Works by Sironi, Maurizio

Results: 35

Maytansinol Functionalization: Towards Useful Probes for Studying Microtubule Dynamics.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 5, p. 1, doi. 10.1002/chem.202203431

By:

Boiarska, Zlata;
Pérez‐Peña, Helena;
Abel, Anne‐Catherine;
Marzullo, Paola;
Álvarez‐Bernad, Beatriz;
Bonato, Francesca;
Santini, Benedetta;
Horvath, Dragos;
Lucena‐Agell, Daniel;
Vasile, Francesca;
Sironi, Maurizio;
Díaz, J. Fernando;
Prota, Andrea E.;
Pieraccini, Stefano;
Passarella, Daniele

Publication type:

Article

Maytansinol Functionalization: Towards Useful Probes for Studying Microtubule Dynamics.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 5, p. 1, doi. 10.1002/chem.202203431

By:

Boiarska, Zlata;
Pérez‐Peña, Helena;
Abel, Anne‐Catherine;
Marzullo, Paola;
Álvarez‐Bernad, Beatriz;
Bonato, Francesca;
Santini, Benedetta;
Horvath, Dragos;
Lucena‐Agell, Daniel;
Vasile, Francesca;
Sironi, Maurizio;
Díaz, J. Fernando;
Prota, Andrea E.;
Pieraccini, Stefano;
Passarella, Daniele

Publication type:

Article

Front Cover: Maytansinol Functionalization: Towards Useful Probes for Studying Microtubule Dynamics (Chem. Eur. J. 5/2023).

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 5, p. 1, doi. 10.1002/chem.202300067

By:

Boiarska, Zlata;
Pérez‐Peña, Helena;
Abel, Anne‐Catherine;
Marzullo, Paola;
Álvarez‐Bernad, Beatriz;
Bonato, Francesca;
Santini, Benedetta;
Horvath, Dragos;
Lucena‐Agell, Daniel;
Vasile, Francesca;
Sironi, Maurizio;
Díaz, J. Fernando;
Prota, Andrea E.;
Pieraccini, Stefano;
Passarella, Daniele

Publication type:

Article

Maytansinol Functionalization: Towards Useful Probes for Studying Microtubule Dynamics.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 5, p. 1, doi. 10.1002/chem.202203431

By:

Boiarska, Zlata;
Pérez‐Peña, Helena;
Abel, Anne‐Catherine;
Marzullo, Paola;
Álvarez‐Bernad, Beatriz;
Bonato, Francesca;
Santini, Benedetta;
Horvath, Dragos;
Lucena‐Agell, Daniel;
Vasile, Francesca;
Sironi, Maurizio;
Díaz, J. Fernando;
Prota, Andrea E.;
Pieraccini, Stefano;
Passarella, Daniele

Publication type:

Article

A valence bond description of the bromine halogen bond.

Published in:

International Journal of Quantum Chemistry, 2019, v. 119, n. 15, p. N.PAG, doi. 10.1002/qua.25946

By:

Franchini, Davide;
Genoni, Alessandro;
Dapiaggi, Federico;
Pieraccini, Stefano;
Sironi, Maurizio

Publication type:

Article

Resonance Raman and Visible Micro-Spectroscopy for the In-Vivo and In-Vitro Characterization of Anthocyanin-Based Pigments in Blue and Violet Flowers: A Comparison with HPLC-ESI- MS Analysis of the Extracts.

Published in:

Molecules, 2023, v. 28, n. 4, p. 1709, doi. 10.3390/molecules28041709

By:

Bruni, Silvia;
Longoni, Margherita;
Minzoni, Camilla;
Basili, Martina;
Zocca, Ilaria;
Pieraccini, Stefano;
Sironi, Maurizio

Publication type:

Article

Exploring Orthogonality between Halogen and Hydrogen Bonding Involving Benzene.

Published in:

Molecules, 2021, v. 26, n. 23, p. 7126, doi. 10.3390/molecules26237126

By:

Forni, Alessandra;
Russo, Rosario;
Rapeti, Giacomo;
Pieraccini, Stefano;
Sironi, Maurizio

Publication type:

Article

Synthesis of Pironetin-Dumetorine Hybrids as Tubulin Binders.

