Automatic 3D Nonlinear Registration of Mass Spectrometry Imaging and Magnetic Resonance Imaging Data

Walid M. Abdelmoula, Michael S. Regan, Begona G.C. Lopez, Elizabeth C. Randall, Sean Lawler, Ann C. Mladek, Michal O. Nowicki, Bianca M. Marin, Jeffrey N. Agar, Kristin Swanson, Tina Kapur, Jann N Sarkaria, William Wells, Nathalie Y.R. Agar

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

Multimodal integration between mass spectrometry imaging (MSI) and radiology-established modalities such as magnetic resonance imaging (MRI) would allow the investigations of key questions in complex biological systems such as the central nervous system. Such integration would provide complementary multiscale data to bridge the gap between molecular and anatomical phenotypes, potentially revealing new insights into molecular mechanisms underlying anatomical pathologies presented on MRI. Automatic coregistration between 3D MSI/MRI is a computationally challenging process due to dimensional complexity, MSI data sparsity, lack of direct spatial-correspondences, and nonlinear tissue deformation. Here, we present a new computational approach based on stochastic neighbor embedding to nonlinearly align 3D MSI to MRI data, identify and reconstruct biologically relevant molecular patterns in 3D, and fuse the MSI datacube to the MRI space. We demonstrate our method using multimodal high-spectral resolution matrix-assisted laser desorption ionization (MALDI) 9.4 T MSI and 7 T in vivo MRI data, acquired from a patient-derived, xenograft mouse brain model of glioblastoma following administration of the EGFR inhibitor drug of Erlotinib. Results show the distribution of some identified molecular ions of the EGFR inhibitor erlotinib, a phosphatidylcholine lipid, and cholesterol, which were reconstructed in 3D and mapped to the MRI space. The registration quality was evaluated on two normal mouse brains using the Dice coefficient for the regions of brainstem, hippocampus, and cortex. The method is generic and can therefore be applied to hyperspectral images from different mass spectrometers and integrated with other established in vivo imaging modalities such as computed tomography (CT) and positron emission tomography (PET).

Original languageEnglish (US)
Pages (from-to)6206-6216
Number of pages11
JournalAnalytical Chemistry
Volume91
Issue number9
DOIs
StatePublished - May 7 2019

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Mass spectrometry
Imaging techniques
Magnetic resonance
Magnetic Resonance Imaging
Brain models
Positron emission tomography
Radiology
Spectral resolution
Neurology
Mass spectrometers
Pathology
Electric fuses
Biological systems
Phosphatidylcholines
Heterografts
Ionization
Tomography
Desorption
Brain
Cholesterol

ASJC Scopus subject areas

  • Analytical Chemistry

Cite this

Abdelmoula, W. M., Regan, M. S., Lopez, B. G. C., Randall, E. C., Lawler, S., Mladek, A. C., ... Agar, N. Y. R. (2019). Automatic 3D Nonlinear Registration of Mass Spectrometry Imaging and Magnetic Resonance Imaging Data. Analytical Chemistry, 91(9), 6206-6216. https://doi.org/10.1021/acs.analchem.9b00854

Automatic 3D Nonlinear Registration of Mass Spectrometry Imaging and Magnetic Resonance Imaging Data. / Abdelmoula, Walid M.; Regan, Michael S.; Lopez, Begona G.C.; Randall, Elizabeth C.; Lawler, Sean; Mladek, Ann C.; Nowicki, Michal O.; Marin, Bianca M.; Agar, Jeffrey N.; Swanson, Kristin; Kapur, Tina; Sarkaria, Jann N; Wells, William; Agar, Nathalie Y.R.

In: Analytical Chemistry, Vol. 91, No. 9, 07.05.2019, p. 6206-6216.

Research output: Contribution to journalArticle

Abdelmoula, WM, Regan, MS, Lopez, BGC, Randall, EC, Lawler, S, Mladek, AC, Nowicki, MO, Marin, BM, Agar, JN, Swanson, K, Kapur, T, Sarkaria, JN, Wells, W & Agar, NYR 2019, 'Automatic 3D Nonlinear Registration of Mass Spectrometry Imaging and Magnetic Resonance Imaging Data', Analytical Chemistry, vol. 91, no. 9, pp. 6206-6216. https://doi.org/10.1021/acs.analchem.9b00854
Abdelmoula, Walid M. ; Regan, Michael S. ; Lopez, Begona G.C. ; Randall, Elizabeth C. ; Lawler, Sean ; Mladek, Ann C. ; Nowicki, Michal O. ; Marin, Bianca M. ; Agar, Jeffrey N. ; Swanson, Kristin ; Kapur, Tina ; Sarkaria, Jann N ; Wells, William ; Agar, Nathalie Y.R. / Automatic 3D Nonlinear Registration of Mass Spectrometry Imaging and Magnetic Resonance Imaging Data. In: Analytical Chemistry. 2019 ; Vol. 91, No. 9. pp. 6206-6216.
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AU - Nowicki, Michal O.

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AU - Swanson, Kristin

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