Force Fields in Redox Enzymatic Catalysis

Project Information

Fields4CAT

Grant agreement ID: 772391

DOI

10.3030/772391

EC signature date 28 June 2018

Start date 1 March 2019

End date 28 February 2026

Funded under

• EXCELLENT SCIENCE - European Research Council (ERC)

Total cost

€ 1 998 700,00

EU contribution

€ 1 998 700,00

Coordinated by

KING'S COLLEGE LONDON
United Kingdom

CORDIS provides links to public deliverables and publications of HORIZON projects.

Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Publications

Peer reviewed articles (16)

Mechanical Deformation and Electronic Structure of a Blue Copper Azurin in a Solid-State Junction

Author(s): Carlos Romero-Muñiz, María Ortega, J. G. Vilhena, Ismael Diéz-Pérez, Juan Carlos Cuevas, Rubén Pérez, Linda A. Zotti
Published in: Biomolecules, Issue 9, 2024, Page(s) 506, ISSN 2218-273X
Publisher: MDPI
DOI: 10.3390/biom9090506

Tuning Structure and Dynamics of Blue Copper Azurin Junctions via Single Amino-Acid Mutations

Author(s): Ortega, Vilhena, Zotti, Díez-Pérez, Cuevas, Pérez
Published in: Biomolecules, Issue 9/10, 2019, Page(s) 611, ISSN 2218-273X
Publisher: MDPI
DOI: 10.3390/biom9100611

Efficient Electron Hopping Transport through Azurin-Based Junctions

Author(s): Carlos Roldán-Piñero, Carlos Romero-Muñiz, Ismael Díez-Pérez, J. G. Vilhena, Rubén Pérez, Juan Carlos Cuevas, Linda A. Zotti
Published in: The Journal of Physical Chemistry Letters, Issue 14, 2023, Page(s) 11242-11249, ISSN 1948-7185
Publisher: American Chemical Society
DOI: 10.1021/acs.jpclett.3c02702

Electrochemically Gated Long‐Distance Charge Transport in Photosystem I

Author(s): Montse López‐Martínez, Manuel López‐Ortiz, Maria Elena Antinori, Emilie Wientjes, Alba Nin‐Hill, Carme Rovira, Roberta Croce, Ismael Díez‐Pérez, Pau Gorostiza
Published in: Angewandte Chemie International Edition, Issue 58/38, 2019, Page(s) 13280-13284, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.201904374

Room‐Temperature Spin‐Dependent Transport in Metalloporphyrin‐Based Supramolecular Wires

Author(s): Albert C. Aragonès, Alejandro Martín‐Rodríguez, Daniel Aravena, Giuseppe Palma, Wenjie Qian, Josep Puigmartí‐Luis, Núria Aliaga‐Alcalde, Arántzazu González‐Campo, Ismael Díez‐Pérez, Eliseo Ruiz
Published in: Angewandte Chemie, Issue 133, 2021, Page(s) in press, ISSN 0044-8249
Publisher: Wiley
DOI: 10.1002/ange.202110515

Can Electron Transport through a Blue-Copper Azurin Be Coherent? An Ab Initio Study

Author(s): Carlos Romero-Muñiz, María Ortega, J. G. Vilhena, Ismael Díez-Pérez, Rubén Pérez, Juan Carlos Cuevas, Linda A. Zotti
Published in: The Journal of Physical Chemistry C, Issue 125/3, 2021, Page(s) 1693-1702, ISSN 1932-7447
Publisher: American Chemical Society
DOI: 10.1021/acs.jpcc.0c09364

An Ideal Spin Filter: Long-Range, High-Spin Selectivity in Chiral Helicoidal 3-Dimensional Metal Organic Frameworks

Author(s): Uxua Huizi-Rayo, Junkal Gutierrez, Jose Manuel Seco, Vladimiro Mujica, Ismael Diez-Perez, Jesus M. Ugalde, Agnieszka Tercjak, Javier Cepeda, Eider San Sebastian
Published in: Nano Letters, Issue 20/12, 2020, Page(s) 8476-8482, ISSN 1530-6984
Publisher: American Chemical Society
DOI: 10.1021/acs.nanolett.0c02349

Molecular Graphene Nanoribbon Junctions

Author(s): Mauro Marongiu, Tracy Ha, Sara Gil-Guerrero, Kavita Garg, Marcos Mandado, Manuel Melle-Franco, Ismael Diez-Perez, Aurelio Mateo-Alonso
Published in: Journal of the American Chemical Society, Issue 146, 2024, Page(s) 3963-3973, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.3c11340

Shallow conductance decay along the <i>heme</i> array of a single tetraheme protein wire

