Integration of Metabolomics in Neuroimaging:Software for Brain NMR Spectroscopy

描述（由申请人提供）：NMR光谱是最有前途的非侵入性方法，用于评估与不同病理相关的大脑生化状态，包括神经退行性疾病和心理障碍、癌症、先天性代谢缺陷，以及用于了解代谢物在工作大脑中的作用。然而，用其他形式的神经成像来解释代谢信息是相当具有挑战性的。化学位移成像在大脑中采集体积小至0.4 cc的局部光谱，从而产生包含数百个光谱的数据集。这项资助申请的目标是增强软件工具，3D交互式化学位移成像（3DiCSI），全面应用于神经成像数据分析。3DiCSI将数据可视化、光谱处理、光谱定位和估计以及光谱量化与光谱模式识别技术（如主成分分析和约束非负矩阵分解）相结合。拟议的开发将通过包括所有扫描仪品牌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来改进原始数据的自动导入。数据输出的标准化和为该计划提供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大脑代谢模式的注释数据库。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。数据处理例程的简化和扩展光谱模式发现程序将允许与疾病的类型和状态相关的异常光谱特征的真实的时间识别和解释，这对于3DiCSI的临床应用特别重要。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。支持自动在线程序更新下载和改进的文档将确保程序的最大潜力。这些发展将大大提高3DiCSI的互操作性、可采用性和可用性，并促进光谱学在神经成像应用中的利用。

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.