Application of a hybrid computational fluid dynamics and physiologically based inhalation model for interspecies dosimetry extrapolation of acidic vapors in the upper airways

Toxicology and Applied Pharmacology

Volumn 152, Issue 1, 1998, Pages 211-231

  Frederick, Clay B ^a   Bush, Michele L ^b   Lomax, Larry G ^a   Black, Kurt A ^a   Finch, Lavorgie ^a   Kimbell, Julia S ^c   Morgan, Kevin T ^c   Subramaniam, Ravi P ^c   Morris, John B ^d   Ultman, James S ^b  

^a ROHM AND HAAS COMPANY   (United States)

^b The Pennsylvania State University   (United States)

^c CIIT CENTERS FOR HEALTH RESEARCH   (United States)

^d UNIVERSITY OF CONNECTICUT   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACRYLIC ACID; VOLATILE AGENT;

ANIMAL CELL; ANIMAL EXPERIMENT; ANIMAL TISSUE; ARTICLE; COMPUTER MODEL; DOSE CALCULATION; DOSE RESPONSE; DRUG EFFECT; FEMALE; FLOW RATE; HISTOPATHOLOGY; INHALATIONAL DRUG ADMINISTRATION; MATHEMATICAL COMPUTING; NONHUMAN; NOSE CAVITY; OLFACTORY EPITHELIUM; RAT; SIMULATION; SPECIES DIFFERENCE; UPPER RESPIRATORY TRACT;

EID: 0031737679     PISSN: 0041008X     EISSN: None     Source Type: Journal    
DOI: 10.1006/taap.1998.8492     Document Type: Article

References (58)

