 145/3, 2016, Pagina/e 034901, ISSN 0021-9606
Editore: American Institute of Physics
DOI: 10.1063/1.4958675

Chasing Aqueous Biphasic Systems from Simple Salts by Exploring the LiTFSI/LiCl/H 2 O Phase Diagram

Autori: Nicolas Dubouis, Chanbum Park, Michaël Deschamps, Soufiane Abdelghani-Idrissi, Matej Kanduč, Annie Colin, Mathieu Salanne, Joachim Dzubiella, Alexis Grimaud, Benjamin Rotenberg
Pubblicato in: ACS Central Science, Numero 5/4, 2019, Pagina/e 640-643, ISSN 2374-7943
Editore: ACS
DOI: 10.1021/acscentsci.8b00955

Interaction of Charged Patchy Protein Models with Like-Charged Polyelectrolyte Brushes

Autori: Cemil Yigit, Matej Kanduč, Matthias Ballauff, Joachim Dzubiella
Pubblicato in: Langmuir, Numero 33/1, 2016, Pagina/e 417-427, ISSN 0743-7463
Editore: American Chemical Society
DOI: 10.1021/acs.langmuir.6b03797

Tuning the Permeability of Dense Membranes by Shaping Nanoscale Potentials

Autori: Won Kyu Kim, Matej Kanduč, Rafael Roa, Joachim Dzubiella
Pubblicato in: Physical Review Letters, Numero 122/10, 2019, ISSN 0031-9007
Editore: American Physical Society
DOI: 10.1103/PhysRevLett.122.108001

Sorption and Spatial Distribution of Protein Globules in Charged Hydrogel Particles

Autori: Irene Adroher-Benítez, Arturo Moncho-Jordá, Joachim Dzubiella
Pubblicato in: Langmuir, Numero 33/18, 2017, Pagina/e 4567-4577, ISSN 0743-7463
Editore: American Chemical Society
DOI: 10.1021/acs.langmuir.7b00356

Selective Molecular Transport in Thermoresponsive Polymer Membranes: Role of Nanoscale Hydration and Fluctuations

Autori: Matej Kanduč, Won Kyu Kim, Rafael Roa, Joachim Dzubiella
Pubblicato in: Macromolecules, Numero 51/13, 2018, Pagina/e 4853-4864, ISSN 0024-9297
Editore: American Chemical Society
DOI: 10.1021/acs.macromol.8b00735

Variational implicit-solvent predictions of the dry–wet transition pathways for ligand–receptor binding and unbinding kinetics

Autori: Shenggao Zhou, R. Gregor Weiß, Li-Tien Cheng, Joachim Dzubiella, J. Andrew McCammon, Bo Li
Pubblicato in: Proceedings of the National Academy of Sciences, Numero 116/30, 2019, Pagina/e 14989-14994, ISSN 0027-8424
Editore: National Academy of Sciences
DOI: 10.1073/pnas.1902719116

Charge and hydration structure of dendritic polyelectrolytes: molecular simulations of polyglycerol sulphate

Autori: Rohit Nikam, Xiao Xu, Matthias Ballauff, Matej Kanduč, Joachim Dzubiella
Pubblicato in: Soft Matter, Numero 14/21, 2018, Pagina/e 4300-4310, ISSN 1744-683X
Editore: Royal Society of Chemistry
DOI: 10.1039/c8sm00714d

Transfer Free Energies and Partitioning of Small Molecules in Collapsed PNIPAM Polymers

Autori: Matej Kanduč, Won Kyu Kim, Rafael Roa, Joachim Dzubiella
Pubblicato in: The Journal of Physical Chemistry B, Numero 123/3, 2018, Pagina/e 720-728, ISSN 1520-6106
Editore: American Chemical Society
DOI: 10.1021/acs.jpcb.8b10134

Nonequilibrium Uptake Kinetics of Molecular Cargo into Hollow Hydrogels Tuned by Electrosteric Interactions

