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Thomas Rizzo

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Related publications (100)

Page 4 of 5

High-Throughput Multiplexed Infrared Spectroscopy of Ion Mobility-Separated Species Using Hadamard Transform

Thomas Rizzo, Ahmed Ben Faleh, Stephan Warnke, Ali H Abikhodr, Vasyl Yatsyna

Coupling vibrational ion spectroscopy with highresolution ion mobility separation offers a promising approach for detailed analysis of biomolecules in the gas phase. Improvements in the ion mobility technology have made it possible to separate isomers with ...

AMER CHEMICAL SOC2022

New Approach for the Identification of Isobaric and Isomeric Metabolites

Thomas Rizzo, Ahmed Ben Faleh, Stephan Warnke, Ali H Abikhodr

The structural elucidation of metabolite molecules is important in many branches of the life sciences. However, the isomeric and isobaric complexity of metabolites makes their identification extremely challenging, and analytical standards are often require ...

2023

A direct measurement of the dissociation energy of water

Thomas Rizzo, Oleg Boyarkine, Pavlo Maksyutenko

We have performed a direct measurement of one of the most fundamental thermochemical values: the O-H bond energy in water. Using a triple-resonance laser excitation scheme, we excite the molecule through a series of vibrational overtone transitions to acce ...

2006

Spectroscopic probes of cold, gas-phase biomolecular ions: From amino acids to helical peptides

Thomas Rizzo, Oleg Boyarkine

2008

Identification of N-glycan positional isomers by combining IMS and vibrational fingerprinting of structurally determinant CID fragments

Thomas Rizzo, Ahmed Ben Faleh, Stephan Warnke, Priyanka Bansal

While glycans are present on the surface of cells in all living organisms and play key roles in most biological processes, their isomeric complexity makes their structural characterization challenging. Of particular importance are positional isomers, for w ...

ROYAL SOC CHEMISTRY2022

Spectroscopic studies of kinetically trapped conformations in the gas phase: the case of triply protonated bradykinin

Thomas Rizzo, Liudmila Voronina

Understanding the relation between the gas-phase structure of biological molecules and their solution-phase structure is important when attempting to use gas-phase techniques to address biologically relevant questions. Directly after electrospray ionizatio ...

Royal Soc Chemistry2015

How General Is Anomeric Retention during Collision-Induced Dissociation of Glycans?

Thomas Rizzo, Ahmed Ben Faleh, Stephan Warnke, Eduardo Carrascosa Casado, Robert Paul Pellegrinelli, Lei Yue

: Despite the essential role that glycans play in many biological processes, their isomeric com-plexity makes their structural determination partic-ularly challenging. Tandem mass spectrometry has played a central role in glycan analysis, and recent work h ...

2020

Isotopically selective collisional vibrational energy transfer in CF3H

Thomas Rizzo, Oleg Boyarkine

We investigate here the mechanism of collisionally-enhanced isotopic selectivity observed in infrared multiple photon dissociation (IRMPD) of vibrationally pre-excited CF3H by Boyarkin et al. (J. Chem. Phys. 118, 93 (2003)). For both the carbon-12 and carb ...

2007

Structure and Interactions in 1:2 K+–Crown Ether Complexes via Gas-Phase Cold UV and IR Spectroscopy

Thomas Rizzo

We obtained gas-phase UV and IR spectra of 1:2 potassium ion-crown ether (CE) complexes (benzo-15-crown-5 (B15C5), benzo-18-crown-6 (B18C6), dibenzo-18-crown-6 (DB18C6), and 18-crown-6 (18C6)) at approximately 10 K and determined the structure and intermol ...

American Chemical Society (ACS)2025

A method and system to build an ir fingerprint database for the structural identification of biomolecules

Thomas Rizzo, Ahmed Ben Faleh, Stephan Warnke, Priyanka Bansal, Robert Paul Pellegrinelli

A method, system, and computer-readable medium for identifying and creating a database of isomers and isobars of molecules including the steps of performing isomer or isobar separation on molecules to obtain separate isomeric or isobaric molecules, measuri ...

2022

Interplay of Intra- and Intermolecular H-Bonding in a Progressively Solvated Macrocyclic Peptide

Thomas Rizzo, Oleg Boyarkine, Natalia Nagornova

Studying solvation of a large molecule on an atomic level is challenging because of the transient character and inhomogeneity of hydrogen bonding in liquid water. We studied water clusters of a protonated macrocyclic decapeptide, gramicidin S, which were p ...

