Spatial Probabilistic Mapping of Metabolite Ensembles in Mass Spectrometry Imaging

Mass spectrometry imaging (MSI) vows to enable simultaneous spatially-resolved investigation of hundreds of metabolites in tissue sections, but it still relies on poorly defined ion images for data interpretation. Here, we outline moleculaR, a computational framework (https://github.com/CeMOS-Mannheim/moleculaR) that introduces probabilistic mapping and point-for-point statistical testing of metabolites in tissue. It enables collective molecular projections and consequently spatially-resolved investigation of ion milieus, lipid pathways or user-defined biomolecular ensembles within the same image.

Download Full-text

Spatial Probabilistic Mapping of Metabolite Ensembles in Mass Spectrometry Imaging

10.21203/rs.3.rs-1058357/v1 ◽

2021 ◽

Author(s):

Denis Abu Sammour ◽

James Cairns ◽

Tobias Boskamp ◽

Tobias Kessler ◽

Carina Ramallo Guevara ◽

...

Keyword(s):

Mass Spectrometry ◽

Mass Spectrometry Imaging ◽

Energy Charge ◽

Data Interpretation ◽

Statistical Testing ◽

Adenylate Energy Charge ◽

Spatially Resolved ◽

Probabilistic Mapping ◽

Sodium Adducts ◽

Instance Analysis

Abstract Mass spectrometry imaging (MSI) vows to enable simultaneous spatially-resolved investigation of hundreds of metabolites in tissue sections, but it still relies on poorly defined ion images for data interpretation. Here, we outline moleculaR, a computational framework in R, that introduces systematic probabilistic mapping and point-for-point statistical testing of metabolites in tissue to MSI. Beyond statistics, moleculaR allows for arithmetic operations within the same MS image and thereby, for instance, analysis and visualization of complex scores like the adenylate energy charge ([ATP]+0.5*[ADP])/ ([ATP]+[ADP]+[AMP]). moleculaR also enables collective molecular projections, for example of all potassium versus all sodium adducts for spatially-resolved investigation of ion milieus, or for surveys of lipid pathways or other user-defined biomolecular ensembles.

Download Full-text

Evaluation of UV-C Decontamination of Clinical Tissue Sections for Spatially Resolved Analysis by Mass Spectrometry Imaging (MSI)

Analytical Chemistry ◽

10.1021/acs.analchem.0c03430 ◽

2021 ◽

Vol 93 (5) ◽

pp. 2767-2775

Author(s):

Andreas Dannhorn ◽

Stephanie Ling ◽

Steven Powell ◽

Eileen McCall ◽

Gareth Maglennon ◽

...

Keyword(s):

Mass Spectrometry ◽

Mass Spectrometry Imaging ◽

Tissue Sections ◽

Spatially Resolved ◽

Uv C

Download Full-text

Correction to: Sample preparation of formalin-fixed paraffin-embedded tissue sections for MALDI-mass spectrometry imaging

Analytical and Bioanalytical Chemistry ◽

10.1007/s00216-021-03276-w ◽

2021 ◽

Author(s):

Juliane Hermann ◽

Heidi Noels ◽

Wendy Theelen ◽

Michaela Lellig ◽

Setareh Orth-Alampour ◽

...

Keyword(s):

Mass Spectrometry ◽

Sample Preparation ◽

Mass Spectrometry Imaging ◽

Maldi Mass Spectrometry ◽

Tissue Sections ◽

Formalin Fixed Paraffin ◽

Formalin Fixed Paraffin Embedded ◽

Formalin Fixed ◽

Maldi Mass Spectrometry Imaging

Download Full-text

MALDI-TOF mass spectrometry imaging for N-glycans on FFPE tissue sections of mouse NASH liver through Sialic acid Benzylamidation

Glycoconjugate Journal ◽

10.1007/s10719-021-09984-w ◽

2021 ◽

Author(s):

Taiki Saito ◽

Akio Watanabe ◽

Miyako Nakano ◽

Kazuhiko Matsuo

Keyword(s):

Mass Spectrometry ◽

Sialic Acid ◽

Mass Spectrometry Imaging ◽

Ffpe Tissue ◽

Maldi Tof Mass Spectrometry ◽

Tissue Sections ◽

Maldi Tof

Download Full-text

Spatially Resolved Metabolomics Based on Air-Flow-Assisted Desorption Electrospray Ionization–Mass Spectrometry Imaging Reveals Region-Specific Metabolic Alterations in Diabetic Encephalopathy

Journal of Proteome Research ◽

10.1021/acs.jproteome.1c00179 ◽

2021 ◽

Author(s):

Meiling Huo ◽

Zhonghua Wang ◽

Wenqing Fu ◽

Lu Tian ◽

Wanfang Li ◽

...

Keyword(s):

Mass Spectrometry ◽

Electrospray Ionization ◽

Electrospray Ionization Mass Spectrometry ◽

Mass Spectrometry Imaging ◽

Air Flow ◽

Desorption Electrospray Ionization ◽

Ionization Mass ◽

Diabetic Encephalopathy ◽

Metabolic Alterations ◽

Spatially Resolved

Download Full-text

Exemplifying the Screening Power of Mass Spectrometry Imaging over Label-Based Technologies for Simultaneous Monitoring of Drug and Metabolite Distributions in Tissue Sections

CrossRef Listing of Deleted DOIs ◽

10.1177/1087057115623740 ◽

2015 ◽

Vol 21 (2) ◽

pp. 187-193 ◽

Cited By ~ 20

Author(s):

Richard J. A. Goodwin ◽

Anna Nilsson ◽

C. Logan Mackay ◽

John G. Swales ◽

Maria K. Johansson ◽

...

Keyword(s):

Mass Spectrometry ◽

Mass Spectrometry Imaging ◽

Cyclic Peptide ◽

Analysis Data ◽

Resolving Power ◽

High Mass ◽

Whole Body ◽

Ion Cyclotron Resonance ◽

Label Free ◽

Tissue Sections

Mass spectrometry imaging (MSI) provides pharmaceutical researchers with a suite of technologies to screen and assess compound distributions and relative abundances directly from tissue sections and offer insight into drug discovery–applicable queries such as blood-brain barrier access, tumor penetration/retention, and compound toxicity related to drug retention in specific organs/cell types. Label-free MSI offers advantages over label-based assays, such as quantitative whole-body autoradiography (QWBA), in the ability to simultaneously differentiate and monitor both drug and drug metabolites. Such discrimination is not possible by label-based assays if a drug metabolite still contains the radiolabel. Here, we present data exemplifying the advantages of MSI analysis. Data of the distribution of AZD2820, a therapeutic cyclic peptide, are related to corresponding QWBA data. Distribution of AZD2820 and two metabolites is achieved by MSI, which [14C]AZD2820 QWBA fails to differentiate. Furthermore, the high mass-resolving power of Fourier transform ion cyclotron resonance MS is used to separate closely associated ions.

Download Full-text