Published in:

European Journal of Organic Chemistry, 2016, v. 2016, n. 11, p. 2029, doi. 10.1002/ejoc.201600130

By:

Marucci, Cristina;
Christodoulou, Michael S.;
Pieraccini, Stefano;
Sironi, Maurizio;
Dapiaggi, Federico;
Cartelli, Daniele;
Calogero, Alessandra M.;
Cappelletti, Graziella;
Vilanova, Concepción;
Gazzola, Silvia;
Broggini, Gianluigi;
Passarella, Daniele

Publication type:

Article

Halogen-Bonding Interactions with π Systems: CCSD(T), MP2, and DFT Calculations.

Published in:

ChemPhysChem, 2012, v. 13, n. 18, p. 4224, doi. 10.1002/cphc.201200605

By:

Forni, Alessandra;
Pieraccini, Stefano;
Rendine, Stefano;
Gabas, Fabio;
Sironi, Maurizio

Publication type:

Article

The Origin of the σ‐Hole in Halogen Atoms: a Valence Bond Perspective.

Published in:

ChemistryOpen, 2020, v. 9, n. 4, p. 445, doi. 10.1002/open.202000062

By:

Franchini, Davide;
Forni, Alessandra;
Genoni, Alessandro;
Pieraccini, Stefano;
Gandini, Enrico;
Sironi, Maurizio

Publication type:

Article

Front Cover: Stereodivergent Diversity‐Oriented Synthesis: Exploiting the Versatility of 2‐Piperidine Ethanol (Eur. J. Org. Chem. 25/2019).

Published in:

European Journal of Organic Chemistry, 2019, v. 2019, n. 25, p. 3987, doi. 10.1002/ejoc.201900906

By:

Bonandi, Elisa;
Marzullo, Paola;
Foschi, Francesca;
Perdicchia, Dario;
Presti, Leonardo Lo;
Sironi, Maurizio;
Pieraccini, Stefano;
Gambacorta, Guido;
Saupe, Joern;
Dalla Via, Lisa;
Passarella, Daniele

Publication type:

Article

Stereodivergent Diversity‐Oriented Synthesis: Exploiting the Versatility of 2‐Piperidine Ethanol.

Published in:

European Journal of Organic Chemistry, 2019, v. 2019, n. 25, p. 4013, doi. 10.1002/ejoc.201900461

By:

Bonandi, Elisa;
Marzullo, Paola;
Foschi, Francesca;
Perdicchia, Dario;
Presti, Leonardo Lo;
Sironi, Maurizio;
Pieraccini, Stefano;
Gambacorta, Guido;
Saupe, Joern;
Dalla Via, Lisa;
Passarella, Daniele

Publication type:

Article

Camptothecin-7-yl-methanthiole: Semisynthesis and Biological Evaluation.

Published in:

ChemMedChem, 2012, v. 7, n. 12, p. 2134, doi. 10.1002/cmdc.201200322

By:

Christodoulou, Michael S.;
Zunino, Franco;
Zuco, Valentina;
Borrelli, Stella;
Comi, Daniela;
Fontana, Gabriele;
Martinelli, Marisa;
Lorens, James B.;
Evensen, Lasse;
Sironi, Maurizio;
Pieraccini, Stefano;
Dalla Via, Lisa;
Gia, Ornella Maria;
Passarella, Daniele

Publication type:

Article

Extremely localized molecular orbitals: theory and applications.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 117, n. 5/6, p. 685, doi. 10.1007/s00214-006-0200-7

By:

Sironi, Maurizio;
Genoni, Alessandro;
Civera, Monica;
Pieraccini, Stefano;
Ghitti, Michela

Publication type:

Article

A novel approach to relax extremely localized molecular orbitals: the extremely localized molecular orbital-valence bond method.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2004, v. 112, n. 4, p. 254, doi. 10.1007/s00214-004-0585-0

By:

Genoni, Alessandro;
Sironi, Maurizio

Publication type:

Article

Determination of extremely localized molecular orbitals in the framework of density functional theory.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2004, v. 112, n. 4, p. 247, doi. 10.1007/s00214-004-0584-1

By:

Burresi, Emiliano;
Sironi, Maurizio

Publication type:

Article

Spin-coupled VB study of the di-cations of methane, ammonia and water.

