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List of works by Simonetta Fornarini

A Gas-Phase Study of the Ionic Alkylation of Benzocycloalkenes

scientific article published in 2000

A Systematic Account on Aromatic Hydroxylation by a Cytochrome P450 Model Compound I: A Low-Pressure Mass Spectrometry and Computational Study.

scientific article published on 11 October 2016

A comprehensive test set of epoxidation rate constants for iron(iv)-oxo porphyrin cation radical complexes.

scientific article published on 8 December 2014

A multi-methodological inquiry of the behavior of cisplatin-based Pt(IV) derivatives in the presence of bioreductants with a focus on the isolated encounter complexes

scientific article published on 15 April 2020

A neutralization-reionization and reactivity mass spectrometry study of the generation of neutral hydroxymethylene

scientific article published on 01 June 2011

An integrated approach to study novel properties of a MALDI matrix (4-maleicanhydridoproton sponge) for MS imaging analyses

scientific article published on 18 December 2018

Anion recognition by uranyl-salophen derivatives as probed by infrared multiple photon dissociation spectroscopy and ab initio modeling

scientific article

Applications of Infrared Multiple Photon Dissociation (IRMPD) to the Detection of Posttranslational Modifications

scientific article published on 06 December 2019

Back Cover: Effects of Aromatic Fluorine Substitution on Protonated Neurotransmitters: The Case of 2-Phenylethylamine (Chem. Eur. J. 24/2016)

scholarly article by Markus Schütz et al published 23 May 2016 in Chemistry—A European Journal

Benzylium versus Tropylium Ion Dichotomy: Vibrational Spectroscopy of Gaseous C8H9+ Ions

scientific article published on 04 April 2012

Binding of azole drugs to heme: A combined MS/MS and computational approach

Binding of gaseous Fe(III)-heme cation to model biological molecules: direct association and ligand transfer reactions

scientific article published in April 2005

Cation-π interactions in protonated phenylalkylamines

scientific article

Cation–π interactions in gaseous ω-phenylalkyloxonium ions

Cation−π Interactions in the Gas Phase Methylation of α,ω-Diphenylalkanes

Chemistry of protonated species in gaseous environments

Cisplatin Binding to Biological Ligands Revealed at the Encounter Complex Level by IR Action Spectroscopy.

scientific article published on 8 January 2016

Cisplatin Primary Complex with l-Histidine Target Revealed by IR Multiple Photon Dissociation (IRMPD) Spectroscopy.

scientific article

Communication: Infrared spectroscopy of protonated allyl-trimethylsilane: Evidence for the β-silyl effect

scientific article published in August 2013

Communication: Vibrational study of a benzyl carbanion: Deprotonated 2,4-dinitrotoluene

article

Complexation of halide ions to tyrosine: role of non-covalent interactions evidenced by IRMPD spectroscopy

scientific article published on 26 January 2018

Compound I of naked heme (iron protoporphyrin IX)

scientific article published on 26 September 2007

Correction to Interaction of Cisplatin with Adenine and Guanine: A Combined IRMPD, MS/MS, and Theoretical Study

scholarly article published in Journal of the American Chemical Society

Cyanide–Arene Meisenheimer Complex Generated in Electrospray Ionization Mass Spectrometry Using Acetonitrile as a Solvent

scientific article published on 18 August 2013

Cysteine radical cation: A distonic structure probed by gas phase IR spectroscopy

scientific article published on 25 June 2010

Determination of sulfonamide antibiotics by gas chromatography coupled with atomic emission detection

scientific article published on 01 March 1998

Direct Probe of NO Vibration in the Naked Ferric Heme Nitrosyl Complex

article

Discrimination of 4-hydroxyproline diastereomers by vibrational spectroscopy of the gaseous protonated species

scientific article

Effects of Aromatic Fluorine Substitution on Protonated Neurotransmitters: The Case of 2-Phenylethylamine.

scientific article published on 23 May 2016

Electrophilic Substitution of Gaseous Borazine

scientific article published in 1999

Elusive Intermediates in the Breakdown Reactivity Patterns of Prodrug Platinum(IV) Complexes

scientific article published on 12 April 2019

Elusive Sulfurous Acid: Gas-Phase Basicity and IR Signature of the Protonated Species

scientific article

Experimental and Computational Investigation of Salophen-Zn Gas Phase Complexes with Cations: A Source of Possible Interference in Anionic Recognition.

