TRANSPORT OF SOFT MATTER AT THE NANOSCALE

Deliverables

Hybrid simulation code

Combining hydrodynamics and differential solubility

Assembly and swarming of microparticles

Polarized microscopy / particle velocimetry image analysis

Electrolyte polarization for deformable colloids

Theory of polarization coupled to fluid flow & particle deformation

Novel lab-on-a-chip system for nanofluidic applications

Achieving complete control of boundaries and nanoparticles

Novel hybrid atomistic/mesoscale method

Multiscale computer simulations of phoretic phenomena

Collective polymer flow

Theory of collective transport through structured nanochannels

Transport of unknotted ring polymers in nanochannels

Theory for Taylor dispersion relation of ring polymer flow

Publish a synthesis method for large-area graphene sheets

Transfer onto optical lenses with sub-nanometre roughness

Liquid-solid friction in micro-fabrication techniques

Theory of electric correlations and liquid-solid friction

Determination of phoretic coefficient in diffusiophoresis

Based on the new simulation method developed within project

Droplets stability in nanofluidic devices

Prediction for stability based on simulated binary fluid flow

New data for macromolecular characterization

Translocation experiments of DNA/proteins in nanochannels

Theory of dynamics of counterion condensation

Derivation of dynamic correlations in weak & strong coupling regimes

Dissemination / Outreach activities report 1

Report on Dissemination / Outreach activities for the first reporting period: Public lectures: A series of public talks on soft matter organized in connection to NANOTRANS annual meetings Outreach activities: Activities as detailed in the part B of the proposal. Release to press and media about ITN & Marie Curie Actions, and about NANOTRANS research achievements. Press release will be carried out at several occassions, e.g. in months 6, 24 and 42. Case Study Report for the first reporting period: Evaluation of training instruments Scientific publications : Research published in high-impact peer-reviewed journals. (M24) Products & Patents: Products / patents (M24)

Single polymer flow

Report on polymer dynamics simulations in nanochannels

Dissemination / Outreach activities report 2

Report on Dissemination / Outreach activities for the second reporting period: Public lectures: A series of public talks on soft matter organized in connection to NANOTRANS annual meetings Outreach activities: Activities as detailed in the part B of the proposal. Release to press and media about ITN & Marie Curie Actions, and about NANOTRANS research achievements. Press release will be carried out at several occassions, e.g. in months 6, 24 and 42. Topical WS: Electrokinetics / Discussion meeting focused on electrokinetic phenomena (Lead: FUB) (M34) Topical WS: Nanofluidics / Discussion meeting on progress in nanofluidics (Lead: CNRS) (M34) Topical WS: Polymer flow / Discussion meeting on polymer flow in confinement (Lead: UNIVIE) (M34) Topical WS: Characterization / Discussion meeting on the methods for nano-characterization (Lead: COR) (M34) Conference: Medium size international conference on transport of soft matter at the nanoscale (M42) Summer School Proceedings: Bookstyle proceedings of the summer school (M48) Case Study Report for the second reporting period: Evaluation of training instruments Scientific publications (>100): Research published in high-impact peer-reviewed journals. At least 3 publications per ESR + many more from PIs involved. (M48) Products & Patents (>10): Some projects will deliver products / patents. We anticipate more than 10 (excluding software products). (M48)

Prediction for electrokinetic flow and conductivity

As a function of driving field, surface and ionic conditions

Nanofilters/separators design

Structured nanochannels design for separating knotted polymers

Training Report 2

Training activities for the second reporting period: - Advanced Training Modules T1-T8 - Transferable Skills Modules S1-S8 - NANOTRANS Summer school (Month 30)

Training Report 1

Training activities for the first reporting period: - Advanced Training Modules T1-T8 - Transferable Skills Modules S1-S8

Solvent evaporation kinetics and particle arrangement

Report on systematic exploration of dynamics in particle-based gels

Creation of composite-material nanotubes

Report on transport measurements inside individual nanotubes

Theory: electroacoustic signal

Report on analytical theory

Hybrid computatrional model

Exact el. profiles + fluid flow

Commercial program for use by experimental groups

Coarse grained simulation code based on atomistic input

Newly parameterized atomistic force field

Optimization for studying shear flow of confined water

NANOTRANS Web page

Launching the web portal for public dissemination and network management purposes

