Publications

FULL LIST OF PUBLICATIONS

SELECTED PUBLICATIONS

• Mechanical Tightening of a Synthetic Molecular Knot.
  Calvaresi, M.; Duwez, A. S.; Leigh, D. A.; Sluysmans, D.; Song, Y.; Zerbetto, F.; Zhang, L. Chem 2023, 9 (1), 65–75.
• Advanced Photodynamic Therapy with an Engineered M13 Phage Targeting EGFR: Mitochondrial Localization and Autophagy Induction in Ovarian Cancer Cell Lines.
  Bortot, B.; Apollonio, M.; Baj, G.; Andolfi, L.; Zupin, L.; Crovella, S.; Di Giosia, M.; Cantelli, A.; Saporetti, R.; Ulfo, L.; Petrosino, A.; Di Lorenzo, G.; Romano, F.; Ricci, G.; Mongiat, M.; Danielli, A.; Calvaresi, M.; Biffi, S. Free Radic. Biol. Med. 2021.
• Incorporation of Molecular Nanoparticles Inside Proteins: The Trojan Horse Approach in Theranostics.
  Di Giosia, M.; Zerbetto, F.; Calvaresi, M. Accounts Mater. Res. 2021

• Green Fabrication of (6,5)Carbon Nanotube/Protein Transistor Endowed with Specific Recognition.
  Berto, M.; Di Giosia, M.; Giordani, M.; Sensi, M.; Valle, F.; Alessandrini, A.; Menozzi, C.; Cantelli, A.; Gazzadi, G. C.; Zerbetto, F.; Calvaresi, M.; Biscarini, F.; Bortolotti, C. A. Adv. Electron. Mater. 2021, 7 (5), 2001114.

• A Bio-Conjugated Fullerene as a Subcellular-Targeted and Multifaceted Phototheranostic Agent
  Di Giosia, M.; Soldà, A.; Seeger, M.; Cantelli, A.; Arnesano, F.; Nardella, M. I.; Mangini, V.; Valle, F.; Montalti, M.; Zerbetto, F.; Rapino, S.; Calvaresi, M.; Ntziachristos, V. Adv. Funct. Mater. 2021, 31 (20), 2101527.

• The route towards nanoparticle shape metrology
  Calvaresi, M. Nat. Nanotechnol. 2020, 15 (7).

• Concanavalin A-Rose Bengal bioconjugate for targeted Gram-negative antimicrobial photodynamic therapy
  Cantelli, A.; Piro, F.; Pecchini, P.; Di Giosia, M.; Danielli, A.; Calvaresi, M. J. Photochem. Photobiol. B Biol. 2020, 206, 111852.

• Inhibition of α-chymotrypsin by pristine single-wall carbon nanotubes: Clogging up the active site
  Di Giosia, M.; Marforio, T. D.; Cantelli, A.; Valle, F.; Zerbetto, F.; Su, Q.; Wang, H.; Calvaresi, M. J. Colloid Interface Sci. 2020, 571, 174
• Doxorubicin-Loaded Squid Pen Plaster: A Natural Drug Delivery System for Cancer Cells
  Magnabosco, G.; Ianiro, A.; Stefani, D.; Soldà, A.; Rapino, S.; Falini, G.; Calvaresi, M. ACS Appl. Bio Mater. 2020, 3 (3), 1514
• Oriented External Electric Fields Affect Rate and Stereoselectivity of Electrocyclic Reactions
  Mattioli, E. J.; Bottoni, A.; Zerbetto, F.; Calvaresi, M. J. Phys. Chem. C 2019, 123 (43), 26370
• High-throughput virtual screening to rationally design protein-Carbon nanotube interactions. Identification and preparation of stable water dispersions of protein - Carbon nanotube hybrids and efficient design of new functional materials
  Di Giosia, M.; Valle, F.; Cantelli, A.; Bottoni, A.; Zerbetto, F.; Fasoli, E.; Calvaresi, M. Carbon  2019, 147, 70-82
• CNT‐Catalyzed Oxidative Dehydrogenation of Ethylbenzene to Styrene: DFT Calculations Disclose the Pathways
  Marforio, T.D.; Bottoni, A.; Zerbetto, F.; Calvaresi, M. ChemNanoMat 2019, 5, 499–505
• DNAzymes at Work: A DFT Computational Investigation on the Mechanism of 9DB1
  Mattioli, E.; Bottoni, A.; Matteo Calvaresi; J. Chem. Inf. Model. 2019, 59 (4), 1547-1553

