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Experimental and chemometric studies of cell membrane permeability

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Title
Experimental and chemometric studies of cell membrane permeability
Author(s)
Liu, Yong
Ran, Tao
Tenorio-Borroto, Esvieta
Tang, Shaoxun
Pazos, A.
Tan, Zhiliang
González-Díaz, Humberto
Date
2016-03-18
Citation
Liu Y, Ran T, Tenorio-Barroto E, Tang S, Pazos A, Tan Z, et al. Experimental and chemometric studies of cell membrane permeability. Chemometrics Intelligent Lab Sys. 2016;154:1-6
Abstract
[Abstract] Cell membrane permeability (P) governs the molecules or ions to transport through the cell membrane. In this study, we measured P of ruminal microbes in different initial levels of surface tension (ST) and specific surface area (SSA). Data of P in present study and published data of pH, ammonia concentration, digestibility of neutral detergent fibre and gas production in two time scales (tk and ′tk) as input variables Vq(tk) were took into consideration for developing a predictive model. The ideas of Box–Jenkins Operators and Covariance Perturbation Theory Operators were used for the first time to establish a model to predict the variations of cellular permeability. The best model presented sensitivity, specificity and accuracy of > 0.89, and MCC > 0.78 for 77,781 cases (training + validation series). In addition, we also reported a simulation of ternary phase diagram with predicted values of cell permeability at various experimental conditions.
Keywords
Cell membrane permeability
Moving averages
Covariance
Perturbation theory
Predictive model
 
Editor version
http://dx.doi.org/10.1016/j.chemolab.2016.03.010

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