American Association for the Advancement of Science2012

Cryogenic Vibrational Spectroscopy Provides Unique Fingerprints for Glycan Identification

Thomas Rizzo, Michael Zachary Kamrath, Chiara Masellis

The structural characterization of glycans by mass spectrometry is particularly challenging. This is because of the high degree of isomerism in which glycans of the same mass can differ in their stereochemistry, attachment points, and degree of branching. ...

2017

Infrared Spectroscopy as a Probe of Electronic Energy Transfer

Thomas Rizzo, Antonio Prlj, Aleksandra Zabuga, Valeriu Scutelnic

We have combined electronic and vibrational spec- troscopy in a cryogenic ion trap to produce highly resolved, conformer-selective spectra for the ground and excited states of a peptide containing two chromophores. These spectra permit us to determine the ...

2018

A New Strategy Coupling Ion-Mobility-Selective CID and Cryogenic IR Spectroscopy to Identify Glycan Anomers

Thomas Rizzo, Ahmed Ben Faleh, Stephan Warnke, Eduardo Carrascosa Casado, Priyanka Bansal, Robert Paul Pellegrinelli, Lei Yue

Determining the primary structure of glycans remains challenging due to their isomeric complexity. While high-resolution ion mobility spectrometry (IMS) has recently allowed distinguishing between many glycan isomers, the arrival-time distributions (ATDs) ...

2022

Identifying Mixtures of Isomeric Human Milk Oligosaccharides by the Decomposition of IR Spectral Fingerprints

Thomas Rizzo, Ahmed Ben Faleh, Stephan Warnke, Vasyl Yatsyna, Ali H Abikhodr

The analysis of glycans presents a significant challenge that arises from their isomeric heterogeneity. While high-resolution ion mobility spectrometry (IMS) has shown the ability to resolve subtly different glycan isomers, their unambiguous assignment rem ...

2021

A new tandem mass spectrometer for photofragment spectroscopy of cold, gas-phase molecular ions

Thomas Rizzo, Oleg Boyarkine, Ulrich Lorenz, Annette Svendsen

We present here the design of a new tandem mass spectrometer that combines an electrospray ion source with a cryogenically cooled ion trap for spectroscopic studies of cold, gas-phase ions. The ability to generate large ions in the gas phase without fragme ...

American Institute of Physics2010

Assessing the performance of computational methods for the prediction of the ground state structure of a cyclic decapeptide

Ursula Röthlisberger, Ivano Tavernelli, Thomas Rizzo, Oleg Boyarkine, Natalia Nagornova, Manuel Dömer, Matteo Guglielmi

We benchmark the performance of various computational approaches, ranging from the classical nonpolarizable force fields AMBER FF96 and FF99SB, the polarizable force fields AMBER FF02polEP and AMOEBAbio09 to the semiempirical DFT method SCC-DFTB. The test ...

Wiley-Blackwell2013

Multiple Isomers and Protonation Sites of the Phenylalanine/Serine Dimer

Thomas Rizzo, Ulrich Lorenz

Our investigation of the phenylalanine/serine (Phe/Ser) protonated dimer suggests that the intermolecular interaction between the two amino acids is more complex than could have been anticipated from previous studies of similar systems. Isomer-specific inf ...

2012

A method for characterizing polysaccharides

Thomas Rizzo, Michael Zachary Kamrath, Chiara Masellis

A method for a structural characterization of polysaccharides, comprising steps of characterizing a polysaccharide by physical measurements comprising a determination of a mass of the polysaccharide by means of mass spectrometry, a further determination of ...

2018

Accurate bond dissociation energy of water determined by triple-resonance vibrational spectroscopy and ab initio calculations

Thomas Rizzo, Oleg Boyarkine, Pavlo Maksyutenko, Oleg Aseev

Triple-resonance vibrational spectroscopy is used to determine the lowest dissociation energy, D0, for the water isotopologue HD16O as 41 239.7 ± 0.2 cm−1 and to improve D0 for H216O to 41 145.92 ± 0.12 cm−1. Ab initio calculations including systematic bas ...

Elsevier2013