PUBLICATIONS
62. M. Fortino, A. Mattoni, A. Pietropaolo.
J. Mater. Chem C 27, 2023, 11, 9135-9143.
61. M. Fortino, G. Schifino, D. Vitone, F. Arnesano, A. Pietropaolo.
The stepwise dissociation of the Zn(II)-bound Atox1 homodimer and its energetic asymmetry.
Inorganica Chimica Acta 550, 2023, 121452.
60. P. Wu, A. Pietropaolo, M. Fortino, M. Bando, K. Maeda, T. Nishimura, S. Shimoda, H. Sato, N. Naga, T. Nakano
Angew Chem Int. Edit. 2023,62,e202305747.
59. M. Fortino, G. Schifino, A. Pietropaolo.
Chirality 2023, 35, 673-680.
58. L. Russo, C. Giacomelli, M. Fortino, T. Marzo, G. Ferri, M. Calvello, A. Viegi, A. Magrì, A. Pratesi, A. Pietropaolo, F. Cardarelli, C. Martini, E. Rizzarelli, L. Marchetti, D. La Mendola, M. Trincavelli
ACS Chem Neurosci 23 3453-3463.
57. P. Wu, A. Pietropaolo, M. Fortino, S. Shimoda, K. Maeda, T. Nishimura, M. Bando, N. Naga, T. Nakano.
Non‐uniform Self‐folding of Helical Poly (fluorenevinylene) Derivatives in the Solid State Leading to Amplified Circular Dichroism and Circularly Polarized Light Emission Angew. Chem. Int. Edit. 2022 61, e202210556.
56. A. Pietropaolo, A. Mattoni, G. Pica, M. Fortino, G. Schifino, G. Grancini.
Rationalizing the design and implementation of chiral hybrid perovskites. Chem 2022, 8 1-23
55. Z. Song, H. Sato, A. Pietropaolo, Q. Wang, S. Shimoda, H. Dai, Y. Imai, H. Toda, T. Harada, Y. Shichibu, K. Konishi, M. Bando, N. Naga, T. Nakano. Aggregation-induced Chirality Amplification of Optically Active Fluorescent Polyurethane and Cyclic Dimer in the Ground and Excited States. Chem. Commun 2021.
54. M. Fortino, C. Cozza, M. Bonomi, A. Pietropaolo. Multi-replica biased sampling for photoswitchable π-conjugated polymers. J. Chem. Phys. 154, 174108.
53. D. La Mendola, G. Arena, A. Pietropaolo, C. Satriano, E. Rizzarelli. Metal ion coordination in peptide fragments of neurotrophins: A crucial step for understanding the role and signaling of these proteins in the brain. Coord. Chem. Rev. 2021, 435, 213790.
52. C. Cozza, F. M. Raymo, A. Pietropaolo. Shape factors in the binding of soft fluorescent nanoshuttles with target receptors. Mol. Sys. Des. Eng. 6, 281-285.
51. Z. Zhang, T. Harada, A. Pietropaolo, Y. Wang, Y. Wang, X. Hu, X. He, H. Chen, Z. Song, M. Bando, T. Nakano. Blue circularly polarized luminescent amorphous molecules with single-handed propeller chirality induced by circularly polarized light irradiation. Chem Commun. 2021 57, 1794-1797.
50. Y. Wang, N. Zavradashvili, Y. Wang, A. Pietropaolo, Z. Song, M. Bando, R. Katsarava, T. Nakano. Optically Active Polymers with Cationic Units Connected through Neutral Spacers: Helical Conformation and Chirality Transfer to External Molecules. Macromolecules 2020, 53, 22, 9916–9928.
49. A. Pietropaolo, T. Nakano. Learning how planarization can affect dichroic patterns in polyfluorenes. Chirality. 2020 32, 661-666.
48. T. Nakano, A. Pietropaolo, M. Kamata. Chirality analysis of helical polymers. Chemistry Teacher International 2020.
47. A. Magrì, G. Tabbì, G. Di Natale, D. La Mendola, A. Pietropaolo, M.A. Zoroddu, M. Peana, E. Rizzarelli. Zinc Interactions with a Soluble Mutated Rat Amylin to Mimic Whole Human Amylin: An Experimental and Simulation Approach to Understand Stoichiometry, Speciation and Coordination of the Metal Complexes. Chemistry. 2020 26, 13072-13084.
