SOFTWARE DISTRIBUTION: TCASIM, TCACALC, TCAFLUX

这个子项目是许多研究子项目中的一个 由NIH/NCRR资助的中心赠款提供的资源。子项目和 研究者（PI）可能从另一个NIH来源获得了主要资金， 因此可以在其他CRISP条目中表示。所列机构为 研究中心，而研究中心不一定是研究者所在的机构。 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NMR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溶质通量。 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. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. 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 bsolute 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.