Published in:

Molecular Physics, 1988, v. 65, n. 1, p. 251, doi. 10.1080/00268978800101001

By:

Sironi, Maurizio;
Cooper, David L.;
Gerratt, Joseph;
Raimondi, Mario

Publication type:

Article

Modern valence-bond description of the electronic structure of benzocyclobutadiene.

Published in:

International Journal of Quantum Chemistry, 1996, v. 60, n. 1, p. 545, doi. 10.1002/(SICI)1097-461X(1996)60:1<545::AID-QUA53>3.0.CO;2-6

By:

Karadakov, Peter B.;
Gerratt, Joseph;
Cooper, David L.;
Raimondi, Mario;
Sironi, Maurizio

Publication type:

Article

Halogen bonds with benzene: An assessment of DFT functionals.

Published in:

Journal of Computational Chemistry, 2014, v. 35, n. 5, p. 386, doi. 10.1002/jcc.23507

By:

Forni, Alessandra;
Pieraccini, Stefano;
Rendine, Stefano;
Sironi, Maurizio

Publication type:

Article

Molecular Similarity Perception Based on Machine-Learning Models.

Published in:

International Journal of Molecular Sciences, 2022, v. 23, n. 11, p. 6114, doi. 10.3390/ijms23116114

By:

Gandini, Enrico;
Marcou, Gilles;
Bonachera, Fanny;
Varnek, Alexandre;
Pieraccini, Stefano;
Sironi, Maurizio

Publication type:

Article

X‐ray constrained spin‐coupled technique: theoretical details and further assessment of the method.

Published in:

Acta Crystallographica. Section A, Foundations & Advances, 2019, v. 75, n. 6, p. 778, doi. 10.1107/S2053273319011021

By:

Genoni, Alessandro;
Macetti, Giovanni;
Franchini, Davide;
Pieraccini, Stefano;
Sironi, Maurizio

Publication type:

Article

Synthesis, Crystal Structure and Biological Activity of 2-Hydroxyethylammonium Salt of p-Aminobenzoic Acid.

Published in:

PLoS ONE, 2014, v. 9, n. 7, p. 1, doi. 10.1371/journal.pone.0101892

By:

Crisan, Manuela E.;
Bourosh, Paulina;
Maffei, Massimo E.;
Forni, Alessandra;
Pieraccini, Stefano;
Sironi, Maurizio;
Chumakov, Yurii M.

Publication type:

Article

On the suitability of strictly localized orbitals for hybrid QM/MM calculations.

Published in:

Journal of Computational Chemistry, 2006, v. 27, n. 4, p. 515, doi. 10.1002/jcc.20366

By:

Fornili, Arianna;
Moreau, Yohann;
Sironi, Maurizio;
Assfeld, Xavier

Publication type:

Article

Optimal virtual orbitals to relax wave functions built up with transferred extremely localized molecular orbitals.

Published in:

Journal of Computational Chemistry, 2005, v. 26, n. 8, p. 827, doi. 10.1002/jcc.20213

By:

Genoni, Alessandro;
Fornili, Arianna;
Sironi, Maurizio

Publication type:

Article

Cover Feature: Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders (Chem. Eur. J. 2/2022).

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 2, p. 1, doi. 10.1002/chem.202104474

By:

Marzullo, Paola;
Boiarska, Zlata;
Pérez‐Peña, Helena;
Abel, Anne‐Catherine;
Álvarez‐Bernad, Beatriz;
Lucena‐Agell, Daniel;
Vasile, Francesca;
Sironi, Maurizio;
Altmann, Karl‐Heinz;
Prota, Andrea E.;
Díaz, J. Fernando;
Pieraccini, Stefano;
Passarella, Daniele

Publication type:

Article

Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 2, p. 1, doi. 10.1002/chem.202103520

By:

Marzullo, Paola;
Boiarska, Zlata;
Pérez‐Peña, Helena;
Abel, Anne‐Catherine;
Álvarez‐Bernad, Beatriz;
Lucena‐Agell, Daniel;
Vasile, Francesca;
Sironi, Maurizio;
Altmann, Karl‐Heinz;
Prota, Andrea E.;
Díaz, J. Fernando;
Pieraccini, Stefano;
Passarella, Daniele

Publication type:

Article

X‐ray Constrained Spin‐Coupled Wavefunction: a New Tool to Extract Chemical Information from X‐ray Diffraction Data.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 58, p. 15507, doi. 10.1002/chem.201803988

By:

Genoni, Alessandro;
Franchini, Davide;
Pieraccini, Stefano;
Sironi, Maurizio

Publication type:

Article

On-resin multicomponent 1,3-dipolar cycloaddition of cyclopentanone–proline enamines and sulfonylazides as an efficient tool for the synthesis of amidino depsipeptide mimics.

