1 Dr. Leonardo Lo Presti, PhD - Università degli Studi di Milano

Dr. Leonardo Lo Presti, PhD
(Aggiornato a gennaio 2016)
Data di nascita: 28 giugno 1976
Reseracher ID: K-4281-2012
ORCID: orcid.org/0000-0001-6361-477X
Numero di pubblicazioni indicizzate negli ultimi 5 anni: (2010–2015): 32
Numero totale di pubblicazioni indicizzate (2002-2015): 43
Capitoli di libri: 2
H–Index (Complessivo, WoS): 10
G–Index (Complessivo, WoS): 15
i-10 Index: (Complessivo, Google Scholar): 18
i-10 Index: (2010-2015, Google Scholar): 14
H5–Index (WoS): 8
Numero medio di citazioni per articolo (Complessivo, WoS): 7.45
Numero medio di citazioni per articolo (2010-2015, WoS): 6.53
Research Gate Score: 39.53 (> 95 % RG percentile)
Educazione
Da Settembre, 2007: Ricercatore universitario.
2003-2007 post-doc (UNIMI).
2000-2003 Dottorato di ricerca in Scienze Chimiche. Tesi: Electron density and
intermolecular interactions in organic crystals: methods and models.
2000: Laurea in chimica (110/110 cum laude, tutor: prof. R. Destro).
Affiliazioni
2007-oggi Associazione Italiana di Cristallografia
2011- oggi Istituto di Scienze e Tecnologie Molecolari, CNR
2013- oggi Center for Materials Crystallography, Aarhus University, Aarhus, DK
Servizi Accademici
2012- oggi: Commissione Paritetica
2011- oggi: Commissione Orientamento
2012-oggi: Commissione Strumentazione e Gas Tecnici
2010-2012: Commissione Dottorato
Impegni didattici
Laurea Magistrale in Scienze Chimiche: Cristallochimica (6 CFU).
Laurea Triennale in Chimica: Metodi Chimico-Fisici per lo studio di sistemi molecolari e
nanostrutturati (3 CFU).
Laurea Magistrale in Biotecnologie Molecolari e Bioinformatica, Corso di Metodi Chimici Avanzati
per le Biotecnologie (3 CFU).
Laurea Triennale in Chimica: Assistenza press il laboratorio di Chimica Fisica I deò secondo anno
(termodinamica)
Ricerca
La mia attività di ricerca riguarda l’investigazione in stato solidi di sostanze di inetresse
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farmacologico e materiali inorganici innovativi (ossidi magnetoresistenti, catalizzatori a
base TiO2). Sono inoltre interessato in transizioni di fase strutturali, cinetiche di reazione in
stato solido e polimorfismo. Applico soprattutto metodi di diffrazione di raggi X su cristallo
singolo e polveri in condizioni non ambientali 20 K < T < 300 K) e simulazioni quantistiche
in stato solido basate su combinazioni lineari di funzioni gaussiane centrate sugli atomi.
Sono associato all’Istituto di Scienze e Tecnologie Molecolari del CNR e collaboro col
Center for Materials Crystallography (CMC) di Århus(DK), che finanzia delle borse di
dottorato per studenti di cui sono il supervisore.
Servizio di revisione per:
National Science Foundation (USA), Chemistry – A European Journal, Journal of Physical
Chemistry, Inorganic Chemistry, Journal of Molecular Structure, Materials Chemistry, Acta
Crystallographica, Journal of American Ceramic Society, Powder Diffraction Journal,
International Journal of Modern Physics, Solar Energy Materials and Solar Cells.
Organizzazione di congress internazionali:
• SAGAMORE XVIII Conference on Charge, Spin and Momentum Densities, S.
Margherita di Pula (CA), Italy, 7-12, June 2015
• ECDM-5 European Charge Density Meeting, Gravedona (CO), Italy, 6-11, June
2008
Finanziamenti:
Fondi:
- “Development plan for Athenaeum, Line B (2014)”: Unveiling the mode of action of
haematin crystallization inhibitors: an experimental and theoretical approach towards new
antimalarial drugs. 6800 Euro
- La DNRF Danese, tramite il Center for Materials Crystallography (CMC) di Århus (DK)
(http://cmc.chem.au.dk/) e il CNR (Dr. C. Gatti), ha interamente finanziato 3 borse di
dottoratp presso Università degli Studi di Milano sotto la mia supervisione (vedi sotto).