Assembly and swarming of liquid microplets

Micrographs of swarms carrying cargo along reconfigurable paths

New simulation code

MPC/LB code for electroacoustics

Ab initio MD code

Simulating water/H-bonds properties in nanoconfinement

Bread board prototype system based on DP-OCT technique

System for low coherence zeta potential measurements

Apparatus for controlling voltage between graphene sheets

Parallel sheets of controlled separation from 0 100 nm

Prototype nanofluidic devices

Osmotic diodes, ionic pumps…

Publications

Topology-Sensitive Microfluidic Filter for Polymers of Varying Stiffness

Author(s): Lisa B. Weiss, Arash Nikoubashman, Christos N. Likos
Published in: ACS Macro Letters, Issue 6/12, 2017, Page(s) 1426-1431, ISSN 2161-1653
Publisher: American Chemical Society
DOI: 10.1021/acsmacrolett.7b00768

Nonequilibrium dynamics of probe filaments in actin-myosin networks

Author(s): J. Gladrow, C. P. Broedersz, C. F. Schmidt
Published in: Physical Review E, Issue 96/2, 2017, ISSN 2470-0045
Publisher: American Physical Society
DOI: 10.1103/PhysRevE.96.022408

Broken detailed balance and non-equilibrium dynamics in living systems: a review

Author(s): F S Gnesotto, F Mura, J Gladrow, C P Broedersz
Published in: Reports on Progress in Physics, Issue 81/6, 2018, Page(s) 066601, ISSN 0034-4885
Publisher: Institute of Physics Publishing
DOI: 10.1088/1361-6633/aab3ed

Contact-free calibration of an asymmetric multi-layer interferometer for the surface force balance

Author(s): Marco Balabajew, Christian D. van Engers, Susan Perkin
Published in: Review of Scientific Instruments, Issue 88/12, 2017, Page(s) 123903, ISSN 0034-6748
Publisher: American Institute of Physics
DOI: 10.1063/1.5006056

Particle transport across a channel via an oscillating potential

Author(s): Yizhou Tan, Jannes Gladrow, Ulrich F. Keyser, Leonardo Dagdug, Stefano Pagliara
Published in: Physical Review E, Issue 96/5, 2017, ISSN 2470-0045
Publisher: American Physical Society
DOI: 10.1103/PhysRevE.96.052401

Active nematic emulsions

Author(s): Pau Guillamat, Žiga Kos, Jérôme Hardoüin, Jordi Ignés-Mullol, Miha Ravnik, Francesc Sagués
Published in: Science Advances, Issue 4/4, 2018, Page(s) eaao1470, ISSN 2375-2548
Publisher: Science
DOI: 10.1126/sciadv.aao1470

Active Brownian Filamentous Polymers under Shear Flow

Author(s): Aitor Martín-Gómez, Gerhard Gompper, Roland Winkler
Published in: Polymers, Issue 10/8, 2018, Page(s) 837, ISSN 2073-4360
Publisher: MDPI : Basel 2009-
DOI: 10.3390/polym10080837

Optimizing Brownian escape rates by potential shaping

Author(s): Marie Chupeau, Jannes Gladrow, Alexei Chepelianskii, Ulrich F. Keyser, Emmanuel Trizac
Published in: Proceedings of the National Academy of Sciences, Issue 117/3, 2020, Page(s) 1383-1388, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.1910677116

Computation of the Hydrodynamic Radius of Charged Nanoparticles from Non-equilibrium Molecular Dynamics

Author(s): Weiss, Lisa,; Dahirel, Vincent; Marry, Virginie; Jardat, Marie
Published in: J. Phys. Chem. B, Issue 122, 2018, Page(s) 5940−5950, ISSN 1520-6106
Publisher: American Chemical Society
DOI: 10.1021/acs.jpcb.8b01153

Lattice Boltzmann electrokinetics simulation of nanocapacitors

Author(s): Adelchi J. Asta, Ivan Palaia, Emmanuel Trizac, Maximilien Levesque, Benjamin Rotenberg
Published in: The Journal of Chemical Physics, Issue 151/11, 2019, Page(s) 114104, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/1.5119341

Confinement-controlled rectification in a geometric nanofluidic diode

Author(s): S. Dal Cengio, I. Pagonabarraga
Published in: The Journal of Chemical Physics, Issue 151/4, 2019, Page(s) 044707, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/1.5108723