Published in:

Amino Acids, 2020, v. 52, n. 1, p. 15, doi. 10.1007/s00726-019-02805-3

By:

Bucci, Raffaella;
Dapiaggi, Federico;
Macut, Helena;
Pieraccini, Stefano;
Sironi, Maurizio;
Gelmi, Maria Luisa;
Erba, Emanuela;
Pellegrino, Sara

Publication type:

Article

In silico design of tubulin-targeted antimitotic peptides.

Published in:

Nature Chemistry, 2009, v. 1, n. 8, p. 642, doi. 10.1038/nchem.401

By:

Pieraccini, Stefano;
Saladino, Giorgio;
Cappelletti, Graziella;
Cartelli, Daniele;
Francescato, Pierangelo;
Speranza, Giovanna;
Manitto, Paolo;
Sironi, Maurizio

Publication type:

Article

Conformational Studies on Two FtsZ Targeting Cyclic Peptides.

Published in:

International Journal of Peptide Research & Therapeutics, 2020, v. 26, n. 3, p. 1567, doi. 10.1007/s10989-019-09962-9

By:

Vidović, Nikolina;
Recca, Teresa;
Francescato, Pierangelo;
Rabuffetti, Marco;
Sironi, Maurizio;
Oliva, Francesco;
Pieraccini, Stefano;
Speranza, Giovanna

Publication type:

Article

Purine 5'‐Ribonucleotide‐l‐Glutamate Hybrids As Potential Tools To Investigate The Mechanism Of Umami Taste Reception.

Published in:

ChemistrySelect, 2022, v. 7, n. 45, p. 1, doi. 10.1002/slct.202204123

By:

Morelli, Carlo F.;
Pappalardo, Valeria;
Brockhoff, Anne;
Pieraccini, Stefano;
Sironi, Maurizio;
Sangiorgio, Sara;
Scarabattoli, Letizia;
Speranza, Giovanna;
Rabuffetti, Marco

Publication type:

Article

Interpreting the different emissive properties of cyclic triimidazole‐based CuI and AgI coordination polymers: a QTAIM and IQA study.

Published in:

Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 6, p. 865, doi. 10.1107/S2052520621009707

By:

Forni, Alessandra;
Cariati, Elena;
Carlucci, Lucia;
Lucenti, Elena;
Marinotto, Daniele;
Pieraccini, Stefano;
Sironi, Maurizio

Publication type:

Article

Synthesis of Thicolchicine‐Based Conjugates: Investigation towards Bivalent Tubulin/Microtubules Binders.

Published in:

ChemPlusChem, 2019, v. 84, n. 1, p. 98, doi. 10.1002/cplu.201800497

By:

Bonandi, Elisa;
Foschi, Francesca;
Marucci, Cristina;
Dapiaggi, Federico;
Sironi, Maurizio;
Pieraccini, Stefano;
Christodoulou, Michael S.;
de Asís Balaguer, Francisco;
Díaz, J. Fernando;
Zidar, Nace;
Passarella, Daniele

Publication type:

Article

9-Fluorenone-2-Carboxylic Acid as a Scaffold for Tubulin Interacting Compounds.

Published in:

ChemPlusChem, 2013, v. 78, n. 7, p. 663, doi. 10.1002/cplu.201300036

By:

Calogero, Francesco;
Borrelli, Stella;
Speciale, Gaetano;
Christodoulou, Michael S.;
Cartelli, Daniele;
Ballinari, Dario;
Sola, Francesco;
Albanese, Clara;
Ciavolella, Antonella;
Passarella, Daniele;
Cappelletti, Graziella;
Pieraccini, Stefano;
Sironi, Maurizio

Publication type:

Article

Molecular Dynamics Simulations of p97 Including Covalent, Allosteric and ATP-Competitive Inhibitors.