- PUR 2008–2010, Università degli Studi di Milano
Tempo computazionale:
- ISCRA C grant 2015 MODELPIP (L. Lo Presti): Quantum modelling of the mode of
action of the antimalarial drug piperaquine
- ISCRA C grant 2014 (L. Lo Presti): Quantum mechanical modelling of quinoline
drugs
- LISA grant 2014 (M. Ceotto, L. Lo Presti, D. Tamascelli, G. Cappelletti, L. Falciola),
project SURGREEN: Quantum mechanical investigation of active TiO2-based
interfaces
- LISA grant 2013 (M. Ceotto, L. Lo Presti, D. Tamascelli, L. Falciola), project
MATGREEN: Progettazione di nuovi materiali per l'abbattimento di inquinanti
tramite metodi computazionali quantistici e semiclassici
Tempo per esperimenti di luce di sincrotrone / diffrazione di neutroni (1 shift = 8 ore):
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ILL, Grenoble (FR): Proposal 72853, Instrument: D19. Shifts granted 18 (September,
7–12 2015). Mapping complex hydrogen bonded networks in quinoline-based
antimalarial drugs.
ESRF, Grenoble (FR): Proposal 36126, CH-4370, Laboratorio BM26A. Shifts 9
(marzo, 5–8 2015). Unveiling interactions of 4-aminoquinoline antimalarials with
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haeme in solution.
ESRF, Grenoble (FR): Proposal 32044, MA-1979, Laboratorio BM01B. Shifts 9
(Febbraio, 26– marzo, 1 2014). Progress in the understanding of structural and
electronic properties of codoped N,Nb-TiO2 nanopowders as transparent conducting
oxides for optoelectronic applications
ELETTRA, Trieste (IT): Proposal 20130151, Laboratorio Materials Science. Shifts
15 (Ottobre, 7–12, 2013). Investigation of electronic features of TiO2:Nb,N
transparent conducting films by high-resolution and resonant photoelectron
spectroscopies.
ELETTRA, Trieste (IT): Proposal 20130115, Laboratorio Materials Science. Shifts
12 (Settembre, 16–20, 2013). Structural and electronic characterization of
chemisorbed species on TiO2 transparent films: a combined XPS and NEXAFS
study.
ESRF, Grenoble (FR): Proposal 30499, MA-1781, Laboratorio BM01B. Shifts 9
(Aprile, 24–29, 2013). Explaining the photocatalytic improvement of Ag-N codoped
bulky nano-TiO2 by in-situ XAFS and HRXRPD measurements
ESRF, Grenoble (FR): Proposal 24333, HE-3510, Laboratorio ID31. Shifts 18
(Gennaio, 26– Febbraio 1 2011 and February, 7–8 2011). Correlating the structural
and magnetic phase tphase diagram of GdBaCo2O5+δ as a function of T and delta by
means of high resolution X-ray powder diffraction.
ESRF, Grenoble (FR): Proposal 24599, 01-02-916, Laboratorio BM01A. Shifts 6
(Febbraio 5-8, 2011). Determination of Co electronic states by using exact structural
determinations.
ESRF, Grenoble (FR): Proposal 21986, HE-3241, Laboratorio ID31. Shifts 15
(Ottobre, 28–Novembre, 2 2009). Probing nanoscale structural inhomogeneities in
GdBaCo2O5+δ by means of the real space analysis of high resolution X-ray powder
diffraction
Studenti di dottorato
Finanziati dal Center for Materials Crystallography (CMC) di Århus
G. Macetti (ciclo XXXI)
G. Saleh (ciclo XXVI)
A. M. Orlando (ciclo XVIII)
Finanziati dall’Università degli Studi di Milano
S. Cenedese (ciclo XXIV)
Articoli su riviste scientifiche peer-reviewed:
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G. Macetti, S. Rizzato, F. Beghi, L. Silvestrini, L. Lo Presti*, “On the molecular basis of the
activity of the antimalarial drug chloroquine: EXAFS-assisted DFT evidence of a direct Fe-N
bond with free heme in solution”, Physica Scripta, 91(2), 023001, (2016). Contributo su invito
ad un numero speciale tematico dedicato alla conferenza “Sagamore XVIII” sulle Densità di
Carica, Spin e Momento (2015).