• A Stable and Biocompatible Monodispersion of C60 in Water by Peptides
  Di Giosia, M.; Nicolini, F.; Ferrazzano, L.; Soldà, A.; Valle, F.; Cantelli, A.; Marforio, T. D.; Bottoni, A.; Zerbetto, F.; Montalti, M.; Rapino, S.; Tolomelli, A.; Calvaresi, M. Bioconjug. Chem. 2019

• Controlling Size‐Dispersion of Single Walled Carbon Nanotubes by Interaction with Polyoxometalates Armed with a Tryptophan Tweezer
  Syrgiannis, Z.; Trautwein, G.; Calvaresi, M.; Modugno, G.; Zerbetto, F.; Carraro, M.; Prato, M.; Bonchio, M. Eur. J. Inorg. Chem. 2019, 2019 (3–4), 374.

• Effects of knot tightness at the molecular level
  Zhang, L.; Lemonnier, J.-F.; Acocella, A.; Calvaresi, M.; Zerbetto, F.; Leigh, D. A. Proc. Natl. Acad. Sci. U. S. A. 2019, 116 (7), 2452

• Proteins as supramolecular hosts for C 60: a true solution of C 60 in water
  Di Giosia, M.; Bomans, P. H. H.; Bottoni, A.; Cantelli, A.; Falini, G.; Franchi, P.; Guarracino, G.; Friedrich, H.; Lucarini, M.; Paolucci, F.; Rapino, S.; Sommerdijk, N. A. J. M.; Soldà, A.; Valle, F.; Zerbetto, F.; Calvaresi, M. Nanoscale 2018, 10 (21), 9908.
• Functionalization Pattern of Graphene Oxide Sheets Controls Entry or Produces Lipid Turmoil in Phospholipid Membranes
  Dallavalle, M.; Bottoni, A.; Calvaresi, M.; Zerbetto, F. ACS Appl. Mater. Interfaces 2018, 10 (18), 15487.

• Delivery systems for agriculture: Fe-EDDHSA/CaCO3 hybrid crystals as adjuvants for prevention of iron chlorosis
  Baldi, E.; Marino, G.; Toselli, M.; Marzadori, C.; Ciavatta, C.; Tavoni, M.; Di Giosia, M.; Calvaresi, M.; Falini, G.; Zerbetto, F. Chem. Commun. 2018, 54 (13).

• C60@ lysozyme: a new photosensitizing agent for photodynamic therapy
  Soldà, A.; Cantelli, A.; Di Giosia, M.; Montalti, M.; Zerbetto, F.; Rapino, S.; Calvaresi, M. J. Mater. Chem. B 2017, 1757, 525.

• Photoswitchable NIR‐Emitting Gold Nanoparticles
  Bonacchi, S.; Cantelli, A.; Battistelli, G.; Guidetti, G.; Calvaresi, M.; Manzi, J.; Gabrielli, L.; Ramadori, F.; Gambarin, A.; Mancin, F.; Montalti, M. Angew. Chemie Int. Ed. 2016, 55 (37), 11064.

• Bioinspired Nanocomposites: Ordered 2D Materials Within a 3D Lattice
  Di Giosia, M.; Polishchuk, I.; Weber, E.; Fermani, S.; Pasquini, L.; Pugno, N. M.; Zerbetto, F.; Montalti, M.; Calvaresi, M.; Falini, G.; Pokroy, B. Adv. Funct. Mater. 2016, 26 (30), 5569.

