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Oleg Boyarkine

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Publications associées (73)

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

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

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

UV and IR spectroscopy of cold 1,2-dimethoxybenzene complexes with alkali metal ions

Oleg Boyarkine, Thomas Rizzo, Yoshiya Inokuchi

We report UV photodissociation (UVPD) and IR-UV double-resonance spectra of 1,2-dimethoxybenzene (DMB) complexes with alkali metal ions, M+•DMB (M = Li, Na, K, Rb, and Cs), in a cold 22-pole ion trap. The UVPD spectrum of the Li+ complex shows a strong ori ...

2012

State-resolved spectroscopy of high vibrational levels of water up to the dissociative continuum

Oleg Boyarkine, Thomas Rizzo, Pavlo Maksyutenko, Maxim Grechko

We summarize here our experimental studies of the high rovibrational energy levels of water. The use of double-resonance vibrational overtone excitation followed by energy-selective photofragmentation and laser-induced fluorescence detection of OH fragment ...

2012

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

Oleg Boyarkine, Thomas Rizzo, 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

Conformation-Specific Spectroscopy of Peptide Fragment Ions in a low-Temperature Ion Trap

Oleg Boyarkine, Thomas Rizzo

We have applied conformer-selective IR-UV double-resonance photofragment spectroscopy at low temperatures in an ion trap mass spectrometer for the spectroscopic characterization of peptide fragment ions. We investigate b- and a-type ions formed by collisio ...

Springer-Verlag2012

Conformational distribution of bradykinin [bk+2H]2+ revealed by cold ion spectroscopy coupled with FAIMS

Oleg Boyarkine, Thomas Rizzo, Georgios Papadopoulos, Annette Svendsen

We employ Cold Ion Spectroscopy (CIS) in conjunction with high-Field Asymmetric Waveform Ion Mobility Spectrometry (FAIMS) to study the peptide bradykinin in its doubly protonated charge state ([bk+2H]2+). Using FAIMS we partially separate the electrospray ...

Springer-Verlag2012

UV Spectroscopic Studies of Cold Alkali Metal Ion–Crown Ether Complexes in the Gas Phase

Oleg Boyarkine, Thomas Rizzo, Yoshiya Inokuchi

We report UV photodissociation (UVPD) spectra of dibenzo-18-crown-6 (DB18C6) complexes with alkali metal ions (Li+, Na+, K+, Rb+, and Cs+) in a cold, 22-pole ion trap. All the complexes show a number of vibronically resolved bands, but the vibronic structu ...

American Chemical Society2011

Cold Ion Spectroscopy Reveals the Intrinsic Structure of a Decapeptide

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

Wiley-VCH Verlag GmbH2011

Spectroscopy of mobility-selected biomolecular ions

Oleg Boyarkine, Thomas Rizzo, Georgios Papadopoulos, Annette Svendsen

We describe here experiments that combine differential ion mobility, which separates conformational isomers of biomolecular ions, with electronic spectroscopy in a cold, radio-frequency ion trap. Although the low temperature attainable in a cold ion trap g ...

2011

Feshbach resonances in the water molecule revealed by state-selective spectroscopy

Oleg Boyarkine, Thomas Rizzo, Pavlo Maksyutenko, Maxim Grechko

We employ triple-resonance vibrational overtone excitation to access quasibound states of water from several fully characterized bound states of the molecule. Comparison of the measured dissociation spectra allows a rigorous assignment of rotational quantu ...

American Institute of Physics2010

Structure and Bonding of Isoleptic Coinage Metal (Cu, Ag, Au) Dimethylaminonitrenes in the Gas Phase

Oleg Boyarkine, Thomas Rizzo, Peter Chen, Natalia Nagornova

Dimethylaminonitrene complexes of IMesM+ (IMes = 1,3-bis(2,4,6-trimethylphenyl)- imidazol-2-ylidene; M = Cu, Ag, Au) were prepared in the gas phase and structurally characterized by high-resolution infrared spectroscopy of the cold species, ion-molecule re ...

American Chemical Society2010

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

Oleg Boyarkine, Thomas Rizzo, Annette Svendsen, Ulrich Lorenz

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

Highly-resolved Spectra of Gas-phase Gramicidin S: A Benchmark for Peptide Structure Calculations

Oleg Boyarkine, Thomas Rizzo, Natalia Nagornova

We have measured a vibrationally-resolved UV spectrum of doubly-protonated gramicidin S (GS) in the gas phase and, subsequently, a highly-resolved, conformer-specific infrared spectra in the 6 μm fingerprint region, using a cold ion trap in combination wit ...

American Chemical Society2010

Communication: Feshbach resonances in the water molecule revealed by state-selective spectroscopy (vol 133, 081103, 2010)

Oleg Boyarkine, Thomas Rizzo, Pavlo Maksyutenko, Maxim Grechko

2010

Spectroscopy of Protonated Peptides Assisted by Infrared Multiple Photon Excitation

Oleg Boyarkine, Thomas Rizzo, Monia Guidi, Georgios Papadopoulos, Ulrich Lorenz

We report here a new technique for spectroscopic studies of protonated, gas- phase biomolecules and demonstrate its utility by measuring highly-resolved electronic and infrared spectra of peptides of up to 17 amino acids. After UV excitation of an aromatic ...

2009

Spectroscopic studies of cold, gas-phase biomolecular ions

Oleg Boyarkine, Thomas Rizzo

While the marriage of mass spectrometry and laser spectroscopy is not new, developments over the last few years in this relationship have opened up new horizons for the spectroscopic study of biological molecules. The combination of electrospray ionization ...

2009

State-selective spectroscopy of water up to its first dissociation limit

Oleg Boyarkine, Thomas Rizzo, Pavlo Maksyutenko, Maxim Grechko

A joint experimental and first-principles quantum chemical study of the vibration-rotation states of the water molecule up to its first dissociation limit is presented. Triple-resonance, quantum state selective spectroscopy is used to probe the entire ladd ...

2009

Spectroscopy and Conformational Preferences of Gas-Phase Helices

Oleg Boyarkine, Thomas Rizzo, Caroline Seaiby

We describe here a study of the spectroscopy of two peptides that we expect to be helical, Ac-Phe-(Ala)5-Lys-H+ and Ac-Phe-(Ala)10-Lys-H+, and one that we expect to be globular, Ac-Lys(H+)-Phe-(Ala)10, with the goal of identifying spectral features charact ...

2009

Collisionally-assisted spectroscopy of water from 27000 to 34000 cm-1

Oleg Boyarkine, Thomas Rizzo, Pavlo Maksyutenko, Maxim Grechko

We report here an experimental approach that enables measurement of weak transitions to a wide range of rovibrational levels of water in the energy region 27000-34200 cm-1. We have previously demonstrated the use of laser double-resonance overtone excitati ...

2008

Effects of N-terminus substitution on the structure and spectroscopy of gas-phase helices

Oleg Boyarkine, Thomas Rizzo

Because of the importance of helices in the secondary structure of proteins, we have undertaken a study of their spectroscopy, fragmentation patterns and conformations in the gas phase. In this work, we describe the effects of substitution at the N-terminu ...

2008

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