L. Rimoldi, C. Ambrosi, G. Di Liberto, L. Lo Presti*, M. Ceotto, C. Oliva, D. Meroni, S.
Cappelli, G. Cappelletti, G. Soliveri, S. Ardizzone, “Impregnation versus Bulk Synthesis: How
the Synthetic Route Affects the Photocatalytic Efficiency of Nb/Ta:N Codoped TiO2
Nanomaterials”, J. Phys. Chem. C, 119 (42), 24104–24115 (2015)
T. C. Eadsforth, A. Pinto, R. Luciani, L. Tamborini, G. Cullia, C. De Micheli, L. Marinelli, S.
Cosconati, E. Novellino, L. Lo Presti, A. Cordeiro da Silva, P. Conti, W. N. Hunter, M. P.
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Costi, “Characterization of 2,4-Diamino-6-oxo-1,6-dihydropyrimidin-5-yl Ureido Based
Inhibitors of Trypanosoma brucei FolD and Testing for Antiparasitic Activity”, J. Med. Chem.,
58 (20), 7938–7948 (2015)
A. Gavezzotti, L. Lo Presti*, “Theoretical study of chiral carboxylic acids. Structural and
energetic aspects of crystalline and liquid states”, Cryst. Growth Des., 15 (8), 3792–3803
(2015)
L. Tamborini, F. Mastronardi, F. Dall'Oglio, C. De Micheli, B. Nielsen, L. Lo Presti, P. Conti,
A. Pinto, “Synthesis of unusual isoxazoline containing β and γ-dipeptides as potential
glutamate receptor ligands”, Med. Chem. Commun., 6, 1260-1266 (2015)
C. Gatti*, A. M. Orlando, L. Lo Presti, “Insights on Spin Polarization through the Spin
Density Source Function”, Chem. Sci. 6, 3845-3852 (2015)
A. Ruffoni*, A. Contini, R. Soave, L. Lo Presti, I. Esposto, I. Maffucci, D. Nava, S.
Pellegrino, M. L. Gelmi, F. Clerici*, “Model peptides containing the 3-sulfanyl-norbornene
amino acid, a conformationally constrained cysteine analogue effective inducer of 310-helix
secondary structures”, RSC Adv. 5, 32643-32656 (2015)
F. Spadavecchia*, M. Ceotto, L. Lo Presti, C. Aieta, I. Biraghi, D. Meroni, S. Ardizzone, G.
Cappelletti, “Second Generation Nitrogen Doped Titania Nanoparticles: A Comprehensive
Electronic and Microstructural Picture”, Chin. J. Chem. 32, 1195–1213 (2015)
L. Lo Presti*, M. Sist, L. Loconte, A. Pinto, L. Tamborini, C. Gatti, “Rationalizing the
Lacking of Inversion Symmetry in a Noncentrosymmetric Polar Racemate: An Experimental
and Theoretical Study”, Crystal Growth & Design, 14, 5822–5833 (2014)
G. Saleh*, C. Gatti, L. Lo Presti, “Energetics of Non-Covalent Interactions from Electron and
Energy Density Distributions”, Comput. Theor. Chem., 1053, 53–59 (2014)
