Integration of Metabolomics in Neuroimaging:Software for Brain NMR Spectroscopy

描述(申请人提供)：核磁共振波谱是最有前景的非侵入性方法，用于评估与不同病理相关的大脑生化状态，包括神经退行性和心理障碍、癌症、先天性代谢错误，以及了解代谢物在工作大脑中的作用。然而，将代谢信息与其他神经成像方式结合起来是相当具有挑战性的。化学位移成像技术在大脑中获取体积小至0.4毫升的局部光谱，从而产生包含数百个光谱的数据集。这项拨款申请的目标是增强软件工具，3D交互式化学位移成像(3DiCSI)，用于全面应用于神经成像数据分析。3DiCSI将数据可视化、光谱处理、光谱定位和估计、光谱量化与光谱模式识别技术相结合，如主成分分析和约束非负矩阵分解。拟议的发展将改进原始数据的自动输入，包括所有品牌扫描仪的文件格式，以及与其他神经成像软件工具的接口光谱数据。数据输出的标准化和为该计划提供的多平台支持将促进社区内的数据共享，并允许动态收集光谱数据，以创建带注释的大脑代谢模式数据库。用户扩展程序功能的能力将使3DiCSI成为一个研究平台，提供数据可视化、预处理和多变量分析，可用于增强个人研究人员的分析程序。数据处理例程的并行化和光谱模式发现过程的扩展将允许实时识别和解释与疾病类型和状态相关的异常光谱特征，这对3DiCSI的临床应用尤为重要。生成总结光谱学考试的综合报告对于交流结果也是必不可少的。对自动在线程序更新、下载和改进文件的支持将确保最大限度地利用程序。这些发展将极大地提高3DiCSI的互操作性、可采用率和可用性，并促进光谱学在神经成像应用中的应用。

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.