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Modeling approaches toward bioinspired dynamic materials

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Publications

Identifying and Tracking Defects in Dynamic Supramolecular Polymers

Author(s): Piero Gasparotto, Davide Bochicchio, Michele Ceriotti, Giovanni M. Pavan
Published in: The Journal of Physical Chemistry B, Issue 124/3, 2019, Page(s) 589-599, ISSN 1520-6106
DOI: 10.1021/acs.jpcb.9b11015

Solvent-Driven Supramolecular Wrapping of Self-Assembled Structures

Author(s): Moreno-Alcantar, G.; Aliprandi, A.; Rouquette, R.; Pesce, L.; Wurst, K.; Perego, C.; Bruggeller, P.; Pavan, G. M.; De Cola, L.
Published in: Angewandte Chemie / International edition, Issue 2, 2021, ISSN 1433-7851
DOI: 10.5445/ir/1000129569

Swarm-CG : Automatic Parametrization of Bonded Terms in MARTINI-Based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization

Author(s): Charly Empereur-Mot, Luca Pesce, Giovanni Doni, Davide Bochicchio, Riccardo Capelli, Claudio Perego, Giovanni M. Pavan
Published in: ACS Omega, Issue 5/50, 2020, Page(s) 32823-32843, ISSN 2470-1343
DOI: 10.1021/acsomega.0c05469

Cooperative Supramolecular Block Copolymerization for the Synthesis of Functional Axial Organic Heterostructures

Author(s): Aritra Sarkar, Tejmani Behera, Ranjan Sasmal, Riccardo Capelli, Charly Empereur-mot, Jaladhar Mahato, Sarit S. Agasti, Giovanni M. Pavan, Arindam Chowdhury, Subi J. George
Published in: Journal of the American Chemical Society, Issue 142/26, 2020, Page(s) 11528-11539, ISSN 0002-7863
DOI: 10.1021/jacs.0c04404

Biomimetic Synthesis of Sub-20 nm Covalent Organic Frameworks in Water

Author(s): Carlos Franco, David Rodríguez-San-Miguel, Alessandro Sorrenti, Semih Sevim, Ramon Pons, Ana E. Platero-Prats, Marko Pavlovic, Istvan Szilágyi, M. Luisa Ruiz Gonzalez, José M. González-Calbet, Davide Bochicchio, Luca Pesce, Giovanni M. Pavan, Inhar Imaz, Mary Cano-Sarabia, Daniel Maspoch, Salvador Pané, Andrew J. de Mello, Felix Zamora, Josep Puigmartí-Luis
Published in: Journal of the American Chemical Society, Issue 142/7, 2020, Page(s) 3540-3547, ISSN 0002-7863
DOI: 10.1021/jacs.9b12389

Multiscale Molecular Modelling of ATP‐Fueled Supramolecular Polymerisation and Depolymerisation**

Author(s): Claudio Perego, Luca Pesce, Riccardo Capelli, Subi J. George, Giovanni M. Pavan
Published in: ChemSystemsChem, Issue 3/2, 2021, ISSN 2570-4206
DOI: 10.1002/syst.202000038

Living supramolecular polymerization of fluorinated cyclohexanes

Author(s): Oleksandr Shyshov, Shyamkumar Vadakket Haridas, Luca Pesce, Haoyuan Qi, Andrea Gardin, Davide Bochicchio, Ute Kaiser, Giovanni M. Pavan, Max von Delius
Published in: Nature Communications, Issue 12/1, 2021, ISSN 2041-1723
DOI: 10.1038/s41467-021-23370-y

Solvent-driven chirality for luminescent self-assembled structures: experiments and theory

Author(s): Charles Lochenie, Alberto Insuasty, Tommaso Battisti, Luca Pesce, Andrea Gardin, Claudio Perego, Mike Dentinger, Di Wang, Giovanni M. Pavan, Alessandro Aliprandi, Luisa De Cola
Published in: Nanoscale, Issue 12/41, 2020, Page(s) 21359-21367, ISSN 2040-3364
DOI: 10.1039/d0nr04524a

Molecular Factors Controlling the Isomerization of Azobenzenes in the Cavity of a Flexible Coordination Cage

Author(s): Luca Pesce, Claudio Perego, Angela B. Grommet, Rafal Klajn, Giovanni M. Pavan
Published in: Journal of the American Chemical Society, Issue 142/21, 2020, Page(s) 9792-9802, ISSN 0002-7863
DOI: 10.1021/jacs.0c03444

Self-assembled poly-catenanes from supramolecular toroidal building blocks

Author(s): Sougata Datta, Yasuki Kato, Seiya Higashiharaguchi, Keisuke Aratsu, Atsushi Isobe, Takuho Saito, Deepak D. Prabhu, Yuichi Kitamoto, Martin J. Hollamby, Andrew J. Smith, Robert Dalgliesh, Najet Mahmoudi, Luca Pesce, Claudio Perego, Giovanni M. Pavan, Shiki Yagai
Published in: Nature, Issue 583/7816, 2020, Page(s) 400-405, ISSN 0028-0836
DOI: 10.1038/s41586-020-2445-z

Improving Fatigue Resistance of Dihydropyrene by Encapsulation within a Coordination Cage

Author(s): Martina Canton, Angela B. Grommet, Luca Pesce, Julius Gemen, Shiming Li, Yael Diskin-Posner, Alberto Credi, Giovanni M. Pavan, Joakim Andréasson, Rafal Klajn
Published in: Journal of the American Chemical Society, Issue 142/34, 2020, Page(s) 14557-14565, ISSN 0002-7863
DOI: 10.1021/jacs.0c06146

Exploring the Potential of Benzene-1,3,5-tricarboxamide Supramolecular Polymers as Biomaterials

Author(s): Silvia Varela-Aramburu, Giulia Morgese, Lu Su, Sandra M. C. Schoenmakers, Mattia Perrone, Luigi Leanza, Claudio Perego, Giovanni M. Pavan, Anja R. A. Palmans, E. W. Meijer
Published in: Biomacromolecules, Issue 21/10, 2020, Page(s) 4105-4115, ISSN 1525-7797
DOI: 10.1021/acs.biomac.0c00904

Discordant Supramolecular Fibres Reversibly Depolymerised by Temperature and Light

Author(s): Marieke Gerth, José Augusto Berrocal, Davide Bochicchio, Giovanni M. Pavan, Ilja K. Voets
Published in: Chemistry – A European Journal, Issue 27/5, 2021, Page(s) 1829-1838, ISSN 0947-6539
DOI: 10.1002/chem.202004115

Self-Sorted, Random, and Block Supramolecular Copolymers via Sequence Controlled, Multicomponent Self-Assembly

Author(s): Aritra Sarkar, Ranjan Sasmal, Charly Empereur-mot, Davide Bochicchio, Srinath V. K. Kompella, Kamna Sharma, Shikha Dhiman, Balasubramanian Sundaram, Sarit S. Agasti, Giovanni M. Pavan, Subi J. George
Published in: Journal of the American Chemical Society, Issue 142/16, 2020, Page(s) 7606-7617, ISSN 0002-7863
DOI: 10.1021/jacs.0c01822