Identification of novel isomeric pectic oligosaccharides using hydrophilic interaction chromatography coupled to traveling-wave ion mobility mass spectrometry

Leijdekkers, A.G.M.; Huang, Jie-Hong; Bakx, Edwin J.; Gruppen, Harry; Schols, Henk A.

doi:10.1016/j.carres.2014.12.003

Cited by 32 publications

(17 citation statements)

References 22 publications

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“…(Combo, Aguedo, Goffin, Wathelet, & Paquot, 2012). POS mixtures can be formed of various types of oligomers and these structures are often characterised using chromatographic techniques such as HPAEC-PAD (Babbar, Dejonghe, Sforza, & Elst, 2017;Combo et al, 2013; n a a , and mass spectrometry (MS) (Leijdekkers, Huang, Bakx, Gruppen, & Schols, 2015;Ognyanov et al, 2016). MS allows structural patterns of complex molecules to be determined and has become the analytical method of choice in metabolomics research.…”

Section: Introductionmentioning

confidence: 99%

GC–MS characterisation of novel artichoke (Cynara scolymus) pectic-oligosaccharides mixtures by the application of machine learning algorithms and competitive fragmentation modelling

Sabater

Olano

Corzo

et al. 2019

Carbohydrate Polymers

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Novel artichoke pectic-oligosaccharides (POS) mixtures have been obtained by enzymatic hydrolysis using four commercial enzyme preparations: Glucanex ® 200G, Pentopan ® Mono-BG, Pectinex ® Ultra-Olio and Cellulase from Aspergillus niger. Analysis by HPAEC-PAD showed that Cellulase from A. niger produced the greatest amount of POS (310.6 mg g-1 pectin), while the lowest amount was produced by Pentopan ® Mono-BG (45.7 mg g-1 pectin). To determine structural differences depending on the origin of the enzyme, GC-MS spectra of di-and trisaccharides have been studied employing three machine learning algorithms: multilayer perceptron, random forest and boosted logistic regression. Machine learning models allowed characteristic m/z ions patterns to be established for each enzyme based on their GC-MS spectra with high prediction rates (above 95% on the test set). Possible chemical structures were given for some m/z ions having a decisive influence on these classifications. Finally, it was observed that several ions could be formed from specific POS structures.

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Section: Introductionmentioning

confidence: 99%

GC–MS characterisation of novel artichoke (Cynara scolymus) pectic-oligosaccharides mixtures by the application of machine learning algorithms and competitive fragmentation modelling

Sabater

Olano

Corzo

et al. 2019

Carbohydrate Polymers

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“…Conformers of maltohexaose were also separated. 3-Amino-quinoline-labeled partially methyl-esterified α-(1,4)-linked galacturonic acid oligosaccharides have also given asymmetrical ATDs attributable to isomers [38]. Complex ATDs for several doubly and triply sodium adducted permethylated N -glycans released from human tissues have been observed [26], suggesting isomer separation but the species producing each of the glycan constituents were not determined.…”

Section: Introductionmentioning

confidence: 99%

Ion Mobility Mass Spectrometry for Ion Recovery and Clean-Up of MS and MS/MS Spectra Obtained from Low Abundance Viral Samples

Harvey

Crispin

Bonomelli

et al. 2015

J. Am. Soc. Mass Spectrom.

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Graphical abstract Many samples of complex mixtures of N-glycans released from small amounts of material, such as glycoproteins from viruses, present problems for mass spectrometric analysis because of the presence of contaminating material that is difficult to remove by conventional methods without involving sample loss. This paper describes the use of ion mobility for extraction of glycan profiles from such samples and for obtaining clean CID spectra when targeted m/z values capture additional ions from those of the target compound. N-Glycans were released enzymatically from within SDS-PAGE gels, from the representative glycoprotein, gp120 of the human immunodeficiency virus, and examined by direct infusion electrospray in negative mode followed by ion mobility with a Waters Synapt G2 mass spectrometer. Clean profiles of singly, doubly and triply charged N-glycans were obtained from samples in cases where the raw electrospray spectra displayed only a few glycan ions as the result of low sample concentration or the presence of contamination. Ion mobility also enabled uncontaminated CID spectra to be obtained from glycans when their molecular ions displayed coincidence with ions from fragments or multiply charged ions with similar m/z values. This technique proved to be invaluable for removing extraneous ions from many CID spectra. The presence of such ions often produces spectra that are difficult to interpret. Most CID spectra, even those from abundant glycan constituents, benefited from such clean-up showing that the extra dimension provided by ion mobility was invaluable for studies of this type.

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“…Because mobility separations typically occur on the order of milliseconds it is possible to couple IM between LC [36,37] or CE [38] and mass spectrometry for glycan analysis (Figure 2a). The combination of orthogonal separation methods has been demonstrated to offer improved characterization of isomeric glycans.…”

Section: Coupling Im With Orthogonal Separation Techniquesmentioning

confidence: 99%

“…The combination of orthogonal separation methods has been demonstrated to offer improved characterization of isomeric glycans. For example, the combination of hydrophilic interaction chromatography (HILIC) and TWIM was used for separation of isomeric pectic oligosaccharides [37]. In addition, a straightforward reversed-phase LC-IM-MS platform was developed for integrated proteomic and glycomic studies [39].…”

Section: Coupling Im With Orthogonal Separation Techniquesmentioning

confidence: 99%

Recent advances in ion mobility–mass spectrometry for improved structural characterization of glycans and glycoconjugates

Chen

Glover

2018

Current Opinion in Chemical Biology

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Glycans and glycoconjugates are involved in regulating a vast array of cellular and molecular processes. Despite the importance of glycans in biology and disease, characterization of glycans remains difficult due to their structural complexity and diversity. Mass spectrometry (MS)-based techniques have emerged as the premier analytical tools for characterizing glycans. However, traditional MS-based strategies struggle to distinguish the large number of coexisting isomeric glycans that are indistinguishable by mass alone. Because of this, ion mobility spectrometry coupled to MS (IM-MS) has received considerable attention as an analytical tool for improving glycan characterization due to the capability of IM to resolve isomeric glycans before MS measurements. In this review, we present recent improvements in IM-MS instrumentation and methods for the structural characterization of isomeric glycans. In addition, we highlight recent applications of IM-MS that illustrate the enormous potential of this technology in a variety of research areas, including glycomics, glycoproteomics, and glycobiology.

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Identification of novel isomeric pectic oligosaccharides using hydrophilic interaction chromatography coupled to traveling-wave ion mobility mass spectrometry

Cited by 32 publications

References 22 publications

GC–MS characterisation of novel artichoke (Cynara scolymus) pectic-oligosaccharides mixtures by the application of machine learning algorithms and competitive fragmentation modelling

GC–MS characterisation of novel artichoke (Cynara scolymus) pectic-oligosaccharides mixtures by the application of machine learning algorithms and competitive fragmentation modelling

Ion Mobility Mass Spectrometry for Ion Recovery and Clean-Up of MS and MS/MS Spectra Obtained from Low Abundance Viral Samples

Recent advances in ion mobility–mass spectrometry for improved structural characterization of glycans and glycoconjugates

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