Experimental and chemometric studies of cell membrane permeability

IF 3.7 2区化学 Q2 AUTOMATION & CONTROL SYSTEMS Chemometrics and Intelligent Laboratory Systems Pub Date : 2016-05-15 DOI:10.1016/j.chemolab.2016.03.010

Yong Liu , Tao Ran , Esvieta Tenorio-Borroto , Shaoxun Tang , Alejandro Pazos , Zhiliang Tan , Humberto González-Díaz

{"title":"Experimental and chemometric studies of cell membrane permeability","authors":"Yong Liu , Tao Ran , Esvieta Tenorio-Borroto , Shaoxun Tang , Alejandro Pazos , Zhiliang Tan , Humberto González-Díaz","doi":"10.1016/j.chemolab.2016.03.010","DOIUrl":null,"url":null,"abstract":"<div>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    validation series). In addition, we also reported a simulation of ternary phase diagram with predicted values of cell permeability at various experimental conditions.</div>","PeriodicalId":9774,"journal":{"name":"Chemometrics and Intelligent Laboratory Systems","volume":null,"pages":null},"PeriodicalIF":3.7000,"publicationDate":"2016-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.chemolab.2016.03.010","citationCount":"8","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemometrics and Intelligent Laboratory Systems","FirstCategoryId":"94","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0169743916300466","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"AUTOMATION & CONTROL SYSTEMS","Score":null,"Total":0}

引用次数: 8

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 (t_k and ′t_k) as input variables V_q(t_k) 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.

查看原文

微信好友朋友圈 QQ好友复制链接

本刊更多论文

细胞膜通透性的实验和化学计量学研究

细胞膜通透性(P)控制着分子或离子通过细胞膜的运输。在本研究中，我们测量了不同初始表面张力(ST)和比表面积(SSA)水平下的瘤胃微生物P。本研究中P的数据和已发表的pH、氨浓度、中性洗涤纤维消化率和产气量在两个时间尺度(tk和' tk)上的数据作为输入变量Vq(tk)，建立预测模型。首次利用Box-Jenkins算子和协方差摄动理论算子的思想建立了预测细胞渗透率变化的模型。最佳模型具有敏感性、特异性和准确性;0.89, MCC >77,781例(训练+验证系列)0.78。此外，我们还报道了在不同实验条件下的三元相图与细胞渗透率预测值的模拟。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文去求助

来源期刊

Chemometrics and Intelligent Laboratory Systems 工程技术-分析化学

CiteScore

7.50

自引率

7.70%

发文量

169

审稿时长

3.4 months

期刊介绍： Chemometrics and Intelligent Laboratory Systems publishes original research papers, short communications, reviews, tutorials and Original Software Publications reporting on development of novel statistical, mathematical, or computer techniques in Chemistry and related disciplines. Chemometrics is the chemical discipline that uses mathematical and statistical methods to design or select optimal procedures and experiments, and to provide maximum chemical information by analysing chemical data. The journal deals with the following topics: 1) Development of new statistical, mathematical and chemometrical methods for Chemistry and related fields (Environmental Chemistry, Biochemistry, Toxicology, System Biology, -Omics, etc.) 2) Novel applications of chemometrics to all branches of Chemistry and related fields (typical domains of interest are: process data analysis, experimental design, data mining, signal processing, supervised modelling, decision making, robust statistics, mixture analysis, multivariate calibration etc.) Routine applications of established chemometrical techniques will not be considered. 3) Development of new software that provides novel tools or truly advances the use of chemometrical methods. 4) Well characterized data sets to test performance for the new methods and software. The journal complies with International Committee of Medical Journal Editors'' Uniform requirements for manuscripts.