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Conformational Ordering of Biomolecules in the Gas Phase: Nitrogen Collision Cross Sections Measured on a Prototype High Resolution Drift Tube Ion Mobility-Mass Spectrometer

[Image: see text] Ion mobility-mass spectrometry measurements which describe the gas-phase scaling of molecular size and mass are of both fundamental and pragmatic utility. Fundamentally, such measurements expand our understanding of intrinsic intramolecular folding forces in the absence of solvent....

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Autores principales: May, Jody C., Goodwin, Cody R., Lareau, Nichole M., Leaptrot, Katrina L., Morris, Caleb B., Kurulugama, Ruwan T., Mordehai, Alex, Klein, Christian, Barry, William, Darland, Ed, Overney, Gregor, Imatani, Kenneth, Stafford, George C., Fjeldsted, John C., McLean, John A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2014
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3931330/
https://www.ncbi.nlm.nih.gov/pubmed/24446877
http://dx.doi.org/10.1021/ac4038448
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author May, Jody C.
Goodwin, Cody R.
Lareau, Nichole M.
Leaptrot, Katrina L.
Morris, Caleb B.
Kurulugama, Ruwan T.
Mordehai, Alex
Klein, Christian
Barry, William
Darland, Ed
Overney, Gregor
Imatani, Kenneth
Stafford, George C.
Fjeldsted, John C.
McLean, John A.
author_facet May, Jody C.
Goodwin, Cody R.
Lareau, Nichole M.
Leaptrot, Katrina L.
Morris, Caleb B.
Kurulugama, Ruwan T.
Mordehai, Alex
Klein, Christian
Barry, William
Darland, Ed
Overney, Gregor
Imatani, Kenneth
Stafford, George C.
Fjeldsted, John C.
McLean, John A.
author_sort May, Jody C.
collection PubMed
description [Image: see text] Ion mobility-mass spectrometry measurements which describe the gas-phase scaling of molecular size and mass are of both fundamental and pragmatic utility. Fundamentally, such measurements expand our understanding of intrinsic intramolecular folding forces in the absence of solvent. Practically, reproducible transport properties, such as gas-phase collision cross-section (CCS), are analytically useful metrics for identification and characterization purposes. Here, we report 594 CCS values obtained in nitrogen drift gas on an electrostatic drift tube ion mobility-mass spectrometry (IM-MS) instrument. The instrument platform is a newly developed prototype incorporating a uniform-field drift tube bracketed by electrodynamic ion funnels and coupled to a high resolution quadrupole time-of-flight mass spectrometer. The CCS values reported here are of high experimental precision (±0.5% or better) and represent four chemically distinct classes of molecules (quaternary ammonium salts, lipids, peptides, and carbohydrates), which enables structural comparisons to be made between molecules of different chemical compositions for the rapid “omni-omic” characterization of complex biological samples. Comparisons made between helium and nitrogen-derived CCS measurements demonstrate that nitrogen CCS values are systematically larger than helium values; however, general separation trends between chemical classes are retained regardless of the drift gas. These results underscore that, for the highest CCS accuracy, care must be exercised when utilizing helium-derived CCS values to calibrate measurements obtained in nitrogen, as is the common practice in the field.
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spelling pubmed-39313302014-02-21 Conformational Ordering of Biomolecules in the Gas Phase: Nitrogen Collision Cross Sections Measured on a Prototype High Resolution Drift Tube Ion Mobility-Mass Spectrometer May, Jody C. Goodwin, Cody R. Lareau, Nichole M. Leaptrot, Katrina L. Morris, Caleb B. Kurulugama, Ruwan T. Mordehai, Alex Klein, Christian Barry, William Darland, Ed Overney, Gregor Imatani, Kenneth Stafford, George C. Fjeldsted, John C. McLean, John A. Anal Chem [Image: see text] Ion mobility-mass spectrometry measurements which describe the gas-phase scaling of molecular size and mass are of both fundamental and pragmatic utility. Fundamentally, such measurements expand our understanding of intrinsic intramolecular folding forces in the absence of solvent. Practically, reproducible transport properties, such as gas-phase collision cross-section (CCS), are analytically useful metrics for identification and characterization purposes. Here, we report 594 CCS values obtained in nitrogen drift gas on an electrostatic drift tube ion mobility-mass spectrometry (IM-MS) instrument. The instrument platform is a newly developed prototype incorporating a uniform-field drift tube bracketed by electrodynamic ion funnels and coupled to a high resolution quadrupole time-of-flight mass spectrometer. The CCS values reported here are of high experimental precision (±0.5% or better) and represent four chemically distinct classes of molecules (quaternary ammonium salts, lipids, peptides, and carbohydrates), which enables structural comparisons to be made between molecules of different chemical compositions for the rapid “omni-omic” characterization of complex biological samples. Comparisons made between helium and nitrogen-derived CCS measurements demonstrate that nitrogen CCS values are systematically larger than helium values; however, general separation trends between chemical classes are retained regardless of the drift gas. These results underscore that, for the highest CCS accuracy, care must be exercised when utilizing helium-derived CCS values to calibrate measurements obtained in nitrogen, as is the common practice in the field. American Chemical Society 2014-01-22 2014-02-18 /pmc/articles/PMC3931330/ /pubmed/24446877 http://dx.doi.org/10.1021/ac4038448 Text en Copyright © 2014 American Chemical Society Terms of Use (http://pubs.acs.org/page/policy/authorchoice_termsofuse.html)
spellingShingle May, Jody C.
Goodwin, Cody R.
Lareau, Nichole M.
Leaptrot, Katrina L.
Morris, Caleb B.
Kurulugama, Ruwan T.
Mordehai, Alex
Klein, Christian
Barry, William
Darland, Ed
Overney, Gregor
Imatani, Kenneth
Stafford, George C.
Fjeldsted, John C.
McLean, John A.
Conformational Ordering of Biomolecules in the Gas Phase: Nitrogen Collision Cross Sections Measured on a Prototype High Resolution Drift Tube Ion Mobility-Mass Spectrometer
title Conformational Ordering of Biomolecules in the Gas Phase: Nitrogen Collision Cross Sections Measured on a Prototype High Resolution Drift Tube Ion Mobility-Mass Spectrometer
title_full Conformational Ordering of Biomolecules in the Gas Phase: Nitrogen Collision Cross Sections Measured on a Prototype High Resolution Drift Tube Ion Mobility-Mass Spectrometer
title_fullStr Conformational Ordering of Biomolecules in the Gas Phase: Nitrogen Collision Cross Sections Measured on a Prototype High Resolution Drift Tube Ion Mobility-Mass Spectrometer
title_full_unstemmed Conformational Ordering of Biomolecules in the Gas Phase: Nitrogen Collision Cross Sections Measured on a Prototype High Resolution Drift Tube Ion Mobility-Mass Spectrometer
title_short Conformational Ordering of Biomolecules in the Gas Phase: Nitrogen Collision Cross Sections Measured on a Prototype High Resolution Drift Tube Ion Mobility-Mass Spectrometer
title_sort conformational ordering of biomolecules in the gas phase: nitrogen collision cross sections measured on a prototype high resolution drift tube ion mobility-mass spectrometer
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3931330/
https://www.ncbi.nlm.nih.gov/pubmed/24446877
http://dx.doi.org/10.1021/ac4038448
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