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Title: Enhancing glycan isomer separations with metal ions and positive and negative polarity ion mobility spectrometry-mass spectrometry analyses

Journal Article · · Analytical and Bioanalytical Chemistry

Glycomics has become an increasingly important field of research since glycans play critical roles in biology processes ranging from molecular recognition and signaling to cellular communication. Glycans often conjugate with other biomolecules such as proteins and lipids, and alter their properties and functions, so understanding the effect glycans have on cellular systems is essential. However the analysis of glycans is extremely difficult due to their complexity and structural diversity (i.e., the number and identity of monomer units, and configuration of their glycosidic linkages and connectivities). In this work, we coupled ion mobility spectrometry with mass spectrometry (IMS-MS) to characterize glycan standards and biologically important isomers of synthetic αGal-containing O-glycans including glycotopes of the protozoan parasite Trypanosoma cruzi, which is the causative agent of Chagas disease. IMS-MS results showed significant differences for the glycan structural isomers when analyzed in positive and negative polarity and complexed with different metal cations. These results suggest specific metal ions or ion polarities could be used to target and baseline separate glycan isomers of interest with IMS-MS.

Research Organization:
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Sciences Laboratory (EMSL)
Sponsoring Organization:
USDOE
DOE Contract Number:
AC05-76RL01830
OSTI ID:
1340745
Report Number(s):
PNNL-SA-118977; 48680; 48135; 49439; KP1601010; 453040220; 400412000; 400412000
Journal Information:
Analytical and Bioanalytical Chemistry, Vol. 409, Issue 2; ISSN 1618-2642
Publisher:
Springer
Country of Publication:
United States
Language:
English

References (44)

Protein glycosylation: nature, distribution, enzymatic formation, and disease implications of glycopeptide bonds journal April 2002
Improving mass spectrometer sensitivity using a high-pressure electrodynamic ion funnel interface journal September 2006
Carbohydrate Structural Determination by NMR Spectroscopy:  Modern Methods and Limitations journal December 2000
6-31G* basis set for third-row atoms journal January 2001
Enhanced Ion Utilization Efficiency Using an Electrodynamic Ion Funnel Trap as an Injection Mechanism for Ion Mobility Spectrometry journal February 2008
Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis journal August 1980
Genetic defects in the human glycome journal June 2006
Collision Cross Sections for Structural Proteomics journal April 2015
Applications of ion mobility mass spectrometry for high throughput, high resolution glycan analysis journal August 2016
Conformational Ordering of Biomolecules in the Gas Phase: Nitrogen Collision Cross Sections Measured on a Prototype High Resolution Drift Tube Ion Mobility-Mass Spectrometer journal February 2014
Role of Glycosylation in Development journal June 2004
Glycomics: an integrated systems approach to structure-function relationships of glycans journal October 2005
ChemSpider: An Online Chemical Information Resource journal November 2010
Dynamically Multiplexed Ion Mobility Time-of-Flight Mass Spectrometry journal August 2008
Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94 journal April 1996
Self‐consistent molecular orbital methods. XXIII. A polarization‐type basis set for second‐row elements journal October 1982
Biological roles of oligosaccharides: all of the theories are correct journal April 1993
Glycosylation in Cellular Mechanisms of Health and Disease journal September 2006
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations journal September 2010
Ion mobility mass spectrometry of proteins and proteinassemblies journal January 2010
Multidimensional Analysis of 16 Glucose Isomers by Ion Mobility Spectrometry journal February 2016
The power of ion mobility-mass spectrometry for structural characterization and the study of conformational dynamics journal March 2014
Ion Mobility–Mass Spectrometry of Complex Carbohydrates: Collision Cross Sections of Sodiated N-linked Glycans journal May 2013
Ion Mobility Separations of Isomers based upon Long Path Length Structures for Lossless Ion Manipulations Combined with Mass Spectrometry journal July 2016
Discrimination of Isomeric Carbohydrates as the Electron Transfer Products of Group II Cation Adducts by Ion Mobility Spectrometry and Tandem Mass Spectrometry journal May 2015
Density‐functional thermochemistry. III. The role of exact exchange journal April 1993
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density journal January 1988
The influence of polarization functions on molecular orbital hydrogenation energies journal January 1973
Opportunities and challenges in synthetic oligosaccharide and glycoconjugate research journal October 2009
Glycobiology:  Toward Understanding the Function of Sugars journal January 1996
Enhancing bottom-up and top-down proteomic measurements with ion mobility separations journal July 2015
Discrimination of epimeric glycans and glycopeptides using IM-MS and its potential for carbohydrate sequencing journal December 2013
The Challenge and Promise of Glycomics journal January 2014
Ion mobility-mass spectrometry analysis of isomeric carbohydrate precursor ions journal June 2009
A systematic approach to protein glycosylation analysis: a path through the maze journal September 2010
Structural resolution of carbohydrate positional and structural isomers based on gas-phase ion mobility-mass spectrometry journal January 2011
Identification of carbohydrate anomers using ion mobility–mass spectrometry journal September 2015
Avogadro: an advanced semantic chemical editor, visualization, and analysis platform journal August 2012
Ion-neutral collisional cross sections of carbohydrate isomers as divalent cation adducts and their electron transfer products journal January 2015
N-glycan structure dictates extension of protein folding or onset of disposal journal May 2007
Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields journal November 1994
High-Sensitivity Ion Mobility Spectrometry/Mass Spectrometry Using Electrodynamic Ion Funnel Interfaces journal May 2005
Glycoprotein Structure Determination by Mass Spectrometry journal March 2001
Ion Mobility Studies of Carbohydrates as Group I Adducts: Isomer Specific Collisional Cross Section Dependence on Metal Ion Radius journal September 2013

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