AUTOMATED ANALYSIS OF NMR SPECTRA OF URINE

尿液核磁共振谱的自动分析

• 批准号: 2023426
• 负责人: Dariusz Wroblewski
• 金额: $ 10万
• 依托单位: ORINCON CORPORATION
• 依托单位国家: 美国
• 财政年份: 1997
• 资助国家: 美国
• 起止时间: 1997-07-01 至 1997-12-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/2023426
• 关键词: biomedical automation; computer program /software; computer system design /evaluation; diagnosis design /evaluation; human tissue; inborn metabolism disorder diagnosis; nuclear magnetic resonance spectroscopy; rapid diagnosis; urinalysis

NMR spectroscopy of urine samples provides accurate and fast detection of a large number of metabolites that are indicative of a variety of inherited metabolic diseases. This diagnostic may be extremely useful both for screening of asymptomatic, healthy children and for rapid diagnosis of sick children under urgent care. However, the interpretation of the NMR spectra remains a manual task requiring a highly skilled, medically trained spectroscopist. If the spectrum is complicated, manual interpretation time can far exceed sample preparation and data acquisition time. In Phase I, ORINCON proposes to design and implement a software package to automate the interpretation of NMR spectra of urine in terms of concentrations of abnormal metabolites. The analysis program will assign the absorption resonances to the metabolic compounds of interest, and the concentrations of metabolites will be obtained from spectral intensities. The identification of metabolites will be aided by a database of reference NMR spectra for a basic set of pure metabolites. It is anticipated that in Phase II of this program ORINCON will implement complete, user-friendly analysis software that will, with minimum intervention by the operator, interpret the NMR spectra in terms of the metabolite concentrations and the probabilities of metabolic disorders associated with the presence of these metabolites. PROPOSED COMMERCIAL APPLICATION Software for automated analysis of NMR spectra will be a commercially viable product with application in newborn screening programs and infant intensive care units for the diagnosis of inherited metabolic diseases, as well as for development of other medical diagnostic tools based on NMR spectroscopy of urine, cerebrospinal fluid, plasma, bile, semen, and amniotic fluid. The algorithms developed here may also find commercial application in atomic and molecular spectroscopy.

尿样的核磁共振波谱提供准确和快速的检测 大量的代谢物表明了各种 遗传性代谢疾病。这一诊断可能非常有用 既可用于无症状健康儿童的筛查，也可用于快速 在紧急护理下的患病儿童的诊断。然而， 核磁共振波谱的解释仍然是一项人工任务，需要 技术精湛，受过医学训练的光谱学家。如果光谱是 复杂的人工解释时间可能远远超过样本 准备时间和数据采集时间。 在第一阶段，ORINCON建议设计和实现一个软件包 为了自动解释尿液的核磁共振波谱 异常代谢物浓度。分析程序将 将吸收共振指定给感兴趣的代谢化合物， 代谢物的浓度将从光谱中获得 强度。代谢物的鉴定将由一项 一组基本纯代谢物的参考核磁共振波谱数据库。 预计在该计划的第二阶段，ORINCON将 实施完整、用户友好的分析软件， 最大限度地减少操作员的干预，用术语解释核磁共振谱 代谢物的浓度和代谢的概率 代谢紊乱与这些代谢物的存在有关的疾病 建议的商业应用 用于自动分析核磁共振波谱的软件将是一种商业 在新生儿筛查项目和婴儿中应用的可行产品 诊断遗传性代谢性疾病的重症监护病房， 以及基于以下内容开发其他医疗诊断工具 尿液、脑脊液、血浆、胆汁、精液和 羊水。这里开发的算法也可能会发现商业 在原子和分子光谱学中的应用。