SOFTWARE DISTRIBUTION: TCASIM, TCACALC, TCAFLUX

这个子项目是利用资源的许多研究子项目之一。 由NIH/NCRR资助的中心拨款提供。对子项目的主要支持 子项目的首席调查员可能是由其他来源提供的， 包括美国国立卫生研究院的其他来源。为子项目列出的总成本可能 表示该子项目使用的中心基础设施的估计数量， 不是由NCRR赠款提供给次级项目或次级项目工作人员的直接资金。 该资源开发了三个方案，每天都在使用。TcaSIM可以模拟复杂的代谢网络，包括柠檬酸循环、糖酵解、糖异生和失活。操作者控制所有途径中13C标记和通量的所有方面。该程序生成氨基酸、酮和葡萄糖等多种代谢物的13C核磁共振和HMQC-TOCSY谱，以及质谱图和串联质谱图。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图确定与tcaSIM中使用的相同的代谢参数。这两个程序图都检查通过路径的相对通量，而tcaFLUX则从13CNMR和HMQC-TOCSY谱的时间序列中确定绝对通量。TcaSIM、tcaCALC和tcaFLUX的详细信息已在以前的进度报告中描述。

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.