Simonetta Fornarini

Pubblicazioni

Titolo Pubblicato in Anno
Experimental and computational Investigation of salophen-Zn gas phase complexes with cations: a source of possible interference in anionic recognition JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY 2017
Cisplatin and transplatin interaction with methionine: bonding motifs assayed by vibrational spectroscopy in the isolated ionic complexes PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2017
Undervalued N3 coordination revealed in the cisplatin complex with 2'-deoxyadenosine-5'-monophosphate by a combined IRMPD and theoretical study INORGANIC CHEMISTRY 2017
Vibrational signatures of gaseous Meisenheimer complexes bonded at carbon and nitrogen INTERNATIONAL JOURNAL OF MASS SPECTROMETRY 2017
Cisplatin binding to biological ligands revealed at the encounter complex level by IR action spectroscopy CHEMISTRY-A EUROPEAN JOURNAL 2016
IRMPD signature of protonated pantothenic acid, an ubiquitous nutrient CHEMICAL PHYSICS LETTERS 2016
Effects of aromatic fluorine substitution on protonated neurotransmitters: the case of 2-phenylethylamine CHEMISTRY-A EUROPEAN JOURNAL 2016
Amino-acids oxidation: a combined study of cysteine oxo forms by IRMPD spectroscopy and simulations CHEMISTRY-A EUROPEAN JOURNAL 2016
A systematic account on aromatic hydroxylation by a cytochrome P450 model compound I: a low-pressure mass spectrometry and computational study CHEMISTRY-A EUROPEAN JOURNAL 2016
A comprehensive test set of epoxidation rate constants for iron(IV)-oxo porphyrin cation radical complexes CHEMICAL SCIENCE 2015
Exploring the conformational variability in the heme b propionic acid side chains through the effect of a biological probe: a study of the isolated ions JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY 2015
Binding of azole drugs to heme: a combined MS/MS and computational approach POLYHEDRON 2015
Nitrosyl-heme and anion-arene complexes: structure, reactivity and spectroscopy PURE AND APPLIED CHEMISTRY 2015
Elusive sulfurous acid: Gas-phase basicity and IR signature of the protonated species THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS 2015
IR spectrum of the protonated neurotransmitter 2-phenylethylamine: dispersion and anharmonicity of the NH3+-π interaction PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2015
Interaction of cisplatin with 5′-dgmp: a combined irmpd and theoretical study INORGANIC CHEMISTRY 2015
Serine O-sulfation probed by IRMPD spectroscopy PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2015
A multi-methodological approach in the study of two different cultivations of Italian red sweet pepper var. “Cornetto di Pontecorvo”. V Workshop - Applicazioni della Risonanza Magnetica nella Scienza degli Alimenti - Atti del congresso 2015

ERC

  • PE4_2
  • PE4_12
  • PE5_9

KET

  • Life-science technologies & biotechnologies

Interessi di ricerca

Proprietà strutturali di complessi bioinorganici e loro relazione con i meccanismi di azione. I sistemi sono studiati a livello di molecola singola in condizioni che consentono di caratterizzare proprietà intrinseche, al netto di interazioni con l'ambiente. In queste condizioni si può verificare l'impatto dell'intorno nello specifico ambiente catalitico o biologico in cui le specie si trovano ad operare. Le tecniche usate si basano sulla spettrometria di massa tramite la quale si sviluppano anche nuovi metodi di analisi e caratterizzazione di specie elusive o transienti

Keywords

spettrometria di massa
chimica
metalloenzyme
determinazione strutturale

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