Imaging Isomers on a Biological Surface: A Review

Claes, Britt S R; Takeo, Emi; Fukusaki, Eiichiro; Shimma, Shuichi; Heeren, Ron M. A.

doi:10.5702/massspectrometry.a0078

Cited by 8 publications

(5 citation statements)

References 119 publications

(189 reference statements)

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“…Finally, the use of metabolomics to detect compounds in edible plants highly depends on the instrumentation used, standard libraries and identification methods. For example, it is known that mass-spectrometers have poor detection of stereoisomers [62][63][64] . Even though considerable efforts have been made to establish spectral analysis pipelines, highthroughput metabolomics compound identification remains limited.…”

Section: Discussionmentioning

confidence: 99%

Genomics-based annotations help unveil the molecular composition of edible plants

Ofaim

Menichetti

Sebek

et al. 2022

Preprint

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Given the important role food plays in health and wellbeing, the past decades have seen considerable experimental efforts dedicated to mapping the chemical composition of food ingredients. As the composition of raw food is genetically predetermined, here we ask, to what degree can we rely on genomics to predict the chemical composition of natural ingredients. We therefore developed tools to unveil the chemical composition of 75 edible plants genomes, finding that genome-based annotations increase the number of compounds linked to specific plants by 42 to 100%. We rely on Gibbs free energy to identify compounds that accumulate in plants, i.e., those that are more likely to be detected experimentally. To quantify the accuracy of our predictions, we performed untargeted metabolomics on 13 plants, allowing us to experimentally confirm the detectability of the predicted compounds. For example, we find 59 novel compounds in corn, predicted by genomics annotations and supported by our experiments, but previously not assigned to the plant. Our study shows that genome-based annotations can lead to an integrated metabologenomics platform capable of unveiling the chemical composition of edible plants, and the biochemical pathways responsible for the observed compounds.

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Section: Discussionmentioning

confidence: 99%

Genomics-based annotations help unveil the molecular composition of edible plants

Ofaim

Menichetti

Sebek

et al. 2022

Preprint

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“…If the compound was not well ionized and detected, it was necessary to optimize the ionization using on-tissue chemical derivatization (OTCD). OTCD can be used as a tool to study the spatial distribution of poorly ionizable molecules within tissue (Claes et al 2019;Harkin et al 2021). Derivatization was carried out in this study using Girard's reagent T (GT) (Shimma et al 2016).…”

Section: Methodsmentioning

confidence: 99%

Profile of cryptobrachytone C accumulation in Cryptocarya pulchrinervia leaves using MALDI-MSI

et al. 2021

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Abstract. Ratnasari J, Esyanti RR, Tan MI, Juliawaty LD, Shimma S. 2021. Profile of cryptobrachytone C accumulation in Cryptocarya pulchrinervia leaves using MALDI-MSI. Biodiversitas 22: 1172-1178. Cryptobrachytone C is an active compound isolated from leaves of Cryptocarya pulchrinervia, an indigenous plant from Indonesia. Cryptobrachytone C is cytotoxic against P388 leukemia cancer cell lines. A profile of cryptobrachytone C accumulation in leaves based on physiological age is necessary to study cryptobrachytone C production in the plant since it has anticancer potential. In situ profiling of cryptobrachytone C accumulation in leaves was carried out by imaging techniques using matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI). The cryptobrachytone C ionization efficiency was carried out by derivatization using Girard-T reagent and coating with α-cyano-4-hydroxycinnamic acid (α-CHCA) matrix. Scanned leaves show higher accumulation intensity in the second leaf. Quantitative accumulation profiling was conducted using GC-MS, where the highest amount of cryptobrachytone C was on the second leaf at 87.07 ± 47.21 mg. This showed that the most effective isolation of cryptobrachytone C would be obtained from young leaves of Cryptocarya pulchrinervia. This profile would play a role in cryptobrachytone C production in-situ or ex-situ using tissue culture.

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“…Instead of sample fractionation, Schindler et al reduced the flow of the LC system at elution times of preselected LC features achieving IRMPD spectroscopy differentiation of glycan isomers requiring only~6 min per IRMPD spectrum instead of3 0 min [147]. For this reason, specialized mass spectrometric equipment and optimized MSI workflows have been developed in order to spatially track specific compounds in tissues [148]. For example, Takeo et al developed a method to track and distinguish steroids that typically show low MSI signal intensities and only differ by the position of hydroxy/carbonyl groups/ DBs [149].…”

Section: First Lc-ms N Case Studiesmentioning

confidence: 99%

Advanced tandem mass spectrometry in metabolomics and lipidomics—methods and applications

Heiles

2021

Anal Bioanal Chem

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Metabolomics and lipidomics are new drivers of the omics era as molecular signatures and selected analytes allow phenotypic characterization and serve as biomarkers, respectively. The growing capabilities of untargeted and targeted workflows, which primarily rely on mass spectrometric platforms, enable extensive charting or identification of bioactive metabolites and lipids. Structural annotation of these compounds is key in order to link specific molecular entities to defined biochemical functions or phenotypes. Tandem mass spectrometry (MS), first and foremost collision-induced dissociation (CID), is the method of choice to unveil structural details of metabolites and lipids. But CID fragment ions are often not sufficient to fully characterize analytes. Therefore, recent years have seen a surge in alternative tandem MS methodologies that aim to offer full structural characterization of metabolites and lipids. In this article, principles, capabilities, drawbacks, and first applications of these “advanced tandem mass spectrometry” strategies will be critically reviewed. This includes tandem MS methods that are based on electrons, photons, and ion/molecule, as well as ion/ion reactions, combining tandem MS with concepts from optical spectroscopy and making use of derivatization strategies. In the final sections of this review, the first applications of these methodologies in combination with liquid chromatography or mass spectrometry imaging are highlighted and future perspectives for research in metabolomics and lipidomics are discussed. Graphical abstract

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Imaging Isomers on a Biological Surface: A Review

Cited by 8 publications

References 119 publications

Genomics-based annotations help unveil the molecular composition of edible plants

Genomics-based annotations help unveil the molecular composition of edible plants

Profile of cryptobrachytone C accumulation in Cryptocarya pulchrinervia leaves using MALDI-MSI

Advanced tandem mass spectrometry in metabolomics and lipidomics—methods and applications

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