Author(s): Kavita Garg, Zdenek Futera, Xiaojing Wu, Yongchan Jeong, Rachel Chiu, Varun Chittari Pisharam, Tracy Q. Ha, Albert C. Aragonès, Jessica H. van Wonderen, Julea N. Butt, Jochen Blumberger, Ismael Díez-Pérez
Published in: Chemical Science, Issue 15, 2024, Page(s) 12326-12335, ISSN 2041-6520
Publisher: Royal Society of Chemistry
DOI: 10.1039/d4sc01366b

Advances in single-molecule junctions as tools for chemical and biochemical analysis

Author(s): Essam M. Dief, Paul J. Low, Ismael Díez-Pérez & Nadim Darwish
Published in: Nature Chemistry, 2023, ISSN 1755-4330
Publisher: Nature Publishing Group
DOI: 10.1038/s41557-023-01178-1

Electrostatic catalysis of a click reaction in a microfluidic cell

Author(s): Semih Sevim, Roger Sanchis-Gual, Carlos Franco, Albert C. Aragonès, Nadim Darwish, Donghoon Kim, Rosaria Anna Picca, Bradley J. Nelson, Eliseo Ruiz, Salvador Pané, Ismael Díez-Pérez, Josep Puigmartí-Luis
Published in: Nature Communications, Issue 15, 2024, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-024-44716-2

Tuning Single‐Molecule Conductance in Metalloporphyrin‐Based Wires via Supramolecular Interactions

Author(s): Albert C. Aragonès, Alejandro Martín‐Rodríguez, Daniel Aravena, Josep Puigmartí‐Luis, David B. Amabilino, Núria Aliaga‐Alcalde, Arántzazu González‐Campo, Eliseo Ruiz, Ismael Díez‐Pérez
Published in: Angewandte Chemie International Edition, Issue 59/43, 2020, Page(s) 19193-19201, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202007237

A Chirality-Based Quantum Leap

Author(s): Clarice D. Aiello; John M. Abendroth; Muneer Abbas; Andrei Afanasev; Shivang Agarwal; Amartya S. Banerjee; David N. Beratan; Jason N. Belling; Bertrand Berche; Antia Botana; Justin R. Caram; Giuseppe Luca Celardo; Gianaurelio Cuniberti; Aitzol Garcia-Etxarri; Arezoo Dianat; Ismael Diez-Perez; Yuqi Guo; Rafael Gutierrez; Carmen Herrmann; Joshua Hihath; Suneet Kale; Philip Kurian; Ying-Cheng Lai; Ti
Published in: ACS Nano, Issue 11, 2022, ISSN 1936-0851
Publisher: American Chemical Society
DOI: 10.1021/acsnano.1c01347

Tuning Single-Molecule Conductance by Controlled Electric Field-Induced trans-to-cis Isomerisation

Author(s): C.S. Quintans, Denis Andrienko, Katrin F. Domke, Daniel Aravena, Sangho Koo, Ismael Díez-Pérez, Albert C. Aragonès
Published in: Applied Sciences, Issue 11/8, 2021, Page(s) 3317, ISSN 2076-3417
Publisher: MDPI
DOI: 10.3390/app11083317

Magnetoresistive Single‐Molecule Junctions: the Role of the <i>Spinterface</i> and the <i>CISS</i> Effect

Author(s): Albert C. Aragonès; Daniel Aravena; Jesús M. Ugalde; Ernesto Medina; Rafael Gutierrez; Eliseo Ruiz; Vladimiro Mujica; Ismael Díez‐Pérez
Published in: Israel Journal of Chemistry, Issue 5, 2022, ISSN 0021-2148
Publisher: Laser Pages Publishing Ltd.
DOI: 10.1002/ijch.202200090

Charge transport at the protein–electrode interface in the emerging field of BioMolecular Electronics

Author(s): Tracy Q. Ha, Inco J. Planje, Jhanelle R.G. White, Albert C. Aragonès, Ismael Díez-Pérez
Published in: Current Opinion in Electrochemistry, Issue 28, 2021, Page(s) 100734, ISSN 2451-9103
Publisher: Elsevier
DOI: 10.1016/j.coelec.2021.100734

Book chapters (1)

CHAPTER 5. Principles of Molecular Devices Operated by Electric Fields

Author(s): N. Darwish, C. Foroutan-Nejad, L. Domulevicz, J. Hihath, I. Díez-Pérez
Published in: Effects of Electric Fields on Structure and Reactivity - New Horizons in Chemistry, 2021, Page(s) 147-194, ISBN 978-1-83916-169-8
Publisher: Royal Society of Chemistry
DOI: 10.1039/9781839163043-00147