Multiscale modelling of stimuli-responsive nanoreactors

Publikacje

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

Autorzy: Matej Kanduc, Won Kyu Kim, Rafael Roa, and Joachim Dzubiella
Opublikowane w: ACS Nano, 2020, ISSN 1936-0851
Wydawca: American Chemical Society

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

Autorzy: Arturo Moncho-Jordá, Joachim Dzubiella
Opublikowane w: Physical Review Letters, Numer 125/7, 2020, Strona(/y) 078001, ISSN 0031-9007
Wydawca: American Physical Society
DOI: 10.1103/physrevlett.125.078001

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

Autorzy: Yi-Chen Lin, Won Kyu Kim, and Joachim Dzubiella
Opublikowane w: J. Phys. Chem. C, 2020, ISSN 1932-7447
Wydawca: American Chemical Society

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

Autorzy: Rohit Nikam, Xiao Xu, Matej Kanduč, Joachim Dzubiella
Opublikowane w: The Journal of Chemical Physics, Numer 153/4, 2020, Strona(/y) 044904, ISSN 0021-9606
Wydawca: American Institute of Physics
DOI: 10.1063/5.0018306

Tuning the selective permeability of polydisperse polymer networks

Autorzy: Won Kyu Kim, Richard Chudoba, Sebastian Milster, Rafael Roa, Matej Kanduč, Joachim Dzubiella
Opublikowane w: Soft Matter, Numer 16/35, 2020, Strona(/y) 8144-8154, ISSN 1744-683X
Wydawca: Royal Society of Chemistry
DOI: 10.1039/d0sm01083a

Catalyzed Bimolecular Reactions in Responsive Nanoreactors

Autorzy: Rafael Roa, Won Kyu Kim, Matej Kanduč, Joachim Dzubiella, Stefano Angioletti-Uberti
Opublikowane w: ACS Catalysis, Numer 7/9, 2017, Strona(/y) 5604-5611, ISSN 2155-5435
Wydawca: American Chemical Society
DOI: 10.1021/acscatal.7b01701

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

Autorzy: Won Kyu Kim, Arturo Moncho-Jordá, Rafael Roa, Matej Kanduč, Joachim Dzubiella
Opublikowane w: Macromolecules, Numer 50/16, 2017, Strona(/y) 6227-6237, ISSN 0024-9297
Wydawca: American Chemical Society
DOI: 10.1021/acs.macromol.7b01206

Product interactions and feedback in diffusion-controlled reactions

Autorzy: Rafael Roa, Toni Siegl, Won Kyu Kim, Joachim Dzubiella
Opublikowane w: The Journal of Chemical Physics, Numer 148/6, 2018, Strona(/y) 064705, ISSN 0021-9606
Wydawca: American Institute of Physics
DOI: 10.1063/1.5016608

Catalysis by Metallic Nanoparticles in Solution: Thermosensitive Microgels as Nanoreactors

Autorzy: Rafael Roa, Stefano Angioletti-Uberti, Yan Lu, Joachim Dzubiella, Francesco Piazza, Matthias Ballauff
Opublikowane w: Zeitschrift für Physikalische Chemie, Numer 0/0, 2018, ISSN 0942-9352
Wydawca: Oldenbourg Wissenschaftsverlag GmbH
DOI: 10.1515/zpch-2017-1078

Communication: Resonance reaction in diffusion-influenced bimolecular reactions

Autorzy: Jakob J. Kolb, Stefano Angioletti-Uberti, Joachim Dzubiella
Opublikowane w: The Journal of Chemical Physics, Numer 144/8, 2016, Strona(/y) 081102, ISSN 0021-9606
Wydawca: 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

Autorzy: Arturo Moncho-Jordá, Joachim Dzubiella
Opublikowane w: Phys. Chem. Chem. Phys., Numer 18/7, 2016, Strona(/y) 5372-5385, ISSN 1463-9076
Wydawca: Royal Society of Chemistry
DOI: 10.1039/C5CP07794J