Published in:

Acta Chimica Slovenica, 2019, v. 66, n. 2, p. 395, doi. 10.17344/acsi.2018.4880

By:

Rendine, Stefano;
Orrenius, Christian;
Dapiaggi, Federico;
Pieraccini, Stefano;
Motto, Ilaria;
D'Alessio, Roberto;
Magnaghi, Paola;
Isacchi, Antonella;
Felder, Eduard;
Sironi, Maurizio

Publication type:

Article

Works by Sironi, Maurizio

Maytansinol Functionalization: Towards Useful Probes for Studying Microtubule Dynamics.

Maytansinol Functionalization: Towards Useful Probes for Studying Microtubule Dynamics.

Front Cover: Maytansinol Functionalization: Towards Useful Probes for Studying Microtubule Dynamics (Chem. Eur. J. 5/2023).

Maytansinol Functionalization: Towards Useful Probes for Studying Microtubule Dynamics.

A valence bond description of the bromine halogen bond.

Resonance Raman and Visible Micro-Spectroscopy for the In-Vivo and In-Vitro Characterization of Anthocyanin-Based Pigments in Blue and Violet Flowers: A Comparison with HPLC-ESI- MS Analysis of the Extracts.

Exploring Orthogonality between Halogen and Hydrogen Bonding Involving Benzene.

Synthesis of Pironetin-Dumetorine Hybrids as Tubulin Binders.

Halogen-Bonding Interactions with π Systems: CCSD(T), MP2, and DFT Calculations.

The Origin of the σ‐Hole in Halogen Atoms: a Valence Bond Perspective.

Front Cover: Stereodivergent Diversity‐Oriented Synthesis: Exploiting the Versatility of 2‐Piperidine Ethanol (Eur. J. Org. Chem. 25/2019).

Stereodivergent Diversity‐Oriented Synthesis: Exploiting the Versatility of 2‐Piperidine Ethanol.

Camptothecin-7-yl-methanthiole: Semisynthesis and Biological Evaluation.

Extremely localized molecular orbitals: theory and applications.

A novel approach to relax extremely localized molecular orbitals: the extremely localized molecular orbital-valence bond method.

Determination of extremely localized molecular orbitals in the framework of density functional theory.

Spin-coupled VB study of the di-cations of methane, ammonia and water.

Modern valence-bond description of the electronic structure of benzocyclobutadiene.

Halogen bonds with benzene: An assessment of DFT functionals.

Molecular Similarity Perception Based on Machine-Learning Models.

X‐ray constrained spin‐coupled technique: theoretical details and further assessment of the method.

Synthesis, Crystal Structure and Biological Activity of 2-Hydroxyethylammonium Salt of <i>p</i>-Aminobenzoic Acid.

On the suitability of strictly localized orbitals for hybrid QM/MM calculations.

Optimal virtual orbitals to relax wave functions built up with transferred extremely localized molecular orbitals.

Cover Feature: Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders (Chem. Eur. J. 2/2022).

Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders.

X‐ray Constrained Spin‐Coupled Wavefunction: a New Tool to Extract Chemical Information from X‐ray Diffraction Data.

On-resin multicomponent 1,3-dipolar cycloaddition of cyclopentanone–proline enamines and sulfonylazides as an efficient tool for the synthesis of amidino depsipeptide mimics.

In silico design of tubulin-targeted antimitotic peptides.

Conformational Studies on Two FtsZ Targeting Cyclic Peptides.

Purine 5'‐Ribonucleotide‐l‐Glutamate Hybrids As Potential Tools To Investigate The Mechanism Of Umami Taste Reception.

Interpreting the different emissive properties of cyclic triimidazole‐based Cu<sup>I</sup> and Ag<sup>I</sup> coordination polymers: a QTAIM and IQA study.

Synthesis of Thicolchicine‐Based Conjugates: Investigation towards Bivalent Tubulin/Microtubules Binders.

9-Fluorenone-2-Carboxylic Acid as a Scaffold for Tubulin Interacting Compounds.

Molecular Dynamics Simulations of p97 Including Covalent, Allosteric and ATP-Competitive Inhibitors.