Multiscale modelling of stimuli-responsive nanoreactors

Publicaciones

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

Autores: Matej Kanduc, Won Kyu Kim, Rafael Roa, and Joachim Dzubiella
Publicado en: ACS Nano, 2020, ISSN 1936-0851
Editor: American Chemical Society

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

Autores: Arturo Moncho-Jordá, Joachim Dzubiella
Publicado en: Physical Review Letters, Edición 125/7, 2020, Página(s) 078001, ISSN 0031-9007
Editor: American Physical Society
DOI: 10.1103/physrevlett.125.078001

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

Autores: Yi-Chen Lin, Won Kyu Kim, and Joachim Dzubiella
Publicado en: J. Phys. Chem. C, 2020, ISSN 1932-7447
Editor: American Chemical Society

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

Autores: Rohit Nikam, Xiao Xu, Matej Kanduč, Joachim Dzubiella
Publicado en: The Journal of Chemical Physics, Edición 153/4, 2020, Página(s) 044904, ISSN 0021-9606
Editor: American Institute of Physics
DOI: 10.1063/5.0018306

Tuning the selective permeability of polydisperse polymer networks

Autores: Won Kyu Kim, Richard Chudoba, Sebastian Milster, Rafael Roa, Matej Kanduč, Joachim Dzubiella
Publicado en: Soft Matter, Edición 16/35, 2020, Página(s) 8144-8154, ISSN 1744-683X
Editor: Royal Society of Chemistry
DOI: 10.1039/d0sm01083a

Catalyzed Bimolecular Reactions in Responsive Nanoreactors

Autores: Rafael Roa, Won Kyu Kim, Matej Kanduč, Joachim Dzubiella, Stefano Angioletti-Uberti
Publicado en: ACS Catalysis, Edición 7/9, 2017, Página(s) 5604-5611, ISSN 2155-5435
Editor: American Chemical Society
DOI: 10.1021/acscatal.7b01701

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

Autores: Won Kyu Kim, Arturo Moncho-Jordá, Rafael Roa, Matej Kanduč, Joachim Dzubiella
Publicado en: Macromolecules, Edición 50/16, 2017, Página(s) 6227-6237, ISSN 0024-9297
Editor: American Chemical Society
DOI: 10.1021/acs.macromol.7b01206

Product interactions and feedback in diffusion-controlled reactions

Autores: Rafael Roa, Toni Siegl, Won Kyu Kim, Joachim Dzubiella
Publicado en: The Journal of Chemical Physics, Edición 148/6, 2018, Página(s) 064705, ISSN 0021-9606
Editor: American Institute of Physics
DOI: 10.1063/1.5016608

Catalysis by Metallic Nanoparticles in Solution: Thermosensitive Microgels as Nanoreactors

Autores: Rafael Roa, Stefano Angioletti-Uberti, Yan Lu, Joachim Dzubiella, Francesco Piazza, Matthias Ballauff
Publicado en: Zeitschrift für Physikalische Chemie, Edición 0/0, 2018, ISSN 0942-9352
Editor: Oldenbourg Wissenschaftsverlag GmbH
DOI: 10.1515/zpch-2017-1078

Communication: Resonance reaction in diffusion-influenced bimolecular reactions

Autores: Jakob J. Kolb, Stefano Angioletti-Uberti, Joachim Dzubiella
Publicado en: The Journal of Chemical Physics, Edición 144/8, 2016, Página(s) 081102, ISSN 0021-9606
Editor: 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

Autores: Arturo Moncho-Jordá, Joachim Dzubiella
Publicado en: Phys. Chem. Chem. Phys., Edición 18/7, 2016, Página(s) 5372-5385, ISSN 1463-9076
Editor: Royal Society of Chemistry
DOI: 10.1039/C5CP07794J