C. Marchiori, G. Di Liberto, G. Soliveri, L. Loconte, L. Lo Presti*, D. Meroni*, M. Ceotto, C.
Oliva, S. Cappelli, G. Cappelletti, C. Aieta, S. Ardizzone, “Unraveling the Cooperative
Mechanism of Visible-Light Absorption in Bulk N,Nb Codoped TiO2 Powders of
Nanomaterials”, J. Phys. Chem. C 118, 24152–24164 (2014)
L. Lo Presti*, A. M. Orlando, L. Loconte, R. Destro, E. Ortoleva, R. Soave, C. Gatti*, “Single
N–C Bond Becomes Shorter than a Formally Double N-C Bond in a Thiazete-1,1-dioxide
Crystal: An Experimental and Theoretical Study of Strong Crystal Field Effects”, Crystal
Growth & Design, 14, 4418–4429 (2014)
S. Pellegrino*, A. Contini, M. L. Gelmi, L. Lo Presti, R. Soave, E. Erba, “Asymmetric
Modular Synthesis of a Semirigid Dipeptide Mimetic by Cascade Cycloaddition/Ring
Rearrangement and Borohydride Reduction” J. Org. Chem. 79, 3094–3102 (2014)
L. Lo Presti*, M. Ceotto, F. Spadavecchia, G. Cappelletti, D. Meroni, R. G. Acres, S.
Ardizzone, “Role of the Nitrogen source in determinining structure and morphology of Ndoped nanocrystalline TiO2” J. Phys. Chem. C 118, 4797–4807 (2014)
M. Allieta*, M. Scavini, L. Lo Presti, M. Coduri, L. Loconte, S. Cappelli, C. Oliva, P. Ghigna,
P. Pattison, V. Scagnoli, “Charge ordering transition in GdBaCo2O5: evidence of reentrant
behaviour” Phys. Rev. B 88, 214104 (2013)
R. Ettari*, L. Tamborini, I. C. Angelo, S. Grasso, T. Schirmeister, L. Lo Presti, C. De Micheli,
A. Pinto, P. Conti “Development of Rhodesain inhibitors with a 3-Bromoisoxazoline warhead”,
ChemMedChem 8, 2070–2076 (2013)
G. Saleh*, L. Lo Presti, C. Gatti, D. Ceresoli, “NCImilano: an electron-density-based code for
the study of noncovalent interactions”, J. Appl. Cryst. 46, 1513–1517 (2013)
R. Destro*, E. Sartirana, L. Loconte, R. Soave, P.Colombo, C. Destro, L. Lo Presti,
“Competing C=O···C=O, C-H···O, Cl···O and Cl···Cl interactions governing the structural
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phase transition of 2,6-dichloro-p-benzoquinone at Tc = 122.6 K”, Crystal Growth and Design,
13, 4571–4582 (2013)
G. Saleh, R. Soave*, L. Lo Presti*, R. Destro, “Progress in the understanding of the key
pharmacophoric features of the antimalarial drug dihydroartemisinin: an experimental and
theoretical study”. Chem. Eur. J. 19, 3490-3503 (2013)
G. Saleh, C. Gatti*, L. Lo Presti* “Non-covalent interaction via the reduced density gradient:
Independent atom model vs experimental multipolar electron densities”, Computational and
Theoretical Chemistry 998, 148-163 (2012)
F. Spadavecchia*, G. Cappelletti, S. Ardizzone, M. Ceotto, M. S. Azzola, L. Lo Presti, G.
Cerrato, L. Falciona, “Role of Pr on the Semiconductor Properties of Nanotitania. An
Experimental and First-Pronciple Investigation”, J. Phys. Chem. C 116, 23083–23093 (2012)
G. Saleh, C. Gatti*, L. Lo Presti * and J. Contreras-García “Revealing non-covalent
interactions in molecular crystals through their experimental electron densities”, Chem. Eur. J.
18(48), 15523–15536, (2012)
L. Tamborini, A. Pinto, T. K. Smith, L. L. Major, M. C. Iannuzzi, S. Cosconati, L. Marinelli,
E. Novellino, L. Lo Presti, P. E. Wong, M. P. Barrett, C. De Micheli, P. Conti, “Synthesis and
Biological Evaluation of CTP Synthetase Inhibitors as Potential Agents for the Treatment of
African Trypanosomiasis” ChemMedChem 7, 1623–1634 (2012)
T. L. Nguyen, M. R. Cera, A. Pinto, L. Lo Presti, E. Hamel, P. Conti, R. Gussio, P. De Wulf
“Evading Pgp Activity in Drug-Resistant Cancer Cells: A Structural and Functional Study of
Antitubulin Furan Metotica Compounds”, Molecular Cancer Therapeutics 11, 1103-1111
(2012)