Linear Response Theory and Green-Kubo Relations for Active Matter

Author(s): Sara Dal Cengio, Demian Levis, Ignacio Pagonabarraga
Published in: Physical Review Letters, Issue 123/23, 2019, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/PhysRevLett.123.238003

Beyond the Tradeoff: Dynamic Selectivity in Ionic Transport and Current Rectification

Author(s): Anthony R. Poggioli, Alessandro Siria, Lydéric Bocquet
Published in: The Journal of Physical Chemistry B, Issue 123/5, 2019, Page(s) 1171-1185, ISSN 1520-6106
Publisher: American Chemical Society
DOI: 10.1021/acs.jpcb.8b11202

Dramatic pressure-sensitive ion conduction in conical nanopores

Author(s): Laetitia Jubin, Anthony Poggioli, Alessandro Siria, Lydéric Bocquet
Published in: Proceedings of the National Academy of Sciences, Issue 115/16, 2018, Page(s) 4063-4068, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.1721987115

Molecular streaming and its voltage control in ångström-scale channels

Author(s): T. Mouterde, A. Keerthi, A. R. Poggioli, S. A. Dar, A. Siria, A. K. Geim, L. Bocquet, B. Radha
Published in: Nature, Issue 567/7746, 2019, Page(s) 87-90, ISSN 0028-0836
Publisher: Nature Publishing Group
DOI: 10.1038/s41586-019-0961-5

Dynamics of Ring Disclinations Driven by Active Nematic Shells

Author(s): Jérôme Hardoüin, Pau Guillamat, Francesc Sagués, Jordi Ignés-Mullol
Published in: Frontiers in Physics, Issue 7, 2019, ISSN 2296-424X
Publisher: Frontiers
DOI: 10.3389/fphy.2019.00165

Reconfigurable flows and defect landscape of confined active nematics

Author(s): Jérôme Hardoüin, Rian Hughes, Amin Doostmohammadi, Justine Laurent, Teresa Lopez-Leon, Julia M. Yeomans, Jordi Ignés-Mullol, Francesc Sagués
Published in: Communications Physics, Issue 2/1, 2019, ISSN 2399-3650
Publisher: Nature
DOI: 10.1038/s42005-019-0221-x

Active Brownian filaments with hydrodynamic interactions: conformations and dynamics

Author(s): Aitor Martín-Gómez, Thomas Eisenstecken, Gerhard Gompper, Roland G. Winkler
Published in: Soft Matter, Issue 15/19, 2019, Page(s) 3957-3969, ISSN 1744-683X
Publisher: Royal Society of Chemistry
DOI: 10.1039/c9sm00391f

Non-Markovian data-driven modeling of single-cell motility

Author(s): Bernhard G. Mitterwallner, Christoph Schreiber, Jan O. Daldrop, Joachim O. Rädler, Roland R. Netz
Published in: Physical Review E, Issue 101/3, 2020, ISSN 2470-0053
Publisher: American Physical Society
DOI: 10.1103/physreve.101.032408

Spatial Demixing of Ring and Chain Polymers in Pressure-Driven Flow

Author(s): Lisa B. Weiss, Christos N. Likos, Arash Nikoubashman
Published in: Macromolecules, Issue 52/20, 2019, Page(s) 7858-7869, ISSN 0024-9297
Publisher: American Chemical Society
DOI: 10.1021/acs.macromol.9b01629

A correlation-hole approach to the electric double layer with counter-ions only

Author(s): Ivan Palaia, Martin Trulsson, Ladislav Šamaj, Emmanuel Trizac
Published in: Molecular Physics, Issue 116/21-22, 2018, Page(s) 3134-3146, ISSN 0026-8976
Publisher: Taylor & Francis
DOI: 10.1080/00268976.2018.1471234

Collective motion of active Brownian particles with polar alignment

Author(s): Aitor Martín-Gómez, Demian Levis, Albert Díaz-Guilera, Ignacio Pagonabarraga
Published in: Soft Matter, Issue 14/14, 2018, Page(s) 2610-2618, ISSN 1744-683X
Publisher: Royal Society of Chemistry
DOI: 10.1039/c8sm00020d

Role of image charges in ionic liquid confined between metallic interfaces

Author(s): Samuel Ntim, Marialore Sulpizi
Published in: Physical Chemistry Chemical Physics, Issue 22/19, 2020, Page(s) 10786-10791, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/d0cp00409j