Theory of Solvation-Controlled Reactions in Stimuli-Responsive Nanoreactors

Autorzy: Stefano Angioletti-Uberti, Yan Lu, Matthias Ballauff, Joachim Dzubiella
Opublikowane w: The Journal of Physical Chemistry C, Numer 119/27, 2015, Strona(/y) 15723-15730, ISSN 1932-7447
Wydawca: American Chemical Society
DOI: 10.1021/acs.jpcc.5b03830

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

Autorzy: 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
Opublikowane w: J. Mater. Chem. A, Numer 4/24, 2016, Strona(/y) 9677-9684, ISSN 2050-7488
Wydawca: Royal Society of Chemistry
DOI: 10.1039/C6TA03528K

Guanidinium can both Cause and Prevent the Hydrophobic Collapse of Biomacromolecules

Autorzy: Jan Heyda, Halil I. Okur, Jana Hladílková, Kelvin B. Rembert, William Hunn, Tinglu Yang, Joachim Dzubiella, Pavel Jungwirth, Paul S. Cremer
Opublikowane w: Journal of the American Chemical Society, Numer 139/2, 2017, Strona(/y) 863-870, ISSN 0002-7863
Wydawca: American Chemical Society
DOI: 10.1021/jacs.6b11082

Tuning the critical solution temperature of polymers by copolymerization

Autorzy: Bernhard Schulz, Richard Chudoba, Jan Heyda, Joachim Dzubiella
Opublikowane w: The Journal of Chemical Physics, Numer 143/24, 2015, Strona(/y) 243119, ISSN 0021-9606
Wydawca: American Institute of Physics
DOI: 10.1063/1.4934017

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

Autorzy: Marta Galanti, Duccio Fanelli, Stefano Angioletti-Uberti, Matthias Ballauff, Joachim Dzubiella, Francesco Piazza
Opublikowane w: Phys. Chem. Chem. Phys., Numer 18/30, 2016, Strona(/y) 20758-20767, ISSN 1463-9076
Wydawca: Royal Society of Chemistry
DOI: 10.1039/C6CP01179A

Selective solute adsorption and partitioning around single PNIPAM chains

Autorzy: Matej Kanduč, Richard Chudoba, Karol Palczynski, Won Kyu Kim, Rafael Roa, Joachim Dzubiella
Opublikowane w: Phys. Chem. Chem. Phys., Numer 19/8, 2017, Strona(/y) 5906-5916, ISSN 1463-9076
Wydawca: Royal Society of Chemistry
DOI: 10.1039/C6CP08366H

Potential of mean force and transient states in polyelectrolyte pair complexation

Autorzy: Xiao Xu, Matej Kanduč, Jianzhong Wu, Joachim Dzubiella
Opublikowane w: The Journal of Chemical Physics, Numer 145/3, 2016, Strona(/y) 034901, ISSN 0021-9606
Wydawca: 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

Autorzy: Nicolas Dubouis, Chanbum Park, Michaël Deschamps, Soufiane Abdelghani-Idrissi, Matej Kanduč, Annie Colin, Mathieu Salanne, Joachim Dzubiella, Alexis Grimaud, Benjamin Rotenberg
Opublikowane w: ACS Central Science, Numer 5/4, 2019, Strona(/y) 640-643, ISSN 2374-7943
Wydawca: ACS
DOI: 10.1021/acscentsci.8b00955

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

Autorzy: Cemil Yigit, Matej Kanduč, Matthias Ballauff, Joachim Dzubiella
Opublikowane w: Langmuir, Numer 33/1, 2016, Strona(/y) 417-427, ISSN 0743-7463
Wydawca: American Chemical Society
DOI: 10.1021/acs.langmuir.6b03797

Tuning the Permeability of Dense Membranes by Shaping Nanoscale Potentials

Autorzy: Won Kyu Kim, Matej Kanduč, Rafael Roa, Joachim Dzubiella
Opublikowane w: Physical Review Letters, Numer 122/10, 2019, ISSN 0031-9007
Wydawca: American Physical Society
DOI: 10.1103/PhysRevLett.122.108001

Sorption and Spatial Distribution of Protein Globules in Charged Hydrogel Particles