scientific article published on 30 August 2017

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

scientific article published on 26 January 2015

Fourier transform ion cyclotron resonance study of the gas-phase basicity of N-nitrosodimethylamine.

scientific article published in November 2004

Gas-Phase H/D Exchange between Arenium Ions and Selected Bases. The Site of Protonation of Simple Aromatics

scientific article published in 1998

Gas-Phase Ion Chemistry of Borazine, an Inorganic Analogue of Benzene

scientific article published in 1999

Gas-Phase Protonation of Benzocycloalkenes

Gas-phase dioxygen activation by binuclear manganese clusters

scientific article published in June 2002

Halide adducts of 1,3,5-trinitrobenzene: Vibrational signatures and role of anion–π interactions

Heme-peptide/protein ions and phosphorous ligands: search for site-specific addition reactions

scientific article published on 31 August 2006

Hydrolysis of cis- and transplatin: structure and reactivity of the aqua complexes in a solvent free environment

scholarly article in RSC Advances, vol. 7 no. 26, 2017

IR Signature of NO Binding to a Ferrous Heme Center

IR spectroscopic features of gaseous C7H7O+ ions: benzylium versus tropylium ion structures

scientific article

IR spectroscopy of gaseous fluorocarbon ions: The perfluoroethyl anion

IR spectroscopy of protonated toluene: Probing ring hydrogen shifts in gaseous arenium ions

IRMPD Spectra of Protonated Hydroxybenzaldehydes: Evidence of Torsional Barriers in Carboxonium Ions

scientific article published on 17 January 2020

IRMPD spectroscopy of protonated S-nitrosocaptopril, a biologically active, synthetic amino acid

scientific article

Infrared absorption features of gaseous isopropyl carbocations.

scientific article published in November 2004

Infrared fingerprint of protonated benzene in the gas phase

scientific article published in May 2003

Infrared spectroscopy of copper-resveratrol complexes: A joint experimental and theoretical study

scientific article published on 01 July 2012

Infrared spectroscopy of isolated nucleotides. 1. The cyclic 3′,5′-adenosine monophosphate anion

Infrared spectroscopy of nucleotides in the gas phase 2. The protonated cyclic 3′,5′-adenosine monophosphate

scholarly article in RSC Advances, vol. 3 no. 31, 2013

Infrared spectroscopy of protonated phenylsilane in the gas phase

scientific article published in March 2005

Insights into Cisplatin Binding to Uracil and Thiouracils from IRMPD Spectroscopy and Tandem Mass Spectrometry

scientific article published on 28 February 2020

Interaction of cisplatin with 5'-dGMP: a combined IRMPD and theoretical study

scientific article

Interaction of cisplatin with adenine and guanine: a combined IRMPD, MS/MS, and theoretical study

scientific article published on 18 January 2013

Intrinsic Properties of Nitric Oxide Binding to Ferrous and Ferric Hemes

Isomeric C5H11Si+ ions from the trimethylsilylation of acetylene: An experimental and theoretical study

Jahn–Teller Distortion of Hydrocarbon Cations Probed by Infrared Photodissociation Spectroscopy ⬇️

scientific article published on 05 June 2012

Kinetic control in the CID-induced elimination of H3PO4 from phosphorylated serine probed using IRMPD spectroscopy

scientific article published on 4 March 2014

Mechanistic views on aromatic substitution reactions by gaseous cations

scientific article published on 01 January 1996

Meisenheimer Complexes Positively Characterized as Stable Intermediates in the Gas Phase

scientific article published on 01 January 2007

Metabolic profiling of different wild and cultivated Allium species based on high-resolution mass spectrometry, high-performance liquid chromatography-photodiode array detector, and color analysis

scientific article published on 14 April 2020

Mid-IR spectroscopy and structural features of protonated carbonic acid in the gas phase.

scientific article published in February 2009

Molecular complexes of simple anions with electron-deficient arenes: spectroscopic evidence for two types of structural motifs for anion-arene interactions.

scientific article published in August 2009

N-nitrosation of N-acetyltryptophan probed by IR spectroscopy of the gaseous anion

