Hydrophobic Gating in nanochannels: understanding single channel mechanisms for designing better nanoscale sensors

Project Information

HyGate

Grant agreement ID: 803213

DOI 10.3030/803213

Project closed

EC signature date 7 September 2018

Start date 1 February 2019

End date 31 January 2024

Funded under

• EXCELLENT SCIENCE - European Research Council (ERC)

Total cost € 1 496 250,00

EU contribution € 1 496 250,00

Coordinated by

UNIVERSITA DEGLI STUDI DI ROMA LA SAPIENZA
Italy

Publications

Peer reviewed articles (29)

Voltage controlled iontronic switches: a computational method to predict electrowetting in hydrophobically gated nanopores

Author(s): Paulo, Gonçalo; Gubbiotti, Alberto; Di Muccio, Giovanni; Giacomello, Alberto
Published in: International Journal of Smart and Nano Materials, Issue Volume 15, 2024 - Issue 1, 2024, Page(s) Pages 165-185, ISSN 1687-4129
Publisher: Taylor & Francis Online
DOI: 10.1080/19475411.2023.2300332

Wetting and recovery of nano-patterned surfaces beyond the classical picture

Author(s): Sara Marchio, Simone Meloni, Alberto Giacomello, Carlo Massimo Casciola
Published in: Nanoscale, Issue 11/44, 2019, Page(s) 21458-21470, ISSN 2040-3364
Publisher: Royal Society of Chemistry
DOI: 10.1039/c9nr05105h

Recovering superhydrophobicity in nanoscale and macroscale surface textures

Author(s): Alberto Giacomello, Lothar Schimmele, Siegfried Dietrich, Mykola Tasinkevych
Published in: Soft Matter, Issue 15/37, 2019, Page(s) 7462-7471, ISSN 1744-683X
Publisher: Royal Society of Chemistry
DOI: 10.1039/c9sm01049a

The impact of secondary channels on the wetting properties of interconnected hydrophobic nanopores

Author(s): Gonçalo Paulo, Alberto Gubbiotti, Yaroslav Grosu, Simone Meloni, Alberto Giacomello
Published in: Communications Physics, Issue 2023 Jan 27;6(1):21, 2023, ISSN 2399-3650
Publisher: Springer Nature
DOI: 10.1038/s42005-023-01140-0

Changes in Ion Selectivity Following the Asymmetrical Addition of Charge to the Selectivity Filter of Bacterial Sodium Channels

Author(s): Olena A. Fedorenko, Igor A. Khovanov, Stephen K. Roberts, Carlo Guardiani
Published in: Entropy, Issue 22/12, 2020, Page(s) 1390, ISSN 1099-4300
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/e22121390

Origin and control of ionic hydration patterns in nanopores

Author(s): Miraslau L. Barabash, William A. T. Gibby, Carlo Guardiani, Alex Smolyanitsky, Dmitry G. Luchinsky, Peter V. E. McClintock
Published in: Communications Materials, Issue 2/1, 2021, ISSN 2662-4443
Publisher: Nature
DOI: 10.1038/s43246-021-00162-x

Intrinsic and apparent slip at gas-enriched liquid–liquid interfaces: a molecular dynamics study

Author(s): Emanuele Telari, Antonio Tinti, Alberto Giacomello
Published in: Journal of Fluid Mechanics, Issue 2022 May;938:A35, 2022, ISSN 1469-7645
Publisher: Cambridge University Press
DOI: 10.1017/jfm.2022.162

Unveiling the gating mechanism of CRAC channel: a computational study

Author(s): Carlo Guardiani, Delia Sun and Alberto Giacomello
Published in: Frontiers in Molecular Bioscience, 2021, ISSN 2296-889X
Publisher: Frontiers Media SA
DOI: 10.3389/fmolb.2021.773388

Can One Predict a Drop Contact Angle

Author(s): Marion Silvestrini; Marion Silvestrini; Antonio Tinti; Alberto Giacomello; Carolina Brito
Published in: Advanced Meterials Interfaces, Issue 2021 Nov;8(21):2101005, 2021, ISSN 2196-7350
Publisher: Wiley Online Library
DOI: 10.1002/admi.202101005

Hydrophobically gated memristive nanopores for neuromorphic applications

Author(s): Gonçalo Paulo, Ke Sun, Giovanni di Muccio, Alberto Gubbiotti, Blasco Morozzo della Rocca, Jia Geng, Giovanni Maglia, Mauro Chinappi, Alberto Giacomello
Published in: Nature Communications, Issue Article number: 8390 (2023), 2023, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-023-44019-y