46. B. Patrizi, C. Cozza, A. Pietropaolo, P. Foggi, M. Siciliani de Cumis. Synergistic Approach of Ultrafast Spectroscopy and Molecular Simulations in the Characterization of Intramolecular Charge Transfer in Push-Pull Molecules. Molecules. 2020, 25, pii: E430.
45. A. Santoro, V. Lanza, F. Bellia, D. Sbardella, GR. Tundo, A. Cannizzo, G. Grasso, M. Arizzi, VG. Nicoletti, S. Alcaro, G. Costa, A. Pietropaolo, G. Malgieri, G. D’Abrosca, R. Fattorusso, S. García-Viñuales, IMM Ahmed, M. Coletta, D. Milardi. Pyrazolones Activate the Proteasome by Gating Mechanisms and Protect Neuronal Cells from β‐Amyloid Toxicity. ChemMedChem. 2020 15, 302-316.
44. A. Magrì, G. Tabbì, LM Cucci, C. Satriano, A. Pietropaolo, G. Malgieri, C. Isernia, D. La Mendola. The curious case of opossum prion: a physicochemical study on copper(ii) binding to the bis-decarepeat fragment from the protein N-terminal domain. Dalton Trans. 2019 48, 17533-17543.
43. M. Bonomi et al. PLUMED consortium. Promoting transparency and reproducibility in enhanced molecular simulations. Nature Methods. 2019 16, 670-673.
42. I. Naletova, C. Satriano, A. Pietropaolo, F. Gianì, G. Pandini, V. Triaca, G. Amadoro, V. Latina, P. Calissano, A. Travaglia, VG. Nicoletti, D. La Mendola, E. Rizzarelli. The Copper(II)-Assisted Connection between NGF and BDNF by Means of Nerve Growth Factor-Mimicking Short Peptides. Cells 2019 8, E301.
41. F. Bellia, V. Lanza, S. García-Viñuales, IMN Ahmed, A. Pietropaolo, C. Iacobucci, G. Malgieri, G. D’Abrosca, R. Fattorusso, VG. Nicoletti, D. Sbardella, GR. Tundo, M. Coletta, L. Pirone, E. Pedone, D. Calcagno, G. Grasso, D Milardi. Ubiquitin binds the amyloid β peptide and interferes with its clearance pathways. Chem. Sci. 2019 10:2732
40. C. Cozza, M. Bonomi, A. Pietropaolo. A Versatile Computational Strategy To Characterize the Free-Energy Landscape of Excited States in Oligofluorenes. J. Chem Theory Comput. 2018 14:5441–5445.
39. A. Pietropaolo, C. Cozza, Z. Zhang, T. Nakano. Temperature-dependent UV absorption of biphenyl based on intra-molecular rotation investigated within a combined experimental and TD-DFT approach. Liq. Cryst. 2018 45, 2048-2053.
38. A. Pietropaolo, A. Magrì, V. Greco, V. Losasso, D. La Mendola, S. Sciuto, P. Carloni, E. Rizzarelli. Binding of Zn(II) to Tropomyosin Receptor Kinase A in Complex with Its Cognate Nerve Growth Factor: Insights from Molecular Simulation and in Vitro Essays. ACS Chem Neurosci. 2018 16:1095-1103.
37. A. Magrì, A. Pietropaolo, G. Tabbì, D. La Mendola, E. Rizzarelli. From Peptide Fragments to Whole Protein: Copper(II) Load and Coordination Features of IAPP. Chem. Eur. J.2017 23:17898-17902.
36. A. Pietropaolo, S Tang, FM Raymo. Free-energy predictions and absorption spectra calculations for supramolecular nanocarriers and their photoactive cargo. Nanoscale, 2017 9:4989-4994.
35. V. Oliveri, A. Pietropaolo, C. Sgarlata, G. Vecchio. Zinc Complexes of Cyclodextrin-bearing 8-Hydroxyquinoline Ligands: a Comparative Study. Chem Asian J. 2017 12:110-115.
34. G. Pandini, C Satriano, A. Pietropaolo, F. Gianì, A Travaglia, D. La Mendola, VG. Nicoletti, E. Rizzarelli. The Inorganic Side of NGF: Copper(II) and Zinc(II) Affect the NGF Mimicking Signaling of the N-Terminus Peptides Encompassing the Recognition Domain of TrkA Receptor. Front. Neurosci. 2016 10:569.
33. I. Naletova, VG. Nicoletti, D. Milardi, A. Pietropaolo, G. Grasso. Copper, differently from zinc, affects the conformation, oligomerization state and activity of bradykinin. Metallomics, 2016 8:750-61.
