Integration of Metabolomics in Neuroimaging:Software for Brain NMR Spectroscopy

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DESCRIPTION (provided by applicant): NMR spectroscopy is the most promising non-invasive method for assessing the biochemical state of the brain associated with different pathologies, including neurodegenerative and psychological disorders, cancer, inborn errors of metabolism, as well as for understanding the role of metabolites in the working brain. Incorporating metabolic information with the other modalities of neuro-imaging, however, is quite challenging. Chemical Shift Imaging acquires localized spectra in the brain in volumes as small as 0.4 cc, resulting in datasets containing hundreds of spectra. The goal of this grant application is to enhance software tool, 3D interactive Chemical Shift Imaging (3DiCSI), for comprehensive application to neuro-imaging data analysis. 3DiCSI combines data visualization, spectral processing, spectral localization and estimation, and spectral quantification together with spectral pattern recognition techniques, such as Principal Component Analysis and constrained Non-negative Matrix Factorization. The proposed developments will improve the automatic importation of raw data by including file formats from all scanner brands as well as interface spectroscopy data with other neuro-imaging software tools. The standardization of data exportation and providing multi- platform support for the program will promote the data-sharing in the community and allow for dynamic collection of spectral data for creation of annotated database of brain metabolic patterns. The ability for a user to extend the functionality of the program will render 3DiCSI as a research platform providing data visualization, preprocessing and multivariate analysis which can be used to enhance an individual researcher's analytical procedures. Parallelization of the data processing routines and extending the spectral pattern discovery procedures will allow for real time identification and interpretation of aberrant spectral signature, related to type and state of disease, particularly important for the clinical application of 3DiCSI. Generation of comprehensive report summarizing the spectroscopy exam will be also essential for communicating the results. Support for automatic online program update download and improved documentation will ensure utilization of the program to its greatest potential. These developments will greatly improve the interoperability, adoptability and usability of 3DiCSI and facilitate the utilization of spectroscopy in neuro-imaging applications.