M. Ceotto*, L. Lo Presti*, G. Cappelletti, D. Meroni, F. Spadavecchia, R. Zecca, M. Leoni, P.
Scardi, C. L. Bianchi and S. Ardizzone, “About the Nitrogen Location in Nanocrystalline NDoped TiO2: Combined DFT and EXAFS Approach”, J. Phys. Chem. C, 116, 1764–1771
(2012)
L. Lo Presti*, M. Allieta, M. Scavini, P. Ghigna, L. Loconte, V. Scagnoli, M. Brunelli,
“Crystal structure and structural phase transitions in the GdBaCo2O5.0 cobaltite”, Phys. Rev. 84,
104107 (2011)
L. Lo Presti, A. Ellern, R. Destro, R. Soave, B. Lunelli, “Rationalizing the Effect of
Halogenation on the Molecular Structure of Simple Cyclobutene Derivatives by Topological
Real-Space Analysis of Their Electron Density” Phys. Chem. A 115, 12695-12707 (2011).
• E. Monza, C. Gatti*, L. Lo Presti*, E. Ortoleva, “Revealing Electron Delocalization through
the Source Function”, J. Phys. Chem. A, 115, 12864–12878 (2011).
• L. Tamborini*, A. Pinto, P. Conti, M. Gallanti, M. C. Iannuzzi, L. Lo Presti, C. De Micheli,
"Regioselective preparation of functionalized isoxazoline derivatives as key intermediates for
the synthesis of selective N-methyl-D-aspartate receptor antagonists", Synthesis, 8, 1255-1260
(2011)
• L. Beverina, A. Sanguineti, G. Battagliarin, R. Ruffo, D. Roberto, S. Righetto, R. Soave, L. Lo
Presti, R. Ugo and G. A. Pagani, “UV absorbing zwitterionic pyridinium–terazolate.
Exceptional transparency/optical nonlinearity tradeoff”. Chem. Commun., 47, 292–294 (2011).
• L. Lo Presti*, R. Soave, M. Longhi, E. Ortoleva, "Conformational polymorphism in a Schiffbase macrocyclic organic ligand: an experimental and theoretical study". Acta Cryst., B66,
527–453 (2010).
• C. Dallanoce, P. Magrone, C. Matera, L. Lo Presti, M. De Amici, L. Riganti, F. Clementi, C.
Gotti, C. De Micheli, "Synthesis of novel chiral ∆2-isoxazoline derivatives related to ABT-418
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and estimation of their affinity at neuronal nicotinic acetylcholine receptor subtypes". Eur. J.
Med. Chem., 45, 5594–5601 (2010)
A. M. Orlando, L. Lo Presti, *R. Soave, "A new monoclinic polymorph of 3-diethylamino-4(4-methoxyphenyl-1,1-dioxo-4H-1λ6,2-thiazete-4-carbonitrile". Acta Cryst., E66, o2032–o2033
(2010).
R. Destro*, E. Ortoleva, R. Soave, L. Loconte, L. Lo Presti, "Detection and kinetics of the
single-crystal to single-crystal complete transformation of a thiiranium ion into thietanium ion".
Phys. Chem. Chem. Phys., 11, 7181–7188 (2009).
L. Lo Presti*, C. Gatti "Using the Source Function descriptor to dampen the multipole bias in
charge density studies from X-ray structure factors refinements". Chem. Phys. Lett., 476, 308–
316 (2009).
L. Lo Presti*, A. Ellern, R. Destro, B. Lunelli "Effect of methoxy substituents and electronic
properties of fluorinated cyclobutenes: a study of hexafluorocyclobutene and its vinyl methoxy
derivatives by XRD and periodic DFT calculations". J. Phys. Chem. A, 113, 3186–3196 (2009).
