Chaotic fluctuations in mitochondrial function under oxidative stress. SOD2 concentrations of 0.0216733 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><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. The solutions were then evaluated with the function deval.m in MATLAB R2017a to obtain a time series with constant sampling frequency at 1ms. 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><i>The parameter settings were</i>:Model-simulated time series were calculated with 0.0216733 mM of SOD2, Shunt=0.04, SOD1 9.7 10^-5 mM. External superoxide perturbation: amplitude=1 10^-7 mM, period =30 s.

本数据集所涉氧化应激条件下线粒体动力学的混沌时间序列，已在Kembro等人2018年的研究中得到详尽分析：《线粒体混沌动力学：稳定性边界处的氧化还原-能量行为》，发表于《科学报告》(Scientific Reports)（即将刊出）。

本研究采用的线粒体模型已在项目概述及以下文献中详细说明：Kembro等，2013年，《生物物理期刊》(Biophysical Journal)，104卷(2期)：332-343；Kembro等，2014年，《生理学前沿》(Frontiers in Physiology)，5卷：257。

**分析方法**：采用MATLAB 7.1中的MatCont 2.4工具对ME-R模型(ME-R model)方程进行数值积分，直至获得稳态解（即各时间导数的幅值为-10）。通过模型方程的数值积分，构建了时长至少为6×10⁶毫秒的时间序列。为使瞬态过程完全消散，系统先运行时长为2×10⁸毫秒的计算。随后使用MATLAB R2017a中的deval.m函数对解进行后处理，得到采样频率恒定为1毫秒的时间序列。所有研究均采用我们前期研究中优化的参数配置（同前引Kembro等2013、2014年文献），其中ADPM=0.01mM，该参数设置与状态4呼吸下的活化线粒体状态一致。

本数据集包含两个文本文件，分别存储时间基准与模型输出的变量时间序列，各列从左至右依次为：1) 线粒体钙离子(Mitochondrial Ca²⁺)；2) 线粒体ADP(Mitochondrial ADP)；3) 膜电位(Membrane potential)；4) 线粒体NADH(Mitochondrial NADH)；5) 线粒体氢离子(Mitochondrial H⁺)；6) 线粒体磷酸盐(Mitochondrial Phosphate, Pi)；7) 异柠檬酸(Isocitrate)；8) α-酮戊二酸(a-ketoglutarate)；9) 琥珀酰辅酶A(Succinyl CoA)；10) 琥珀酸(Succinate)；11) 延胡索酸(Fumarate)；12) 苹果酸(Malate)；13) 草酰乙酸(Oxaloacetate)；14) NADPH；15) 线粒体超氧化物(Mitochondrial superoxide)；16) 线粒体外超氧化物(Extramitochondrial superoxide)；17) 线粒体过氧化氢(Mitochondrial hydrogen peroxide)；18) 线粒体外过氧化氢(Extramitochondrial hydrogen peroxide)；19) 线粒体谷胱甘肽(Mitochondrial GSH)；20) 线粒体外谷胱甘肽(Extramitochondrial GSH)；21) 线粒体氧化型谷胱甘肽(Mitochondrial GSSG)；22) 线粒体硫氧还蛋白(Mitochondrial TrxSH₂)；23) 线粒体外硫氧还蛋白(Extramitochondrial TrxSH)；24) 线粒体蛋白二硫化物(Mitochondrial PSSGm)；25) 线粒体外蛋白二硫化物(Extramitochondrial PSSG)

*参数配置如下*：模型模拟的时间序列采用以下参数：超氧化物歧化酶2(SOD2)浓度为0.0216733 mM，分流系数(Shunt)=0.04，超氧化物歧化酶1(SOD1)浓度为9.7×10⁻⁵ mM。外部超氧化物扰动参数：振幅为1×10⁻⁷ mM，周期为30秒。