Spatial probabilistic mapping of metabolite ensembles in mass spectrometry imaging

被引：9

作者：

Abu Sammour, Denis ^{[1
,2
]}

Cairns, James L. ^{[1
,3
]}

Boskamp, Tobias ^{[4
,5
]}

Marsching, Christian ^{[1
,4
]}

Kessler, Tobias ^{[6
,7
]}

Guevara, Carina Ramallo ^{[1
]}

Panitz, Verena ^{[7
,8
,9
]}

Sadik, Ahmed ^{[7
,10
]}

Cordes, Jonas ^{[11
]}

Schmidt, Stefan ^{[1
]}

Mohammed, Shad A. ^{[1
,2
]}

Rittel, Miriam F. ^{[1
,2
]}

Friedrich, Mirco ^{[2
]}

Platten, Michael ^{[2
]}

Wolf, Ivo ^{[11
]}

von Deimling, Andreas

Opitz, Christiane A. ^{[7
,8
,9
]}

Wick, Wolfgang ^{[6
,7
]}

Hopf, Carsten ^{[1
,2
,3
]}

机构：

[1] Mannheim Univ Appl Sci, Ctr Mass Spectrometry & Opt Spect CeMOS, Mannheim, Germany

[2] Heidelberg Univ, Med Fac Mannheim, Mannheim Ctr Translat Neurosci MCTN, Mannheim, Germany

[3] Heidelberg Univ, Med Fac Heidelberg, Heidelberg, Germany

[4] Bruker Dalton GmbH & Co KG, Bremen, Germany

[5] Univ Bremen, Ctr Ind Math, Bremen, Germany

[6] German Canc Res Ctr, Clin Cooperat Unit Neurooncol, German Canc Consortium, Heidelberg, Germany

[7] German Canc Res Ctr, German Consortium Translat Canc Res DKTK, DKTK Metab Crosstalk Canc, Heidelberg, Germany

[8] Heidelberg Univ Hosp, Dept Neurol, Heidelberg, Germany

[9] Heidelberg Univ Hosp, Natl Ctr Tumor Dis, Heidelberg, Germany

[10] Heidelberg Univ, Fac Biosci, Heidelberg, Germany

[11] Mannheim Univ Appl Sci, Fac Comp Sci, Mannheim, Germany

来源：

NATURE COMMUNICATIONS | 2023年 / 14卷 / 01期

关键词：

R PACKAGE; TUMOR; VISUALIZATION; RESOLUTION; PEPTIDES; SAMPLES; MATRIX; ENERGY; NOISE;

D O I：

10.1038/s41467-023-37394-z

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

Mass spectrometry imaging vows to enable simultaneous spatially resolved investigation of hundreds of metabolites in tissues, but it primarily relies on traditional ion images for non-data-driven metabolite visualization and analysis. The rendering and interpretation of ion images neither considers nonlinearities in the resolving power of mass spectrometers nor does it yet evaluate the statistical significance of differential spatial metabolite abundance. Here, we outline the computational framework moleculaR (https://github.com/CeMOS-Mannheim/moleculaR) that is expected to improve signal reliability by data-dependent Gaussian-weighting of ion intensities and that introduces probabilistic molecular mapping of statistically significant nonrandom patterns of relative spatial abundance of metabolites-of-interest in tissue. moleculaR also enables cross-tissue statistical comparisons and collective molecular projections of entire biomolecular ensembles followed by their spatial statistical significance evaluation on a single tissue plane. It thereby fosters the spatially resolved investigation of ion milieus, lipid remodeling pathways, or complex scores like the adenylate energy charge within the same image.

引用

页数：15

共 57 条

[1] Quantitative Mass Spectrometry Imaging Reveals Mutation Status-independent Lack of Imatinib in Liver Metastases of Gastrointestinal Stromal Tumors [J].