L. Lo Presti*, R. Destro, “Experimental and theoretical charge density distribution of the
colossal magnetoresistive transition metal sulfide FeCr2S4” J. Chem. Phys. 128, 044710, (2008)
L. Lo Presti*, R. Soave, R. Destro. "On the interplay between CH···O and OH···O
interactions in determining crystal packing and molecular conformation: an experimental and
theoretical charge density study of the fungal secondary metabolite austdiol". J. Phys. Chem. B.
110, 6405–6414, (2006)
L. Lo Presti*, D. Invernizzi, R. Soave, R. Destro. “Looking for structural phase transitions in
the colossal magnetoresistive thiospinel FeCr2S4 by a multi-temperature single-crystal X-ray
diffraction study”. Chem. Phys. Lett. 416, 28–32 (2005).
R. Destro*, R. Soave, M. Barzaghi, L. Lo Presti "Progress in understanding of drug-receptor
interactions, Part 1: experimental charge-density study of an angiotensin II receptor antagonist
(C30H30N6O3S) at T = 17 K". Chem. Eur. J.. 11, 1–15, (2005)
R. Destro*, L. Loconte, L. Lo Presti, P. Roversi, R. Soave. "On the role of data quality in
experimental charge-density studies". Acta Cryst.. A60, 365–370, (2004)
L. Lo Presti*, R. Soave, R.Destro,. "The fungal metabolite austdiol". Acta Cryst.. C59, 199–
201, (2003)
F. Clerici*, M.L. Gelmi, R. Soave, L. Lo Presti "Isothiazoles. Part 13: Synthesis of sulfamic
esters, [1,2] thiazete S,S-dioxides, benzo[e][1,2]thiazine S,S-dioxides or triazoles by reaction of
isothiazole dioxides with sodium azide". Tetrahedron. 58, 5173–5178, (2002)
Capitoli di libri:
• C. Gatti, A. M. Orlando, E. Monza, L. Lo Presti, “Exploring Chemistry Through the Source
Function for the Electron and the Electron Spin Densities”, monografia su invito per il libro
“Applications of Topological Methods in Molecular Chemistry”, Editori: R. Chauvin, C.
Lepetit, B. Silvi, E. Alikhani, a nome di Springer Ed. (2016)
• R. Destro, R., L. Lo Presti, R. Soave, A. E. Goeta, "Multi-temperature charge density
studies", monografia su invito per il libro "Modern Charge Density Analysis", Editori: C. Gatti
e P. Macchi, a nome di Springer Ed. (2010).
Interventi a conferenze internazionali su invito:
C. Gatti, E. Monza, L. Lo Presti, G. Saleh “Revealing electron delocalization through the Source
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Function”, X-ray and Neutron Scattering for Solving Structures and Modelling Charge Densities:
the last 40 years. A colloquium in honour of Pierre J. Becker, Chateau de Sept Tours, Courcelles de
Touriane, France, September 16-17, (2011)
C. Gatti, G. Saleh, L. Lo Presti, E. Monza, “Making experiment and theory talking together:
electron delocalization effects and non covalent interactions detection via the Source Function and
the Reduced Density Gradient”, invited 30’ lecture in the session What do theoreticians expect from
experimentalists and viceversa, Sagamore meeting XVII on Charge Spin and Momentum Densities,
“Great Potentials from Advanced Probes”, page 42 Book of Abstracts,Daini Meisui Tei, Sapporo,
Hokkaido, Japan, 15-20 July, 2012.
C. Gatti, G. Saleh, L. Lo Presti, “Using X-ray Derived Charge Densities to detect electron
delocalization effects and Non-covalent Interactions” invited 20’ lecture at European Charge
Density Meeting VI, ECDM-6, page 36 Book of Abstracts, Strsbke pleso, Slovakia, September 1520, 2012.
Interventi a conferenze internazionali:
L. Lo Presti, G. Macetti, F. Beghi, S. Rizzato. “Unveiling interactions of the antimalarial drug
chloroquine with haeme in aqueous solutions through spectroscopic and quantum mechanical
methods”, SAGAMORE XVIII Conference on Charge, Spin and Momentum Densities, S.
Margherita di Pula (CA), Italy, 7-12, June 2015
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