Mechanism of Water Intrusion into Flexible ZIF-8: Liquid Is Not Vapor

Author(s): Eder Amayuelas, Marco Tortora, Luis Bartolomé, Josh David Littlefair, Gonçalo Paulo, Andrea Le Donne, Benjamin Trump, Andrey Andreevich Yakovenko, Mirosław Chorążewski, Alberto Giacomello, Paweł Zajdel, Simone Meloni, Yaroslav Grosu
Published in: Nano Letters, Issue 2023, 23, 12, 5430–5436, 2023, ISSN 1520-5126
Publisher: American Chemical Society.
DOI: 10.1021/acs.nanolett.3c00235

Integrated Approach Including Docking, MD Simulations, and Network Analysis Highlights the Action Mechanism of the Cardiac hERG Activator RPR260243

Author(s): Flavio Costa, Riccardo Ocello, Carlo Guardiani, Alberto Giacomello, Matteo Masetti
Published in: Journal of Chemical Information and Modeling, Issue 2023 Jul 28;63(15):4888-99, 2023, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/acs.jcim.3c00596

Hierarchical macro-nanoporous metals for leakage-free high-thermal conductivity shape-stabilized phase change materials

Author(s): Yaroslav Grosu, Yanqi Zhao, Alberto Giacomello, Simone Meloni, Jean-Luc Dauvergne, Artem Nikulin, Elena Palomo, Yulong Ding, Abdessamad Faik
Published in: Applied Energy, Issue 269, 2020, Page(s) 115088, ISSN 0306-2619
Publisher: Pergamon Press Ltd.
DOI: 10.1016/j.apenergy.2020.115088

Molecular dynamics simulations suggest possible activation and deactivation pathways in the hERG channel

Author(s): Flavio Costa, Carlo Guardiani, and Alberto Giacomello
Published in: Nature - Communications Biology, Issue 2022 Feb 24;5(1):165, 2022, ISSN 2399-3642
Publisher: Springer Nature
DOI: 10.1038/s42003-022-03074-9

Bubble formation in nanopores: a matter of hydrophobicity, geometry, and size

Author(s): Alberto Giacomello, Roland Roth
Published in: Advances in Physics: X, Issue 5/1, 2020, Page(s) 1817780, ISSN 2374-6149
Publisher: Taylor and Francis Ltd.
DOI: 10.1080/23746149.2020.1817780

Gas-Induced Drying of Nanopores

Author(s): Gaia Camisasca, Antonio Tinti, Alberto Giacomello
Published in: The Journal of Physical Chemistry Letters, Issue 11/21, 2020, Page(s) 9171-9177, ISSN 1948-7185
Publisher: American Chemical Society
DOI: 10.1021/acs.jpclett.0c02600

Metastable elastocapillary systems with negative compressibility

Author(s): Caprini, Davide; Battista, Francesco; Zajdel, Pawel; Di Muccio, Giovanni; Guardiani, Carlo; Trump, Benjamin; Carter, Marcus; Yakovenko, Andrey A.; Amayuelas, Eder; Bartolomé, Luis; Meloni, Simone; Grosu, Yaroslav; Casciola, Carlo Massimo; Giacomello, Alberto
Published in: ArXiv.org, 2023, ISSN 2331-8422
Publisher: Cornell University
DOI: 10.48550/arxiv.2310.07580

Optimization of the wetting-drying characteristics of hydrophobic metal organic frameworks via crystallite size: The role of hydrogen bonding between intruded and bulk liquid

Author(s): Liam J.W. Johnson, Gonçalo Paulo, Luis Bartolomé, Eder Amayuelas, Alberto Gubbiotti, Diego Mirani, Andrea Le Donne, Gabriel A. López, Giulia Grancini, Paweł Zajdel, Simone Meloni, Alberto Giacomello, Yaroslav Grosu
Published in: Journal of Colloid and Interface Science Volume 645, September 2023, Pages 775-783, Issue Volume 645, September 2023, Pages 775-783, 2023, ISSN 1095-7103
Publisher: Elsevier Ltd
DOI: 10.1016/j.jcis.2023.04.059

Correlation, response and entropy approaches to allosteric behaviors: a critical comparison on the ubiquitin case

Author(s): F. Cecconi, G. Costantini, C. Guardiani, M. Baldovin, A. Vulpiani
Published in: Physical Biology, Issue Volume 20, Number 5, 2023 Jun 26, 2023, ISSN 1478-3967
Publisher: Institute of Physics Publishing
DOI: 10.1088/1478-3975/ace1c5