Naked five-coordinate Fe(III)(NO) porphyrin complexes: vibrational and reactivity features.

scientific article published on 8 April 2011

Nitrosyl–heme and anion–arene complexes: structure, reactivity and spectroscopy

Oxygen-atom transfer by a naked manganese(V)-oxo-porphyrin complex reveals axial ligand effect

scientific article published on 01 August 2009

Photoionization mass spectrometry of ω-phenylalkylamines: Role of radical cation-π interaction

scientific article published on 01 April 2018

Pi-complex structure of gaseous benzene-NO cations assayed by IR multiple photon dissociation spectroscopy.

scientific article

Probing 'spin-forbidden' oxygen-atom transfer: gas-phase reactions of chromium-porphyrin complexes

scientific article

Probing bare high-valent transition oxo-metal complexes: an electrospray ionization Fourier transform ion cyclotron resonance study of reactive intermediates

scientific article published in January 2010

Probing the Compound I-like reactivity of a bare high-valent oxo iron porphyrin complex: the oxidation of tertiary amines

scientific article

Probing the cytochrome P450-like reactivity of high-valent oxo iron intermediates in the gas phase.

scientific article published in July 2005

Probing the exposure of the phosphate group in modified amino acids and peptides by ion-molecule reactions with triethoxyborane in Fourier transform ion cyclotron resonance mass spectrometry

scientific article published in May 2014

Protonated Heme

scientific article published on 01 January 2007

Protonated Sulfuric Acid: Vibrational Signatures of the Naked Ion in the Near- and Mid-IR

Protonation of heterocyclic aromatic molecules: IR signature of the protonation site of furan and pyrrole

Protonation sites of isolated fluorobenzene revealed by IR spectroscopy in the fingerprint range

scientific article

Radiolytic Silylation of Alkenes and Alkynes by Gaseous R3Si+Ions. Stereochemical Evidence for the β-Silyl Effect

article

S-nitrosation of cysteine as evidenced by IRMPD spectroscopy

Satureja montana L. Essential Oils: Chemical Profiles/Phytochemical Screening, Antimicrobial Activity and O/W NanoEmulsion Formulations

scientific article published on 19 December 2019

Satureja montana L. essential oil and its antimicrobial activity alone or in combination with gentamicin

scientific article published on 17 November 2018

Short-lived intermediates (encounter complexes) in cisplatin ligand exchange elucidated by infrared ion spectroscopy

Site-selectivity of protonation in gaseous toluene

scientific article

Tandem mass spectrometry of nitric oxide and hydrogen sulfide releasing aspirins: a hint into activity behavior

scientific article published on 20 April 2013

The deprotonation of benzyl alcohol radical cations: a mechanistic dichotomy in the gas phase as in solution

scientific article published in January 2002

The effect of fluorine substitution on chiral recognition: interplay of CH···π, OH···π and CH···F interactions in gas-phase complexes of 1-aryl-1-ethanol with butan-2-ol.

scientific article

Tyrosine nitration as evidenced by IRMPD spectroscopy

article published in 2011

Ultra-Fast-VUV Photoemission Study of UV Excited 2-Nitrophenol

scientific article published on 08 February 2019

Undervalued N3 Coordination Revealed in the Cisplatin Complex with 2'-Deoxyadenosine-5'-monophosphate by a Combined IRMPD and Theoretical Study

scientific article

Unravelling the intrinsic features of NO binding to iron(II)- and iron(III)-hemes

scientific article published on 6 August 2008

Vibrational Signatures of the Naked Aqua Complexes from Platinum(II) Anticancer Drugs

Vibrational signatures of S-nitrosoglutathione as gaseous, protonated species

scientific article published on 17 October 2014

Vibrational signatures of curcumin’s chelation in copper(II) complexes: An appraisal by IRMPD spectroscopy

scientific article published on 01 April 2019

What ion is generated when ionizing acetonitrile?

scientific article published on 01 May 2005

[Arene·Me3C+] non-covalent complexes in the gas-phase (trifluoro)methylation of tert-butyl-substituted diphenylalkanes

l-Cysteine Modified by S-Sulfation: Consequence on Fragmentation Processes Elucidated by Tandem Mass Spectrometry and Chemical Dynamics Simulations

scientific article published on 18 April 2019

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