32. V. Oliveri, F. Bellia, GI. Grasso, A. Pietropaolo, G. Vecchio. Trehalose-8-hydroxyquinoline conjugates as antioxidant modulators of Aß aggregation. RSC Advances 2016 6: 47229-47236.
31. A. Pietropaolo, CL. Pierri, F. Palmieri, M. Klingenberg. Dataset of the AAC2 conformations in the c-, intermediate- and m-states obtained from free-energy simulations. Data in Brief, 2016 7: 1355–1357. (* The coordinates in pdb format of the work of Ref. 30).
30. A. Pietropaolo, CL. Pierri, F. Palmieri, M. Klingenberg. The switching mechanism of the mitochondrial ADP/ATP carrier explored by free-energy landscapes. BBA-Bioenergetics 2016 1857:772-781.
29. W Heng, A. Pietropaolo, W. Wenbin, C. Chen-Yi, I. Hisaki, N. Toonai, M. Miata, T. Nakano. Right-handed 2/1 helical arrangement of benzene molecules in cholic acid crystal established by experimental and theoretical circular dichroism. RSC Advances 2015 5:101110-101114.
28. G. Grasso, V Lanza, G. Malgieri, R. Fattorusso, A. Pietropaolo, E. Rizzarelli, D. Milardi. The insulin degrading enzyme activates ubiquitin and promotes the formation of K48 and K63 diubiquitin. Chem Commun. 2015 51:15724-15727.
27. A. Pietropaolo, A. D’urso, R. Purrello, N. Berova. Effect of Different Z-Inducers on the Stabilization of Z Portion in BZ-DNA Sequence: Correlation Between Experimental and Simulation Data. Chirality. 2015 27:773-778.
26. A. Pietropaolo, C. Satriano, G. Strano, D. La Mendola, E. Rizzarelli. Different zinc(II) complex species and binding modes at Aβ N-terminus drive distinct long range cross-talks in the Aβ monomers. J. Inorg. Biochem. 2015 153:367-376.
25. V. Oliveri, F. Bellia, A. Pietropaolo, G. Vecchio. Unusual Cyclodextrin Derivatives as a New Avenue to Modulate Self- and Metal-Induced Aβ Aggregation. Chem. Eur. 2015 21:14047-14059.
24. A. Travaglia, A. Pietropaolo, R. Di Martino, VG. Nicoletti, D. La Mendola, P. Calissano, E. Rizzarelli. A small linear peptide encompassing the NGF N-terminus partly mimics the biological activities of the entire neurotrophin in PC12 cells. ACS Chem Neurosci 2015 6:1379-1392.
23. A. Pietropaolo, Y. Wang, T. Nakano. Predicting the switchable screw-sense in fluorene based polymers. Angew. Chem. Int. Ed. 2015 54:2688-2692.
22. G. Grasso, A. Magrì, F Bellia, A. Pietropaolo, D. La Mendola, E. Rizzarelli. The copper(II) and zinc(II) coordination mode of HExxH and HxxEH motif in small peptides: The role of carboxylate location and hydrogen bonding network. J. Inorg. Biochem. 2014 130C:92-102.
21. A. Travaglia, D. La Mendola, A. Magrì, A. Pietropaolo, VG. Nicoletti, G. Grasso, G. Malgieri, R. Fattorusso, C. Isernia, E. Rizzarelli. Zinc(II) Interactions with Brain-Derived Neurotrophic Factor N-Terminal Peptide Fragments: Inorganic Features and Biological Perspectives. Inorg Chem. 2013 52:11075-11083.
20. A. Pietropaolo, T. Nakano. Molecular mechanism of polyacrylate helix sense switching across its free-energy landscape. J. Am. Chem. Soc. 2013 135:5509–5512.
19. F. Bellia, A. Pietropaolo, G. Grasso. Formation of insulin fragments by insulin-degrading enzyme: the role of zinc(II) and cystine bridges J Mass Spectrom 2013 148:135-140.
18. A. Pietropaolo, P. Carloni. Molecular Simulations of the NGF Protein. Encyclopedia of Biophysics Springer-Verlag Berlin Heidelberg pp 1590-1593 2013.
17. A. Travaglia, D. La Mendola, A. Magrì, V Nicoletti, A. Pietropaolo, E. Rizzarelli. Copper, BDNF and its N-terminal domain: inorganic features and biological perspectives. Chem Eur J 2012 18:15618-15631.
