Mass Spectrometry and Gas Phase Ion IR Spectroscopy (CHIM/03)

Attività di ricerca

Comprehension of the molecular recognition mechanisms by investigating the nature and strength of the non-covalent interactions stabilizing molecule-receptor systems. To this end, the main technique we apply is the Electrospray-InfraRed MultiPhoton Dissociation-Mass Spectrometry (ESI-IRMPD-MS), which combines the wide applicability of the ESI source, the m/z selectivity of the MS (Paul-type Ion Trap) and the structural resolving power of a tunable IR laser beam (OPO/A device). The unique diagnostic power of this layout allowed us to deal with both the assignment of the protonation site and the conformational freedom of multifunctional species as well as with the stereochemical investigation of noncovalent supramolecular complexes, including chiral species. In the gas-phase, typical of the MS measurements, the intrinsic features of the system investigated clearly emerges free from environmental effects (e.g. solvation, counterion, ionic strength, pH) difficult to probe in solution. This topic is relevant to different research and technology fields, as biochemistry, catalysis, separation sciences, sensors, chemical logic gates, etc.
A further field recently engaged our interest is the analysis of vegetable matrixes by Gas Chromatography-Mass Spectrometry (GC-MS), to identify and quantify volatile compounds present in the metabolic profile of plants having specific biological activity.

Collaborazioni nazionali e internazionali
  • Centre laser infrarouge d’Orsay (CLIO) - Université de Paris Sud (France)
  • prof. Ema Tadashi - Graduate School of Natural Science and Technology - Tsushima-naka, Okayama, 700-8530 - Japan
  • prof. Enrico Marcantoni - Università di Camerino (MC) - Italia
  • prof. Stefano Stranges – Università di Roma “La Sapienza” - Italia
Strumentazione
  • Electrospray-InfraRed MultiPhoton Dissociation-Mass Spectrometry (ESI-IRMPD-MS) apparatus
  • Gas Chromatography-Mass Spectrometry (GC-MS)
  • Electrospray-Linear Ion Trap (ESI-LIT) Mass Spectrometry
Settori ERC
  • PE4 - Physical and Analytical Chemical Sciences: Analytical chemistry, chemical theory, physical chemistry/chemical physics
  • PE5 - Materials and Synthesis: materials synthesis, structure-properties relations, functional and advanced materials, molecular architecture, organic chemistry
  • LS1 - Molecular biology, biochemistry, biophysics, structural biology, biochemistry of signal transduction
  • LS2 - Genetics, population genetics, molecular genetics, genomics, transcriptomics, proteomics, metabolomics, bioinformatics, computational biology, biostatistics, biological modelling and simulation, systems biology, genetic epidemiology
Finanziamenti
  • FFO Ateneo
Pubblicazioni

Publications 2015-2018:

1. Fraschetti, Caterina; Filippi, Antonello; Crestoni, Maria Elisa; Marcantoni, Enrico; Glucini, Marco; Guarcini, Laura; Montagna, Maria; Guidoni, Leonardo; Speranza, Maurizio
“Protonated Hexaazamacrocycles as Selective K+ Receptors”
Journal of the American Society for Mass Spectrometry (2015), 26(7), 1186-1190
DOI:10.1007/s13361-015-1104-3

2. Filippi, Antonello; Fraschetti, Caterina; Grandinetti, Felice; Speranza, Maurizio; Ponzi, Aurora; Decleva, Piero; Stranges, Stefano
“Electronic structure and conformational flexibility of D- cycloserine”
Phys. Chem. Chem. Phys., 2015, 17, 25845--25853
DOI:10.1039/C5CP01471A

3. Fraschetti, Caterina; Filippi, Antonello; Guarcini, Laura; Steinmetz, Vincent; Speranza, Maurizio
“Structure and Conformation of Protonated D- (+) - Biotin in the Unsolvated State”
Journal of Physical Chemistry B (2015), 119(20), 6198-6203
DOI:10.1021/acs.jpcb.5b02660

4. Caterina Fraschetti, Antonello Filippi, Maria Elisa Crestoni, Enrico Marcantoni,
Marco Glucini, Laura Guarcini, Maria Montagna, Leonardo Guidoni,
“Contact Ion Pairs on a Protonated Azamacrocycle: the Role of the Anion Basicity”
J Am Soc Mass Spectrom. 2016 Apr;27(4):615-21
DOI: 10.1007/s13361-015-1327-3

5. Caterina Fraschetti, Maurizio Speranza, Laura Guarcini, Graziella Roselli, and Antonello Filippi
“Boyer’s Reaction and Transetherification: Mechanism and New Perspectives”
CHIRALITY 28:269–275 (2016)
DOI: 10.1002/chir.22581

6. C. Fraschetti, M. Montagna, M. E. Crestoni, A. Calcaterra, F. Aiello, L. Santi and A. Filippi,
“Kinetic enantioselectivity of a protonated bis(diamido)-bridged basket resorcin[4]arene towards alanine peptides”
Org. Biomol. Chem., 2017, 15, 1183-1189
DOI: 10.1039/C6OB02734B

7. Antonello Filippi, Caterina Fraschetti, Laura Guarcini, Costantino Zazza, Tadashi Ema, and Maurizio Speranza
“Spectroscopic Discrimination of Diastereomeric Complexes Involving an Axially Chiral Receptor”
ChemPhysChem 2017, 18, 2475-2481
DOI : 10.1002/cphc.201700732

8. Antonello Filippi, Maria Elisa Crestoni, Caterina Fraschetti, Maria Montagna, Laura Guarcini, Enrico Marcantoni, Marco Glucini, Maurizio Speranza
“Reactivity of contact ion pairs in a charged monotopic receptor”
International Journal of Mass Spectrometry 418 (2017) 198-203

9. C. Fraschetti, L. Guarcini, C. Zazza, L. Mannina, S. Circi, S. Piccirillo, B. Chiavarino and A. Filippi
“Real time evolution of unprotected protonated galactosamine probed by IRMPD spectroscopy”
Phys. Chem. Chem. Phys., 2018,20, 8737-8743, DOI: 10.1039/C7CP07642H

© Università degli Studi di Roma "La Sapienza" - Piazzale Aldo Moro 5, 00185 Roma