• Calcite Single Crystals as Hosts for Atomic-Scale Entrapment and Slow Release of Drugs
  Magnabosco, G.; Giosia, M. Di; Polishchuk, I.; Weber, E.; Fermani, S.; Bottoni, A.; Zerbetto, F.; Pelicci, P. G.; Pokroy, B.; Rapino, S.; Falini, G.; Calvaresi, M. Adv. Healthc. Mater. 2015, 4 (10), 1510.
• Thermodynamics of Binding Between Proteins and Carbon Nanoparticles: The Case of C60@Lysozyme
  Calvaresi, M.; Bottoni, A.; Zerbetto, F. J. Phys. Chem. C 2015, 119 (50), 28077
• Blocking the Passage: C60 Geometrically Clogs K+ Channels.
  Calvaresi, M.; Furini, S.; Domene, C.; Bottoni, A.; Zerbetto, F. ACS Nano 2015, 9 (5), 4827.
• Graphene Can Wreak Havoc with Cell Membranes.
  Dallavalle, M.; Calvaresi, M.; Bottoni, A.; Melle-Franco, M.; Zerbetto, F. ACS Appl. Mater. Interfaces 2015, 7 (7), 4406.

• C60@Lysozyme: Direct Observation by Nuclear Magnetic Resonance of a 1:1 Fullerene Protein Adduct.
  Calvaresi, M.; Arnesano, F.; Bonacchi, S.; Bottoni, A.; Calò, V.; Conte, S.; Falini, G.; Fermani, S.; Losacco, M.; Montalti, M.; Natile, G.; Prodi, L.; Sparla, F.; Zerbetto, F. ACS Nano 2014, 8 (2), 1871.

• The devil and holy water: protein and carbon nanotube hybrids.
  Calvaresi, M.; Zerbetto, F. Acc. Chem. Res. 2013, 46 (11), 2454.

• An Experimentally Observed Trimetallofullerene Sm3@Ih-C80: Encapsulation of Three Metal Atoms in a Cage without a Nonmetallic Mediator
  Xu, W.; Feng, L.; Calvaresi, M.; Liu, J.; Liu, Y.; Niu, B.; Shi, Z.; Lian, Y.; Zerbetto, F. J. Am. Chem. Soc. 2013, 135 (11), 4187.

• Temperature-dependent fluorescence of cu(5) metal clusters: a molecular thermometer
  Cauzzi, D.; Pattacini, R.; Delferro, M.; Dini, F.; Di Natale, C.; Paolesse, R.; Bonacchi, S.; Montalti, M.; Zaccheroni, N.; Calvaresi, M.; Zerbetto, F.; Prodi, L. Angew. Chemie Int. Ed. 2012, 51 (38), 9662.

• A Simple Road for the Transformation of Few-Layer Graphene into MWNTs.
  Quintana, M.; Grzelczak, M.; Spyrou, K.; Calvaresi, M.; Bals, S.; Kooi, B.; Van Tendeloo, G.; Rudolf, P.; Zerbetto, F.; Prato, M. J. Am. Chem. Soc. 2012, 134 (32), 13310

• Probing the Structure of Lysozyme-Carbon-Nanotube Hybrids with Molecular Dynamics
  Calvaresi, M.; Hoefinger, S.; Zerbetto, F. Chem.—Eur. J. 2012, 18, 4308.

• A Computational Analysis of the Insertion of Carbon Nanotubes into Cellular Membranes
  Höfinger, S.; Melle-Franco, M.; Gallo, T.; Cantelli, A.; Calvaresi, M.; Gomes, J. A. N. F.; Zerbetto, F. Biomaterials 2011, 32 (29), 7079.

• In Silico Carborane Docking to Proteins and Potential Drug Targets
  Calvaresi, M.; Zerbetto, F. J. Chem. Inf. Model. 2011, 51 (8), 1882.

• Fullerene Sorting Proteins.
  Calvaresi, M.; Zerbetto, F. Nanoscale 2011, 3 (7), 2873.

• Baiting Proteins with C60 
  Calvaresi, M.; Zerbetto, F. ACS Nano 2010, 4 (4), 2283.

• Wrapping Nanotubes with Micelles, Emimicelles, and Cylindrical Micelles.
  Calvaresi, M.; Dallavalle, M.; Zerbetto, F. Small 2009, 5 (19), 2191.