16. G. Grasso, F. Salomone, GR. Tundo, G. Pappalardo, C. Ciaccio, G. Spoto, A. Pietropaolo, M. Coletta, E. Rizzarelli. Metal ions affect insulin-degrading enzyme activity. J. Inorg. Biochem 2012 117:351-358.
15. A. Pietropaolo. Exploring metal-driven stereoselectivity of glycopeptides by free energy calculations. Pure and Applied Chemistry 2012, 84: 1919-1930.
14. A. Travaglia, A. Pietropaolo, D. La Mendola, VG. Nicoletti, E. Rizzarelli. The inorganic perspectives of neurotrophins and Alzheimer’s disease. J. Inorg. Biochem 2012 111:130-137.
13. V. Losasso, A. Pietropaolo, C. Zannoni, S. Gustincich, P. Carloni. Structural Role of Compensatory Aminoacid Replacements in the Alpha-Synuclein Protein. Biochemistry 2011,50:6994-7001.
12. A. Pietropaolo, D. Branduardi, M. Bonomi, M. Parrinello. A chirality-based metrics for free-energy calculations in biomolecular systems. J. Comput. Chem., 2011 32:2627-2637.
11. GI. Grasso, G. Arena, F. Bellia, G. Maccarrone, M. Parrinello, A. Pietropaolo, G. Vecchio, E. Rizzarelli. Intramolecular Weak Interactions in the Thermodynamic Stereoselectivity of Copper(II) Complexes with Carnosine-trehalose Conjugates. Chem Eur J 2011 17:9448-9455.
10. A. Pietropaolo, M. Parrinello. A quantitative measure of chirality inside nucleic acid databank. Chirality 2011 23:534-542.
9. G. Grasso, A. Pietropaolo, G. Spoto, G. Pappalardo, GR. Tundo, C. Ciaccio, M. Coletta, E. Rizzarelli. Copper(I) and copper(II) inhibit Aβ peptides proteolysis by insulin-degrading enzyme differently: implications for metallostasis alteration in Alzheimer’s disease. Chem Eur J 2011 17:2752-2762.
8. A. Pietropaolo. Chirality in Biochemistry: A Computational Approach for Investigating Biomolecule Conformations. Where Chemistry Meets Life Wiley-VCH 2010, ISBN: 978-3-527-32541-2.
7. A. Pietropaolo, L. Muccioli, E. Rizzarelli, C. Zannoni. Conformational preferences of the full chicken prion protein in solution and its differences with respect to mammals. ChemPhysChem, Special Issue : Biophysics, 2009 10:1500-1510.
6. D. La Mendola, RP. Bonomo, S. Caminati, G. Di Natale, S. Emmi, Ö. Hansson, G. Maccarrone, G. Pappalardo, A. Pietropaolo, E. Rizzarelli. Copper(II) complexes with an avian prion N-terminal region and their potential SOD-like activity. J. Inorg. Biochem. 2009 103:195-204.
5. D. La Mendola, A. Pietropaolo, G. Pappalardo, C. Zannoni, E. Rizzarelli. Prion proteins leading to neurodegeneration. Curr. Alzheimer Res. 2008 5: 579-590.
4. A. Pietropaolo, L. Muccioli, C. Zannoni, D. La Mendola, G. Maccarone, G. Pappalardo, E. Rizzarelli. Unveiling the role of histidine and tyrosine residues on the conformation of the avian prion hexarepeat domain. J. Phys. Chem. B, 2008 112:5182 -5188.
3. A. Pietropaolo, L. Muccioli, .R Berardi, C. Zannoni. A chirality index for investigating protein secondary structures and their time evolution. PROTEINS: Structure, Function, and Bioinformatics 2008 70:667-677.
2. A. Pietropaolo, L. Raiola, L. Muccioli, G. Tiberio, C. Zannoni, R. Fattorusso, C. Isernia, D. La Mendola, G. Pappalardo, E. Rizzarelli. An NMR and Molecular Dynamics investigation of the avian prion hexarepeat conformational features in solution. Chem. Phys. Lett. 2007 442:110-118.
1. D. La Mendola, RP. Bonomo, G. Impellizzeri, G. Maccarrone, G. Pappalardo, A. Pietropaolo, E. Rizzarelli, V. Zito. Copper (II) complexes with chicken prion repeats. Influence of proline and tyrosine residues on the coordination feautures. J. Biol. Inorg. Chem 2005 10:463-475.
CONFERENCE PROCEEDINGS
A. Pietropaolo., T Nakano. Helical Polymer Switching Using Molecular Simulations. JPS Conf. Proc. 2014.