SOFTWARE DISTRIBUTION: TCASIM, TCACALC, TCAFLUX

这个子项目是许多利用资源的研究子项目之一 由NIH/NCRR资助的中心拨款提供。子项目的主要支持 而子项目的主要调查员可能是由其他来源提供的， 包括其它NIH来源。 列出的子项目总成本可能 代表子项目使用的中心基础设施的估计数量， 而不是由NCRR赠款提供给子项目或子项目工作人员的直接资金。 该资源已开发了三个程序，并每天使用。tcaSIM允许模拟复杂的代谢网络，包括柠檬酸循环、糖酵解、代谢生成和回补。操作员控制13 C标记的所有方面和所有路径中的通量。该程序可生成氨基酸、酮和葡萄糖等多种代谢物的13 C NMR和HMQC-TOCSY光谱以及质谱和串联质谱。配套程序tcaCALC用于分析实验数据，根据观察到的核磁共振或质谱确定与tcaSIM中使用的相同的代谢参数。 这两个程序都检查通过路径的相对通量，而tcaFLUX根据13 C NMR和HMQC-TOCSY光谱的时间序列确定绝对通量。 tcaSIM、tcaCALC和tcaFLUX的详细情况已在以前的进度报告中介绍。

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. Three programs have been developed by the Resource and are used on a daily basis. tcaSIM allows the simulation of complex metabolic networks including the citric acid cycle, glycolysis, gluconeogenesis and anaplerosis. The operator controls all aspects of 13C labeling and fluxes in all pathways. The program generates 13C NMR and HMQC-TOCSY spectra, as well as mass and tandem mass spectra, of numerous metabolites such as amino acids, ketones and glucose. The companion program tcaCALC is used to analyze experimental data, determining the same metabolic parameters as used in tcaSIM from observed NMR or mass spectra. Both these rograms examine the relative flux through pathways, while tcaFLUX determines absolute fluxes from time series of 13C NMR and HMQC-TOCSY spectra. The details of tcaSIM, tcaCALC, and tcaFLUX have been described in previous progress reports.