Autori: Arturo Moncho-Jordá, Alicia Germán-Bellod, Stefano Angioletti-Uberti, Irene Adroher-Benítez, Joachim Dzubiella
Pubblicato in: ACS Nano, 2019, ISSN 1936-0851
Editore: American Chemical Society
DOI: 10.1021/acsnano.8b07609

Tailoring the Variational Implicit Solvent Method for New Challenges: Biomolecular Recognition and Assembly

Autori: Clarisse Gravina Ricci, Bo Li, Li-Tien Cheng, Joachim Dzubiella, J. Andrew McCammon
Pubblicato in: Frontiers in Molecular Biosciences, Numero 5, 2018, ISSN 2296-889X
Editore: Frontiers in molecular biosciences
DOI: 10.3389/fmolb.2018.00013

Cross-linker effect on solute adsorption in swollen thermoresponsive polymer networks

Autori: Sebastian Milster, Richard Chudoba, Matej Kanduč, Joachim Dzubiella
Pubblicato in: Physical Chemistry Chemical Physics, Numero 21/12, 2019, Pagina/e 6588-6599, ISSN 1463-9076
Editore: Royal Society of Chemistry
DOI: 10.1039/C8CP07601D

Ionic structure around polarizable metal nanoparticles in aqueous electrolytes

Autori: Bendix Petersen, Rafael Roa, Joachim Dzubiella, Matej Kanduč
Pubblicato in: Soft Matter, Numero 14/20, 2018, Pagina/e 4053-4063, ISSN 1744-683X
Editore: Royal Society of Chemistry
DOI: 10.1039/c8sm00399h

Modeling of stimuli-responsive nanoreactors: rational rate control towards the design of colloidal enzymes

Autori: Matej Kanduč, Won Kyu Kim, Rafael Roa, Joachim Dzubiella
Pubblicato in: Molecular Systems Design & Engineering, 2020, ISSN 2058-9689
Editore: Royal Society of Chemistry
DOI: 10.1039/c9me00106a

Enhanced Catalytic Activity of Gold@Polydopamine Nanoreactors with Multi-compartment Structure Under NIR Irradiation

Autori: Shilin Mei, Zdravko Kochovski, Rafael Roa, Sasa Gu, Xiaohui Xu, Hongtao Yu, Joachim Dzubiella, Matthias Ballauff, Yan Lu
Pubblicato in: Nano-Micro Letters, Numero 11/1, 2019, ISSN 2150-5551
Editore: Open Access Science Online
DOI: 10.1007/s40820-019-0314-9

Aqueous Nanoclusters Govern Ion Partitioning in Dense Polymer Membranes

Autori: Matej Kanduč, Won Kyu Kim, Rafael Roa, Joachim Dzubiella
Pubblicato in: ACS Nano, Numero 13/10, 2019, Pagina/e 11224-11234, ISSN 1936-0851
Editore: American Chemical Society
DOI: 10.1021/acsnano.9b04279

Thermal Compaction of Disordered and Elastin-like Polypeptides: A Temperature-Dependent, Sequence-Specific Coarse-Grained Simulation Model

Autori: Upayan Baul, Michael Bley, Joachim Dzubiella
Pubblicato in: Biomacromolecules, Numero 21/9, 2020, Pagina/e 3523-3538, ISSN 1525-7797
Editore: American Chemical Society
DOI: 10.1021/acs.biomac.0c00546

Structure and position-dependent properties of inhomogeneous suspensions of responsive colloids

Autori: Yi-Chen Lin, Benjamin Rotenberg, and Joachim Dzubiella
Pubblicato in: Phys. Rev. E, 2020, ISSN 2470-0045
Editore: AIP

Ion-specific adsorption on bare gold nanoparticles in aqueous solution: double-layer structure and surface potentials

Autori: Zhujie Li, Victor G. Ruiz, Matej Kanduč, Joachim Dzubiella
Pubblicato in: Langmuir, 2020, ISSN 0743-7463
Editore: American Chemical Society