Paper Search Console

Home Search Page About Contact

Journal Title

Title of Journal: J Am Soc Mass Spectrom

Search In Journal Title:

Abbravation: Journal of The American Society for Mass Spectrometry

Search In Journal Abbravation:

Publisher

Springer US

Search In Publisher:

DOI

10.1007/bf01975068

Search In DOI:

ISSN

1879-1123

Search In ISSN:
Search In Title Of Papers:

Structural Investigation of Protonated Azidothymid

Authors: Blake E Ziegler Rick A Marta Michael B Burt Sabrina M Martens Jonathan K Martens Terry B McMahon
Publish Date: 2013/12/04
Volume: 25, Issue: 2, Pages: 176-185
PDF Link

Abstract

Infrared multiple photon dissociation IRMPD spectroscopy experiments and quantum chemical calculations have been used to explore the possible structures of protonated azidothymidine and the corresponding protonated dimer Many interesting differences between the protonated and neutral forms of azidothymidine were found particularly associated with ketoenol tautomerization Comparison of computational vibrational and the experimental IMRPD spectra show good agreement and give confidence that the dominant protonated species has been identified The protonated dimer of azidothymidine exhibits three intramolecular hydrogen bonds The IRMPD spectrum of the protonated dimer is consistent with the spectrum of the most stable computational structure This work brings to light interesting ketoenol tautomerization and exocyclic hydrogen bonding involving azidothymidine and its protonated dimer The fact that one dominant protonated species is observed in the gas phase despite both the keto and enol structures being similar in energy is proposed to be the direct result of the electrospray ionization process in which the dominant protonated dimer structure dissociates in the most energetically favorable wayThe generous financial support of the Natural Sciences and Engineering Research Council is gratefully acknowledged as is the financial support of the European Commission through the NEST/ADENTURE program EPITOPES Project 15637 The authors are very grateful for the valuable assistance of the CLIO team Maitre J Lemaire V Steinmetz D Scuderi and J M Ortega along with the CLIO technical support staff for their assistance during our stay in Orsay France The computational work was made possible by the facilities of the Shared Hierarchical Academic Research Computing Network SHARCNETwwwsharcnetca and Compute/Calcul Canada


Keywords:

References


.
Search In Abstract Of Papers:
Other Papers In This Journal:

  1. Distonic Ions: Editorial
  2. On the Efficiency of NHS Ester Cross-Linkers for Stabilizing Integral Membrane Protein Complexes
  3. Dynamic Interchanging Native States of Lymphotactin Examined by SNAPP-MS
  4. Quantitative Assessment of Protein Structural Models by Comparison of H/D Exchange MS Data with Exchange Behavior Accurately Predicted by DXCOREX
  5. Reflections on Charge State Distributions, Protein Structure, and the Mystical Mechanism of Electrospray Ionization
  6. CYCLONE—A Utility for De Novo Sequencing of Microbial Cyclic Peptides
  7. Mass Spectrometry-Based Quantification of Pseudouridine in RNA
  8. Statistical Examination of the a and a + 1 Fragment Ions from 193 nm Ultraviolet Photodissociation Reveals Local Hydrogen Bonding Interactions
  9. Perspective on Electrospray Ionization and Its Relation to Electrochemistry
  10. Untargeted Metabolomics Strategies—Challenges and Emerging Directions
  11. Development of a Magnetic Microbead Affinity Selection Screen (MagMASS) Using Mass Spectrometry for Ligands to the Retinoid X Receptor-α
  12. Application of Probe Electrospray Ionization Mass Spectrometry (PESI-MS) to Clinical Diagnosis: Solvent Effect on Lipid Analysis
  13. Ion-Molecule Clustering in Differential Mobility Spectrometry: Lessons Learned from Tetraalkylammonium Cations and their Isomers
  14. Charge Detection Mass Spectrometry for Single Ions with an Uncertainty in the Charge Measurement of 0.65 e
  15. Super-Atmospheric Pressure Electrospray Ion Source: Applied to Aqueous Solution
  16. Probing the Electron Capture Dissociation Mass Spectrometry of Phosphopeptides with Traveling Wave Ion Mobility Spectrometry and Molecular Dynamics Simulations
  17. Efficient Covalent Bond Formation in Gas-Phase Peptide–Peptide Ion Complexes with the Photoleucine Stapler
  18. Ion Trap Electric Field Characterization Using Slab Coupled Optical Fiber Sensors
  19. Picoelectrospray Ionization Mass Spectrometry Using Narrow-Bore Chemically Etched Emitters
  20. The H-Index of ‘An Approach to Correlate Tandem Mass Spectral Data of Peptides with Amino Acid Sequences in a Protein Database’
  21. Predicting Compensation Voltage for Singly-charged Ions in High-Field Asymmetric Waveform Ion Mobility Spectrometry (FAIMS)
  22. Native ESI Mass Spectrometry Can Help to Avoid Wrong Interpretations from Isothermal Titration Calorimetry in Difficult Situations
  23. Characterization of Tyrosine Nitration and Cysteine Nitrosylation Modifications by Metastable Atom-Activation Dissociation Mass Spectrometry
  24. Deconstructing Desorption Electrospray Ionization: Independent Optimization of Desorption and Ionization by Spray Desorption Collection
  25. Matrix Assisted Ionization in Vacuum, a Sensitive and Widely Applicable Ionization Method for Mass Spectrometry
  26. Localization of Post-Translational Modifications in Peptide Mixtures via High-Resolution Differential Ion Mobility Separations Followed by Electron Transfer Dissociation
  27. MALDI Mass Spectrometric Imaging of Lipids in Rat Brain Injury Models
  28. High Production of Small Organic Dicarboxylate Dianions by DESI and ESI
  29. Automated Lipid A Structure Assignment from Hierarchical Tandem Mass Spectrometry Data
  30. Automated Lipid A Structure Assignment from Hierarchical Tandem Mass Spectrometry Data
  31. Transitioning from Targeted to Comprehensive Mass Spectrometry Using Genetic Algorithms

Search Result: