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首页> 外文期刊>RSC Advances >Mitoprotective activity of oxidized carbon nanotubes against mitochondrial swelling induced in multiple experimental conditions and predictions with new expected-value perturbation theory
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Mitoprotective activity of oxidized carbon nanotubes against mitochondrial swelling induced in multiple experimental conditions and predictions with new expected-value perturbation theory

机译：多重实验条件下诱导线粒体肿瘤的氧化碳纳米管的疏水性活性与新预期值扰动理论的预测

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摘要

Mitochondrial Permeability Transition Pore (MPTP) is involved in neurodegeneration, hepatotoxicity, cardiac necrosis, nervous and muscular dystrophies. We used different experimental protocols to determine the mitoprotective activity (% P) of different carbon nanotubes (CNT) against mitochondrial swelling in multiple boundary conditions (b(j)). The experimental boundary conditions explored included different sub-sets of combinations of the following factors b(0) = three different mitochondrial swelling assays using the MPT-inductor (Ca2+, Fe3+, H2O2) combined or not with a second MPT-inductor and swelling control assays using MPT-inhibitor (CsA, RR, EGTA), b(1) = exposure time (0-600 s), and b(2) = CNT concentrations (0-5 mg ml(-1)). Other boundary conditions (bk) changed were the CNT structural parameters b(3) = CNT type (SW, SW + DW, MW), b(4) = CNT functionalization type (H, OH, COOH). We also changed different of CNT like b(5) = molecular weight/functionalization ratio (W-min/W-max) or b(6) = maximal and minimal diameter (Dmin/Dmax) as physic-chemical properties (V-k). Next, we employed chemoinformatics ideas to develop a new Perturbation Theory (PT) model able to predict the % P of CNT in multiple experimental conditions. We investigated different output functions of the absorbance 'f(epsilon(ij)) used in PL4/PL5 methods like (epsilon(ij), 1/epsilon(ij), 1/epsilon(2)(ij), or -log epsilon(ij)) as alternative outputs of the model. The inputs are in the form an additive functions with linear/non-linear terms. The first term is a function 0f(h3iji) of the average absorbance (expected value) in different assays (b(j)). The concentration dependent terms are linear functions of concentration, or hill-shaped curves similar to PL4/PL5 functions (used in doseresponse analysis). The CNT structure perturbation terms are linear/non-linear functions of Box-Jenkins operators (DVkj). The DVkj are moving averages (deviations) of the V-k of the CNT with respect to their expected values hVkji. The best model found predicted the values of absorbance (measure of mitoprotective activity vs. mitochondrial swelling) with regression coefficient R-2 = 0.997 for > 6000 experimental data points (q(2) = 0.994). Last, we used the model to carry out a simulation of the changes on mitoprotective activity for CNT family after one increase of 1-10% of the (min)Wi and (max)Di of CNT.
机译：线粒体渗透性过渡孔（MPTP）参与神经变性，肝毒性，心脏坏死，神经和肌肉营养不良。我们使用不同的实验方案来确定多个边界条件（B（J））中对不同碳纳米管（CNT）的不同碳纳米管（CNT）的分离活性（％P）。探索的实验边界条件包括以下因子B（0）=使用MPT-Incuctor（Ca2 +，Fe3 +，H 2 O 2）的三种不同的线粒体溶胀测定的不同子组合组合，而不是用第二MPT电感器和溶胀控制使用MPT抑制剂（CSA，RR，EGTA），B（1）=暴露时间（0-600秒）和B（2）= CNT浓度（0-5mg（-1））测定。其他边界条件（BK）改变为CNT结构参数B（3）= CNT型（SW，SW + DW，MW），B（4）= CNT官能化型（H，OH，COOH）。我们还改变了CNT（5）=分子量/官能化比（W-MIN / W-MAX）或B（6）=最大和最小直径（DMIN / DMAX）作为物理化学性质（V-K）的不同。接下来，我们采用化学信息学的想法来开发一种能够在多种实验条件下预测CNT％P的新扰动理论（PT）模型。我们调查了PL4 / PL5方法中使用的吸光度的不同输出功能（Epsilon（IJ），1 / Epsilon（IJ），1 / epsilon（2）（IJ），或-log epsilon （IJ））作为模型的替代输出。输入中的输入是一种具有线性/非线性术语的添加功能。第一项是不同测定中的平均吸光度<ε（IJ）>（预期值）的函数0F（H3iji）（B（J））。浓度依赖性术语是浓度的线性函数，或类似于PL4 / PL5功能的山形曲线（用于Doseresponse分析）。 CNT结构扰动术语是Box-Jenkins运算符（DVKJ）的线性/非线性函数。 DVKJ是关于其预期值HVKJI的CNT的V-K的平均（偏差）。找到的最佳模型预测了回归系数R-2 = 0.997的吸光度值（Mitecotentive活性与线粒体溶胀的测量），用于> 6000实验数据点（Q（2）= 0.994）。最后，我们使用该模型进行CNT家族在（MIN）Wi和（MAX）DI的1-10％（MIN）DI的含量后的CNT家族的影响变化的模拟。

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  • 来源
    《RSC Advances》 |2015年第125期|共17页
  • 作者

    Gonzalez-Durruthy Michael; Monserrat Jose Maria; Alberici Luciane C.; Naal Zeki; Curti Carlos; Gonzalez-Diaz Humberto;

  • 作者单位

    Univ Fed Rio Grande FURG Inst Biol Sci ICB BR-90610000 Porto Alegre RS Brazil;

    Univ Fed Rio Grande FURG Inst Biol Sci ICB BR-90610000 Porto Alegre RS Brazil;

    Univ Sao Paulo Fac Pharm Ribeirao Preto Dept Phys Chem BR-14040903 Ribeirao Preto SP Brazil;

    Univ Sao Paulo Fac Pharm Ribeirao Preto Dept Phys Chem BR-14040903 Ribeirao Preto SP Brazil;

    Univ Sao Paulo Fac Pharm Ribeirao Preto Dept Phys Chem BR-14040903 Ribeirao Preto SP Brazil;

    Univ Basque Country UPV EHU Fac Sci &

    Technol Dept Organ Chem 2 Leioa 48940 Bizkaia Spain;

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  • 正文语种 eng
  • 中图分类 化学;
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