Theory of Solvation-Controlled Reactions in Stimuli-Responsive Nanoreactors

Autores: Stefano Angioletti-Uberti, Yan Lu, Matthias Ballauff, Joachim Dzubiella
Publicado en: The Journal of Physical Chemistry C, Edición 119/27, 2015, Página(s) 15723-15730, ISSN 1932-7447
Editor: American Chemical Society
DOI: 10.1021/acs.jpcc.5b03830

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

Autores: 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
Publicado en: J. Mater. Chem. A, Edición 4/24, 2016, Página(s) 9677-9684, ISSN 2050-7488
Editor: Royal Society of Chemistry
DOI: 10.1039/C6TA03528K

Guanidinium can both Cause and Prevent the Hydrophobic Collapse of Biomacromolecules

Autores: Jan Heyda, Halil I. Okur, Jana Hladílková, Kelvin B. Rembert, William Hunn, Tinglu Yang, Joachim Dzubiella, Pavel Jungwirth, Paul S. Cremer
Publicado en: Journal of the American Chemical Society, Edición 139/2, 2017, Página(s) 863-870, ISSN 0002-7863
Editor: American Chemical Society
DOI: 10.1021/jacs.6b11082

Tuning the critical solution temperature of polymers by copolymerization

Autores: Bernhard Schulz, Richard Chudoba, Jan Heyda, Joachim Dzubiella
Publicado en: The Journal of Chemical Physics, Edición 143/24, 2015, Página(s) 243119, ISSN 0021-9606
Editor: American Institute of Physics
DOI: 10.1063/1.4934017

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

Autores: Marta Galanti, Duccio Fanelli, Stefano Angioletti-Uberti, Matthias Ballauff, Joachim Dzubiella, Francesco Piazza
Publicado en: Phys. Chem. Chem. Phys., Edición 18/30, 2016, Página(s) 20758-20767, ISSN 1463-9076
Editor: Royal Society of Chemistry
DOI: 10.1039/C6CP01179A

Selective solute adsorption and partitioning around single PNIPAM chains

Autores: Matej Kanduč, Richard Chudoba, Karol Palczynski, Won Kyu Kim, Rafael Roa, Joachim Dzubiella
Publicado en: Phys. Chem. Chem. Phys., Edición 19/8, 2017, Página(s) 5906-5916, ISSN 1463-9076
Editor: Royal Society of Chemistry
DOI: 10.1039/C6CP08366H

Potential of mean force and transient states in polyelectrolyte pair complexation

Autores: Xiao Xu, Matej Kanduč, Jianzhong Wu, Joachim Dzubiella
Publicado en: The Journal of Chemical Physics, Edición 145/3, 2016, Página(s) 034901, ISSN 0021-9606
Editor: 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

Autores: Nicolas Dubouis, Chanbum Park, Michaël Deschamps, Soufiane Abdelghani-Idrissi, Matej Kanduč, Annie Colin, Mathieu Salanne, Joachim Dzubiella, Alexis Grimaud, Benjamin Rotenberg
Publicado en: ACS Central Science, Edición 5/4, 2019, Página(s) 640-643, ISSN 2374-7943
Editor: ACS
DOI: 10.1021/acscentsci.8b00955

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

Autores: Cemil Yigit, Matej Kanduč, Matthias Ballauff, Joachim Dzubiella
Publicado en: Langmuir, Edición 33/1, 2016, Página(s) 417-427, ISSN 0743-7463
Editor: American Chemical Society
DOI: 10.1021/acs.langmuir.6b03797

Tuning the Permeability of Dense Membranes by Shaping Nanoscale Potentials

Autores: Won Kyu Kim, Matej Kanduč, Rafael Roa, Joachim Dzubiella
Publicado en: Physical Review Letters, Edición 122/10, 2019, ISSN 0031-9007
Editor: American Physical Society
DOI: 10.1103/PhysRevLett.122.108001

Sorption and Spatial Distribution of Protein Globules in Charged Hydrogel Particles

Autores: Irene Adroher-Benítez, Arturo Moncho-Jordá, Joachim Dzubiella
Publicado en: Langmuir, Edición 33/18, 2017, Página(s) 4567-4577, ISSN 0743-7463
Editor: American Chemical Society
DOI: 10.1021/acs.langmuir.7b00356