Autorzy: Irene Adroher-Benítez, Arturo Moncho-Jordá, Joachim Dzubiella
Opublikowane w: Langmuir, Numer 33/18, 2017, Strona(/y) 4567-4577, ISSN 0743-7463
Wydawca: American Chemical Society
DOI: 10.1021/acs.langmuir.7b00356

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

Autorzy: Matej Kanduč, Won Kyu Kim, Rafael Roa, Joachim Dzubiella
Opublikowane w: Macromolecules, Numer 51/13, 2018, Strona(/y) 4853-4864, ISSN 0024-9297
Wydawca: 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

Autorzy: Shenggao Zhou, R. Gregor Weiß, Li-Tien Cheng, Joachim Dzubiella, J. Andrew McCammon, Bo Li
Opublikowane w: Proceedings of the National Academy of Sciences, Numer 116/30, 2019, Strona(/y) 14989-14994, ISSN 0027-8424
Wydawca: National Academy of Sciences
DOI: 10.1073/pnas.1902719116

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

Autorzy: Rohit Nikam, Xiao Xu, Matthias Ballauff, Matej Kanduč, Joachim Dzubiella
Opublikowane w: Soft Matter, Numer 14/21, 2018, Strona(/y) 4300-4310, ISSN 1744-683X
Wydawca: Royal Society of Chemistry
DOI: 10.1039/c8sm00714d

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

Autorzy: Matej Kanduč, Won Kyu Kim, Rafael Roa, Joachim Dzubiella
Opublikowane w: The Journal of Physical Chemistry B, Numer 123/3, 2018, Strona(/y) 720-728, ISSN 1520-6106
Wydawca: American Chemical Society
DOI: 10.1021/acs.jpcb.8b10134

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

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

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

Autorzy: Clarisse Gravina Ricci, Bo Li, Li-Tien Cheng, Joachim Dzubiella, J. Andrew McCammon
Opublikowane w: Frontiers in Molecular Biosciences, Numer 5, 2018, ISSN 2296-889X
Wydawca: Frontiers in molecular biosciences
DOI: 10.3389/fmolb.2018.00013

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

Autorzy: Sebastian Milster, Richard Chudoba, Matej Kanduč, Joachim Dzubiella
Opublikowane w: Physical Chemistry Chemical Physics, Numer 21/12, 2019, Strona(/y) 6588-6599, ISSN 1463-9076
Wydawca: Royal Society of Chemistry
DOI: 10.1039/C8CP07601D

Ionic structure around polarizable metal nanoparticles in aqueous electrolytes

Autorzy: Bendix Petersen, Rafael Roa, Joachim Dzubiella, Matej Kanduč
Opublikowane w: Soft Matter, Numer 14/20, 2018, Strona(/y) 4053-4063, ISSN 1744-683X
Wydawca: Royal Society of Chemistry
DOI: 10.1039/c8sm00399h

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

Autorzy: Matej Kanduč, Won Kyu Kim, Rafael Roa, Joachim Dzubiella
Opublikowane w: Molecular Systems Design & Engineering, 2020, ISSN 2058-9689
Wydawca: Royal Society of Chemistry
DOI: 10.1039/c9me00106a

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

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

Aqueous Nanoclusters Govern Ion Partitioning in Dense Polymer Membranes

Autorzy: Matej Kanduč, Won Kyu Kim, Rafael Roa, Joachim Dzubiella
Opublikowane w: ACS Nano, Numer 13/10, 2019, Strona(/y) 11224-11234, ISSN 1936-0851
Wydawca: 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

Autorzy: Upayan Baul, Michael Bley, Joachim Dzubiella
Opublikowane w: Biomacromolecules, Numer 21/9, 2020, Strona(/y) 3523-3538, ISSN 1525-7797
Wydawca: American Chemical Society
DOI: 10.1021/acs.biomac.0c00546

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

Autorzy: Yi-Chen Lin, Benjamin Rotenberg, and Joachim Dzubiella
Opublikowane w: Phys. Rev. E, 2020, ISSN 2470-0045
Wydawca: AIP

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

Autorzy: Zhujie Li, Victor G. Ruiz, Matej Kanduč, Joachim Dzubiella
Opublikowane w: Langmuir, 2020, ISSN 0743-7463
Wydawca: American Chemical Society

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