Chaotic fluctuations in mitochondrial function under oxidative stress. SOD2 concentrations of 0.016 mM

These chaotic time series of mitochondrial dynamics under conditions of oxidative stress are analyzed in detail in Kembro et al. 2018. Mitochondrial chaotic dynamics: Redox-energetic behavior at the edge of stability. Sci. Rep. (in press).<br>Mitochondrial model used was described in the project overview and in detail (Kembro et al. 2013. Biophys J 104(2):332-343; Kembro et al., 2014. Front Physiol 5:257).<br><b>Analytical methods. </b>Numerical integration of the ME-R model equations was performed with MatCont 2.4 in MATLAB 7.1, until steady-state solutions were obtained (i.e., when the magnitude of each time derivative was -10). Time series with duration of at least 6e⁶ ms were constructed by numerical integration of model equations. To allow transient states to vanish, the system was computed during a time lapse of 2 e⁸ ms.All studies were performed using the parameter setting optimized in our previous work (Kembro et al. 2013. Biophys J 104(2):332-343; Kembro et al., 2014. Front Physiol 5:257), with ADPm = 0.01mM, i.e. consistent with energized mitochondria under state 4 respiration.The two .txt file represents the time reference and the time series of variables output of the model, in order from left to right column: 1) Mitochondrial Ca+;2) Mitochondrial ADP; 3) Membrane potential; 4)Mitocondrial NADH; 5) Mitochondrial H+; 6) Mitochondrial Phosfate, Pi; 7) Isocitrate; 8) a-ketoglutarate; 9) Succinyl CoA; 10) Succinate; 11) Fumarate; 12) Malate; 13) Oxaloacetate; 14) NADPH; 15) Mitochondrial superoxide; 16) Extramitochondrial superoxide; 17) Mitochondrial hydrogen peroxide; 18) Extramitochondrial hydrogen peroxide; 19) Mitochondrial GSH; 20) Extramitochondrial GSH; 21)Mitochondrial GSSG; 22) Mitochondrial TrxSH2; 23) ExtramitochondrialTrxSH; 24)Mitochondrial PSSGm; 25) Extramitochondrial PSSG.<br>The parameter settings were:Model-simulated time series were calculated with 0.016 mM of SOD2, Shunt=0.04, SOD1 9.7 10^-5 mM. External superoxide perturbation: amplitude=1 10^-7 mM, period =30 s.

本数据集针对氧化应激条件下的线粒体动力学混沌时间序列展开详细分析，相关研究见于Kembro等人2018年发表于《Scientific Reports》（Sci. Rep.，已录用待刊）的论文《线粒体混沌动力学：稳定性边界处的氧化还原-能量行为》。
本研究使用的线粒体模型已在项目概述中进行简述，并于两项过往研究中详细说明：Kembro等人2013年发表于《Biophysical Journal》（Biophys J）104卷第2期，页码332-343；以及Kembro等人2014年发表于《Frontiers in Physiology》（Front Physiol）第5卷，页码257。
**分析方法**
采用MATLAB 7.1环境下的MatCont 2.4工具，对ME-R模型方程进行数值积分，直至获得稳态解（即各时间导数的幅值降至1×10⁻¹⁰）。通过对模型方程进行数值积分，构建了时长至少为6×10⁶毫秒的时间序列。为使瞬态过程完全衰减消失，系统预先进行了时长为2×10⁸毫秒的计算预热。
所有研究均采用我们前期研究中优化得到的参数配置（Kembro等人2013年《Biophysical Journal》104卷第2期，页码332-343；Kembro等人2014年《Frontiers in Physiology》第5卷，页码257），其中ADPM=0.01mM，该参数配置与状态4呼吸模式下的活化线粒体生理状态相符。
本数据集包含两个TXT文本文件，分别对应时间参考序列与模型输出的变量时间序列，各列从左到右依次为：1) 线粒体钙离子（Mitochondrial Ca²+）；2) 线粒体ADP；3) 膜电位；4) 线粒体NADH；5) 线粒体氢离子（Mitochondrial H+）；6) 线粒体磷酸盐（Pi）；7) 异柠檬酸；8) α-酮戊二酸；9) 琥珀酰辅酶A（Succinyl CoA）；10) 琥珀酸；11) 延胡索酸；12) 苹果酸；13) 草酰乙酸；14) NADPH；15) 线粒体超氧化物；16) 线粒体外超氧化物；17) 线粒体过氧化氢；18) 线粒体外过氧化氢；19) 线粒体谷胱甘肽（GSH）；20) 线粒体外谷胱甘肽；21) 线粒体氧化型谷胱甘肽（GSSG）；22) 线粒体还原型硫氧还蛋白（Trx(SH)₂）；23) 线粒体外硫氧还蛋白（TrxSH）；24) 线粒体谷胱甘肽化蛋白（PSSGm）；25) 线粒体外谷胱甘肽化蛋白（PSSG）。
本次研究的参数配置如下：模型模拟时间序列时采用的参数为：SOD2浓度0.016mM，代谢分流系数Shunt=0.04，SOD1浓度9.7×10⁻⁵mM。外加超氧化物扰动参数：扰动幅值为1×10⁻⁷mM，扰动周期为30秒。