Classical nucleation of vapor between hydrophobic plates

Author(s): Antonio Tinti, Alberto Giacomello, Simone Meloni, Carlo Massimo Casciola
Published in: The Journal of Chemical Physics, Issue 2023 Apr 7;158(13), 2023, ISSN 1089-7690
Publisher: AIP Publishing
DOI: 10.1063/5.0140736

What keeps nanopores boiling

Author(s): Alberto Giacomello
Published in: The Journal of Chemical Physics, Issue Volume 159, Issue 11, 21 September 2023, 2023, ISSN 1089-7690
Publisher: AIP Publishing
DOI: 10.1063/5.0167530

Structure and dynamics of water confined in cylindrical nanopores with varying hydrophobicity

Author(s): Antonio Tinti, Gaia Camisasca, Alberto Giacomello
Published in: Philosophical Transactions of the Royal Society A, Issue 379/2208, 2021, Page(s) 20200403, ISSN 1471-2962
Publisher: Royal Society Publishing
DOI: 10.1098/rsta.2020.0403

Computational methods and theory for ion channel research

Author(s): C. Guardiani, F. Cecconi, L. Chiodo, G. Cottone, P. Malgaretti, L. Maragliano, M.L. Barabash, G.
Published in: Advances in Physics: X, Issue 022 Dec 31;7(1):2080587, 2022, ISSN 2374-6149
Publisher: Taylor & Francis Grou
DOI: 10.1080/23746149.2022.2080587

Electroosmosis in nanopores: computational methods and technological applications

Author(s): Alberto Gubbiotti, Matteo Baldelli, Giovanni Di Muccio, Paolo Malgaretti, Sophie Marbach, and Mauro Chinappi
Published in: Advances in Physics: X, Issue 2022 Dec 31;7(1):2036638, 2022, ISSN 2374-6149
Publisher: Taylor & Francis Group
DOI: 10.1080/23746149.2022.2036638

Exploring K v 1.2 Channel Inactivation Through MD Simulations and Network Analysis

Author(s): Flavio Costa, Carlo Guardiani, Alberto Giacomello
Published in: Frontiers in Molecular Biosciences, Issue 2021 Dec 20;8:784276, 2021, ISSN 2296-889X
Publisher: Frontiers Media SA
DOI: 10.3389/fmolb.2021.784276

Noncanonical electromechanical coupling paths in cardiac hERG potassium channel

Author(s): Carlos A. Z. Bassetto Jr, Flavio Costa, Carlo Guardiani, Francisco Bezanilla, Alberto Giacomello
Published in: Nature Communications, Issue 2023 Feb 27;14(1):1110, 2023, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-023-36730-7

The interplay among gas, liquid and solid interactions determines the stability of surface nanobubbles

Author(s): Marco Tortora, Simone Meloni, Beng Hau Tan, Alberto Giacomello, Claus-Dieter Ohl, Carlo Massimo Casciola
Published in: Nanoscale, Issue 12/44, 2020, Page(s) 22698-22709, ISSN 2040-3364
Publisher: Royal Society of Chemistry
DOI: 10.1039/d0nr05859a

Application of a Statistical and Linear Response Theory to Multi-Ion Na+ Conduction in NaChBac

Author(s): William A. T. Gibby, Olena A. Fedorenko, Carlo Guardiani, Miraslau L. Barabash, Thomas Mumby, Stephen K. Roberts, Dmitry G. Luchinsky, Peter V. E. McClintock
Published in: Entropy, Issue 23/2, 2021, Page(s) 249, ISSN 1099-4300
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/e23020249

An atomistically informed multiscale approach to the intrusion and extrusion of water in hydrophobic nanopores

Author(s): Gonçalo Paulo, Alberto Gubbiotti, Alberto Giacomello
Published in: Journal of Chemical Physics, Issue 2023 May 28;158(20), 2023, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0147647

Non-peer reviewed articles (1)

Grafting heterogeneities rule water intrusion and extrusion in nanopores

Author(s): Sonia Cambiaso, Fabio Rasera, Antonio Tinti, Davide Bochicchio, Yaroslav Grosu,,Giulia Rossi, Alberto Giacomello,
Published in: arXiv, Issue arXiv:2305.15250. 2023 May 24, 2023, ISSN 2331-8422
Publisher: Cornell University
DOI: 10.48550/arxiv.2305.15250