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

Autores: Matej Kanduč, Won Kyu Kim, Rafael Roa, Joachim Dzubiella
Publicado en: Macromolecules, Edición 51/13, 2018, Página(s) 4853-4864, ISSN 0024-9297
Editor: 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

Autores: Shenggao Zhou, R. Gregor Weiß, Li-Tien Cheng, Joachim Dzubiella, J. Andrew McCammon, Bo Li
Publicado en: Proceedings of the National Academy of Sciences, Edición 116/30, 2019, Página(s) 14989-14994, ISSN 0027-8424
Editor: National Academy of Sciences
DOI: 10.1073/pnas.1902719116

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

Autores: Rohit Nikam, Xiao Xu, Matthias Ballauff, Matej Kanduč, Joachim Dzubiella
Publicado en: Soft Matter, Edición 14/21, 2018, Página(s) 4300-4310, ISSN 1744-683X
Editor: Royal Society of Chemistry
DOI: 10.1039/c8sm00714d

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

Autores: Matej Kanduč, Won Kyu Kim, Rafael Roa, Joachim Dzubiella
Publicado en: The Journal of Physical Chemistry B, Edición 123/3, 2018, Página(s) 720-728, ISSN 1520-6106
Editor: American Chemical Society
DOI: 10.1021/acs.jpcb.8b10134

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

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

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

Autores: Clarisse Gravina Ricci, Bo Li, Li-Tien Cheng, Joachim Dzubiella, J. Andrew McCammon
Publicado en: Frontiers in Molecular Biosciences, Edición 5, 2018, ISSN 2296-889X
Editor: Frontiers in molecular biosciences
DOI: 10.3389/fmolb.2018.00013

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

Autores: Sebastian Milster, Richard Chudoba, Matej Kanduč, Joachim Dzubiella
Publicado en: Physical Chemistry Chemical Physics, Edición 21/12, 2019, Página(s) 6588-6599, ISSN 1463-9076
Editor: Royal Society of Chemistry
DOI: 10.1039/C8CP07601D

Ionic structure around polarizable metal nanoparticles in aqueous electrolytes

Autores: Bendix Petersen, Rafael Roa, Joachim Dzubiella, Matej Kanduč
Publicado en: Soft Matter, Edición 14/20, 2018, Página(s) 4053-4063, ISSN 1744-683X
Editor: Royal Society of Chemistry
DOI: 10.1039/c8sm00399h

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

Autores: Matej Kanduč, Won Kyu Kim, Rafael Roa, Joachim Dzubiella
Publicado en: Molecular Systems Design & Engineering, 2020, ISSN 2058-9689
Editor: Royal Society of Chemistry
DOI: 10.1039/c9me00106a

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

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

Aqueous Nanoclusters Govern Ion Partitioning in Dense Polymer Membranes

Autores: Matej Kanduč, Won Kyu Kim, Rafael Roa, Joachim Dzubiella
Publicado en: ACS Nano, Edición 13/10, 2019, Página(s) 11224-11234, ISSN 1936-0851
Editor: 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

Autores: Upayan Baul, Michael Bley, Joachim Dzubiella
Publicado en: Biomacromolecules, Edición 21/9, 2020, Página(s) 3523-3538, ISSN 1525-7797
Editor: American Chemical Society
DOI: 10.1021/acs.biomac.0c00546

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

Autores: Yi-Chen Lin, Benjamin Rotenberg, and Joachim Dzubiella
Publicado en: Phys. Rev. E, 2020, ISSN 2470-0045
Editor: AIP

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

Autores: Zhujie Li, Victor G. Ruiz, Matej Kanduč, Joachim Dzubiella
Publicado en: Langmuir, 2020, ISSN 0743-7463
Editor: American Chemical Society

Buscando datos de OpenAIRE...

Publicaciones

Compartir esta página

Descargar