Hydrodynamics and Filtering of Knotted Ring Polymers in Nanochannels

Author(s): Lisa B. Weiss, Mattia Marenda, Cristian Micheletti, Christos N. Likos
Published in: Macromolecules, Issue 52/11, 2019, Page(s) 4111-4119, ISSN 0024-9297
Publisher: American Chemical Society
DOI: 10.1021/acs.macromol.9b00516

Hydrodynamics of polymers in an active bath

Author(s): Aitor Martin-Gomez, Thomas Eisenstecken, Gerhard Gompper, Roland G. Winkler
Published in: Physical Review E, Issue 101/5, 2020, Page(s) 05612, ISSN 2470-0045
Publisher: APS
DOI: 10.1103/physreve.101.052612

Direct measurements of structural forces and twist transitions in cholesteric liquid crystal films with a surface force apparatus

Author(s): Weichao Zheng, Carla Sofia Perez-Martinez, Gia Petriashvili, Susan Perkin, Bruno Zappone
Published in: Soft Matter, Issue 15/24, 2019, Page(s) 4905-4914, ISSN 1744-683X
Publisher: Royal Society of Chemistry
DOI: 10.1039/c9sm00487d

A 3-mirror surface force balance for the investigation of fluids confined to nanoscale films between two ultra-smooth polarizable electrodes

Author(s): C. D. van Engers, M. Balabajew, A. Southam, S. Perkin
Published in: Review of Scientific Instruments, Issue 89/12, 2018, Page(s) 123901, ISSN 0034-6748
Publisher: American Institute of Physics
DOI: 10.1063/1.5045485

Effect of the interaction strength and anisotropy on the diffusio-phoresis of spherical colloids

Author(s): Jiachen Wei, Simón Ramírez-Hinestrosa, Jure Dobnikar, Daan Frenkel
Published in: Soft Matter, Issue 16/15, 2020, Page(s) 3621-3627, ISSN 1744-683X
Publisher: Royal Society of Chemistry
DOI: 10.1039/c9sm02053e

The Lennard-Jones potential: when (not) to use it

Author(s): Xipeng Wang, Simón Ramírez-Hinestrosa, Jure Dobnikar, Daan Frenkel
Published in: Physical Chemistry Chemical Physics, Issue 22/19, 2020, Page(s) 10624-10633, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/c9cp05445f

Studying polymer diffusiophoresis with non-equilibrium molecular dynamics

Author(s): S. Ramírez-Hinestrosa, H. Yoshida, L. Bocquet, D. Frenkel
Published in: The Journal of Chemical Physics, Issue 152/16, 2020, Page(s) 164901, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0007235

Rapid two-dimensional characterisation of proteins in solution

Author(s): Kadi L. Saar, Quentin Peter, Thomas Müller, Pavan K. Challa, Therese W. Herling, Tuomas P. J. Knowles
Published in: Microsystems & Nanoengineering, Issue 5/1, 2019, Page(s) s41378, ISSN 2055-7434
Publisher: Springer Nature
DOI: 10.1038/s41378-019-0072-3

Digital Sensing and Molecular Computation by an Enzyme-Free DNA Circuit

Author(s): William E. Arter, Yuriy Yusim, Quentin Peter, Christopher G. Taylor, David Klenerman, Ulrich F. Keyser, Tuomas P. J. Knowles
Published in: ACS Nano, Issue 14/5, 2020, Page(s) 5763-5771, ISSN 1936-0851
Publisher: American Chemical Society
DOI: 10.1021/acsnano.0c00628

Scalable integration of nano-, and microfluidics with hybrid two-photon lithography

Author(s): Oliver Vanderpoorten, Quentin Peter, Pavan K. Challa, Ulrich F. Keyser, Jeremy Baumberg, Clemens F. Kaminski, Tuomas P. J. Knowles
Published in: Microsystems & Nanoengineering, Issue 5/1, 2019, Page(s) s41378, ISSN 2055-7434
Publisher: Springer Nature
DOI: 10.1038/s41378-019-0080-3

Microfluidic deposition for resolving single-molecule protein architecture and heterogeneity

Author(s): Francesco Simone Ruggeri, Jerome Charmet, Tadas Kartanas, Quentin Peter, Sean Chia, Johnny Habchi, Christopher M. Dobson, Michele Vendruscolo, Tuomas P. J. Knowles
Published in: Nature Communications, Issue 9/1, 2018, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-018-06345-4

