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Inhalation Toxicology
International Forum for Respiratory Research
Volume 24, 2012 - Issue 1
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Research Article

Computational estimation of errors generated by lumping of physiologically-based pharmacokinetic (PBPK) interaction models of inhaled complex chemical mixtures

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Pages 36-46 | Received 16 Aug 2011, Accepted 18 Oct 2011, Published online: 10 Dec 2011

References

  • Andersen ME, Gargas ML, Clewell HJ 3rd, Severyn KM. 1987. Quantitative evaluation of the metabolic interactions between trichloroethylene and 1,1-dichloroethylene in vivo using gas uptake methods. Toxicol Appl Pharmacol 89:149–157.
  • Aris R& Astarita G. 1989. Continuous lumping of nonlinear chemical kinetics. Chem. Eng. Process: Process Intensification 26:63–69.
  • Béliveau M, Krishnan K. 2005a. Molecular structure-based prediction of the steady-state blood concentrations of inhaled organics in rats. Toxicol Mech Methods 15:361–366.
  • Béliveau M, Krishnan K. 2005b. A spreadsheet program for modeling quantitative structure-pharmacokinetic relationships for inhaled volatile organics in humans. SAR QSAR Environ Res 16:63–77.
  • Béliveau M, Lipscomb J, Tardif R, Krishnan K. 2005. Quantitative structure-property relationships for interspecies extrapolation of the inhalation pharmacokinetics of organic chemicals. Chem Res Toxicol 18:475–485.
  • Béliveau M, Tardif R, Krishnan K. 2003. Quantitative structure-property relationships for physiologically based pharmacokinetic modeling of volatile organic chemicals in rats. Toxicol Appl Pharmacol 189:221–232.
  • Bischoff, PGCKB. 1987a. Lumping strategy. 1. Introductory techniques and applications of cluster analysis. Ind Eng Chem Res 26:1239–1248.
  • Bischoff PGCKB. 1987b. Lumping strategy. 2. System theoretic approach. Ind Eng Chem Res 26:2151–2157.
  • Björkman S. 2003. Reduction and lumping of physiologically based pharmacokinetic models: prediction of the disposition of fentanyl and pethidine in humans by successively simplified models. J Pharmacokinet Pharmacodyn 30:285–307.
  • Brochot C, Tóth J, Bois FY. 2005. Lumping in pharmacokinetics. J Pharmacokinet Pharmacodyn 32:719–736.
  • David JA.2007. Optimal control, estimation, and shape design: Analysis and applications. North Carolina State University.
  • Dennison JE, Andersen ME, Clewell HJ, Yang RS. 2004. Development of a physiologically based pharmacokinetic model for volatile fractions of gasoline using chemical lumping analysis. Environ Sci Technol 38:5674–5681.
  • Dennison JE, Andersen ME, Yang RS. 2003. Characterization of the pharmacokinetics of gasoline using PBPK modeling with a complex mixtures chemical lumping approach. Inhal Toxicol 15:961–986.
  • Dokoumetzidis A, Aarons L. 2009. A method for robust model order reduction in pharmacokinetics. J Pharmacokinet Pharmacodyn 36:613–628.
  • El-Masri HA, Dowd S, Pegram RA, Harrison R, Yavanhxay SJ, Simmons JE, Evans M. 2009. Development of an inhalation physiologically based pharmacokinetic (PBPK) model for 2,2, 4-trimethylpentane (TMP) in male Long-Evans rats using gas uptake experiments. Inhal Toxicol 21:1176–1185.
  • Haddad S, Charest-Tardif G, Krishnan K. 2000. Physiologically based modeling of the maximal effect of metabolic interactions on the kinetics of components of complex chemical mixtures. J Toxicol Environ Health Part A 61:209–223.
  • Haddad S, Tardif R, Charest-Tardif G, Krishnan K. 1999. Physiological modeling of the toxicokinetic interactions in a quaternary mixture of aromatic hydrocarbons. Toxicol Appl Pharmacol 161:249–257.
  • Krishnan K, Haddad S, Béliveau M, Tardif R. 2002. Physiological modeling and extrapolation of pharmacokinetic interactions from binary to more complex chemical mixtures. Environ Health Perspect 110 Suppl 6:989–994.
  • Li G& Rabitz H. 1990. A general analysis of approximate lumping in chemical kinetics. Chem Eng Sci 45:977–1002.
  • Nestorov IA, Aarons LJ, Arundel PA, Rowland M. 1998. Lumping of whole-body physiologically based pharmacokinetic models. J Pharmacokinet Biopharm 26:21–46.
  • Nestorov IA, Aarons LJ, Rowland M. 1997. Physiologically based pharmacokinetic modeling of a homologous series of barbiturates in the rat: a sensitivity analysis. J Pharmacokinet Biopharm 25:413–447.
  • Ward J.1963. Hierarchical grouping to optimize an objective function. J Am Stat Soc 58, 236–244.

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