Multidimensional protein characterisation using microfluidic post-column analysis

Author(s): Tom Scheidt, Tadas Kartanas, Quentin Peter, Matthias M. Schneider, Kadi L. Saar, Thomas Müller, Pavan Kumar Challa, Aviad Levin, Sean Devenish, Tuomas P. J. Knowles
Published in: Lab on a Chip, Issue 20/15, 2020, Page(s) 2663-2673, ISSN 1473-0197
Publisher: Royal Society of Chemistry
DOI: 10.1039/d0lc00219d

Multivalent ion-induced re-entrant transition of carboxylated cellulose nanofibrils and its influence on nanomaterials’ properties

Author(s): Luis Valencia, Emma M. Nomena, Susanna Monti, Walter Rosas-Arbelaez, Aji P. Mathew, Sugam Kumar, Krassimir P. Velikov
Published in: Nanoscale, Issue 12/29, 2020, Page(s) 15652-15662, ISSN 2040-3364
Publisher: Royal Society of Chemistry
DOI: 10.1039/d0nr02888f

Drying of pickering emulsions in a viscoelastic network of cellulose microfibrils

Author(s): Emma M. Nomena, Krassimir P. Velikov
Published in: Colloids and Surfaces A: Physicochemical and Engineering Aspects, Issue 568, 2019, Page(s) 271-276, ISSN 0927-7757
Publisher: Elsevier BV
DOI: 10.1016/j.colsurfa.2019.01.075

In-Situ Growth of Metal Oxide Nanoparticles on Cellulose Nanofibrils for Dye Removal and Antimicrobial Applications

Author(s): Luis Valencia, Sugam Kumar, Emma M. Nomena, German Salazar-Alvarez, Aji P. Mathew
Published in: ACS Applied Nano Materials, Issue 3/7, 2020, Page(s) 7172-7181, ISSN 2574-0970
Publisher: ACS
DOI: 10.1021/acsanm.0c01511

Biobased Cellulose Nanofibril–Oil Composite Films for Active Edible Barriers

Author(s): Luis Valencia, Emma M. Nomena, Aji P. Mathew, Krassimir P. Velikov
Published in: ACS Applied Materials & Interfaces, Issue 11/17, 2019, Page(s) 16040-16047, ISSN 1944-8244
Publisher: American Chemical Society
DOI: 10.1021/acsami.9b02649

Unravelling the Mechanism of Stabilization and Microstructure of Oil-in-Water Emulsions by Native Cellulose Microfibrils in Primary Plant Cells Dispersions

Author(s): Emma M. Nomena, Caroline Remijn, Faranaaz Rogier, Micah van der Vaart, Panayiotis Voudouris, Krassimir P. Velikov
Published in: ACS Applied Bio Materials, Issue 1/5, 2018, Page(s) 1440-1447, ISSN 2576-6422
Publisher: ACS
DOI: 10.1021/acsabm.8b00385

Control of active turbulence through addressable soft interfaces

Author(s): P Guillamat, J Hardoüin, B M Prat, J Ignés-Mullol, F Sagués
Published in: Journal of Physics: Condensed Matter, Issue 29/50, 2017, Page(s) 504003, ISSN 0953-8984
Publisher: Institute of Physics Publishing
DOI: 10.1088/1361-648x/aa99c8

Resolving protein mixtures using microfluidic diffusional sizing combined with synchrotron radiation circular dichroism

Author(s): Christian Bortolini, Tadas Kartanas, Davor Copic, Itzel Condado Morales, Yuewen Zhang, Pavan K. Challa, Quentin Peter, Tamás Jávorfi, Rohanah Hussain, Mingdong Dong, Giuliano Siligardi, Tuomas P. J. Knowles, Jérôme Charmet
Published in: Lab on a Chip, Issue 19/1, 2019, Page(s) 50-58, ISSN 1473-0197
Publisher: Royal Society of Chemistry
DOI: 10.1039/c8lc00757h

Experimental evidence of symmetry breaking of transition-path times

Author(s): J. Gladrow, M. Ribezzi-Crivellari, F. Ritort, U. F. Keyser
Published in: Nature Communications, Issue 10/1, 2019, Page(s) 55, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-018-07873-9

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