1. Black, K. A., and Finch, L. (1995). Acrylic acid oxidation and tissue-to-blood partition coefficients in rat tissues. Toxicol. Lett. 78, 73-78.
2. Bodem, C. R., Lampton, L. M., Miller, P., Tarka, E. F., and Everett, E. D. (1983). Endobronchial pH. Am. Rev. Respir. Dis. 127, 39-41.
3. Brass, E. P. (1994). Overview of coenzyme A metabolism and its role in cellular toxicity. Chem.-Biol. Interact. 90, 203-214.
4. Bush, M. L., Frederick, C. B., Kimbell, J. S., and Ultman, J. S. (1998). A CFD-PBPK hybrid model for simulating gas and vapor uptake in the rat nose. Toxicol. Appl. Pharmacol. 150, 133-145.
5. Cussler, E. L. (1997). Diffusion: Mass Transfer in Fluid Systems, 2nd ed., pp. 101-244. Cambridge University Press, Cambridge.
6. Custodio, J. B. A., Palmeira, C. M., Moreno, A. J., and Wallace, K. B. (1998). Acrylic acid induces the glutathione-independent mitochondrial permeability transition in vitro. Toxicol. Sci. 43, 19-27.
7. Delp, M. D., Manning, R. O., Bruckner, J. V., and Armstrong, R. B. (1991). Distribution of cardiac output during diurnal changes of activity in rats. Am. J. Physiol. 261, H1487-H1493.
8. DeSesso, J. M. (1993). The relevance to humans of animal models for inhalation studies of cancer in the nose and upper airways. Quality Assurance: Good Practice, Regulation, and Law 2, 213-231.
9. Dorato, M. A., Carlson, K. H., and Copple, D. L. (1983). Pulmonary mechanics in conscious Fischer 344 rats: Multiple evaluations using nonsurgical techniques. Toxicol. Appl. Pharmacol. 68, 344-353.
10. Environmental Protection Agency (1992). Dermal Exposure Assessment: Principles and Applications, pp. 4.10, 5.34. EPA/600/8-91/011B, Office of Research and Development, Washington, D.C.
11. Environmental Protection Agency (1994). Methods for Derivation of Inhalation Reference Concentrations and Application of Inhalation Dosimetry, pp. 4.28-4.29. EPA/600/8-90/066F, Office of Research and Development, Washington, D.C.
12. Frederick, C. B., Morris, J. B., Kimbell, J. S., Morgan, K. T., and Scherer, P. T. (1994). Comparison of four biologically based dosimetry models for the deposition of rapidly metabolized vapors in the rodent nasal cavity. Inhal. Toxicol. 6(Suppl.), 135-157.
13. Frederick, C. B., Potter, D. W., Chang-Mateu, M. I., and Andersen, M. E. (1992). A physiologically based pharmacokinetic and pharmacodynamic model to describe oral dosing of rats with ethyl acrylate and its implications for risk assessment. Toxicol. Appl. Pharmacol. 114, 246-260.
14. Gargas, M. L., Burgess, R. J., Voisard, D. E., Cason, G. H., and Andersen, M. E. (1989). Partition coefficients of low molecular weight volatile chemicals in various liquids and tissues. Toxicol. Appl. Pharmacol. 98, 87-99.
15. Gerde, P., and Dahl, A. R. (1991). A model for the uptake of inhaled vapors in the nose of the dog during cyclic breathing. Toxicol. Appl. Pharmacol. 109, 276-288.
16. George, S. C., Babb, A. L., Deffebach, M. E., and Hlastala, M. P. (1996). Diffusion of nonelectrolytes in the canine trachea: Effect of tight junction. J. Appl. Physiol. 80, 1687-1695.
17. Godo, M. N., Morgan, K. T., Richardson, R. B., and Kimbell, J. S. (1995). Reconstruction of complex passageways for simulations of transport phenomena: Development of graphical user interface for biological applications. Comp. Meth. Prog. Biomed. 47, 97-112.
18. Gross, E. A., and Morgan, K. T. (1992). Architecture of nasal passages and larynx. In Comprehensive Treatise on Pulmonary Toxicology. Volume I. Comparative Biology of the Normal Lung (R. A. Parent, Ed.), pp. 7-25. CRC Press, Boca Raton, FL.
19. Gross, E. A., Swenberg, J. A., Fields, S., and Popp, J. A. (1982). Comparative morphometry of the nasal cavity in rats and mice. J. Anat. 135, 83-88.
20. Hahn, I., Scherer, P. W., and Mozell, M. M. (1993). Velocity profiles measured for air flow through a large-scale model of the human nasal cavity. J. Appl. Physiol. 75, 2273-2287.
21. Hanna, L. M., Frank, R., and Scherer, P. W. (1989). Absorption of soluble gases and vapors in the respiratory system. In Respiratory Physiology (H. K. Chang and M. Paiva, Eds.), pp. 277-316. Marcel-Dekker, New York.
22. Hatch, G. E. (1992). Comparative biochemistry of airway lining fluid. In Comparative Biology of the Normal Lung (R. A. Parent, Ed.), pp. 617-632. CRC Press, Boca Raton, FL.
23. Holma, B. (1985). Influence of buffer capacity and pH-dependent rheological properties of respiratory mucus on health effects due to acidic pollution. Sci. Total Environ. 41, 101-123.
24. International Commission of Radiological Protection (ICRP) (1975). No. 23: Report of the Task Group on Reference Man, pp. 235-237, 346. Pergamon Press, New York.
25. Keenan, C. M., Kelly, D. P., and Bogdanffy, M. S. (1990). Degeneration and recovery of rat olfactory epithelium following inhalation of dibasic esters. Fundam. Appl. Toxicol. 15, 381-393.
26. Keyhani, K., Scherer, P. W., and Mozell, M. M. (1995). Numerical simulation of airflow in the human nasal cavity. J. Biomed. Engr. 117, 429-442.
27. Kimbell, J. S., Gross, E. A., Joyner, D. R., Godo, M. N., and Morgan, K. T. (1993). Application of computational fluid dynamics to regional dosimetry of inhaled chemicals in the upper respiratory tract of the rat. Toxicol. Appl. Pharmacol. 121, 253-263.
28. Kimbell, J. S., Gross, E. A., Richardson, R. B., Conolly, R. B., and Morgan, K. T. (1997). Correlation of regional formaldehyde flux predictions with the distribution of formaldehyde-induced squamous metaplasia in F344 rat nasal passages. Mutat. Res. 380, 143-154.
29. Kushmerick, M. J., and Podolsky, R. J. (1969). Ionic mobility in muscle cells. Science (Washington, D.C.) 166, 1297-1298.
30. Lang, J. (1989). Clinical Anatomy of the Nose, Nasal Cavity, and Paranasal Sinuses. pp. 42-45, 112-119. Thieme, Stuttgart.
31. Lee, K.-P., Valentine, R., and Bogdanffy, M. S. (1992). Nasal lesion development and reversibility in rats exposed to aerosols of dibasic esters. Toxicol. Pathol. 20, 376-393.
32. Lomax, L. G., Brown, D. W., and Frederick, C. B. (1994). Regional histopathology of the mouse nasal cavity following two weeks of exposure to acrylic acid for either 6 or 22 hours per day. Inhal. Toxicol. 6(Suppl.), 445-449.
33. Lyman, W. J., Reehl, W. F., and Rosenblatt, D. H. (1990). Handbook of Chemical Property Estimation Methods: Environmental Behavior of Organic Compounds. pp. 15.9-15.32. American Chemical Society, Washington, D.C.
34. Mery, S., Gross, E. A., Joyner, D. R., Godo, M., and Morgan, K. T. (1994). Nasal diagrams: A tool for recording the distribution of nasal lesions in rats and mice. Toxicol. Pathol. 22, 353-372.
35. Miller, F. J., Overton, J. H., Kimbell, J. S., and Russell, M. L. (1993). Regional respiratory tract absorption of inhaled reactive gases. In Toxicology of the Lung, 2nd. ed. (D. E. Gardner, J. D. Crapo, and R. O. McClellan, Eds.), pp. 485-525. Raven Press, New York.
36. Miller, R. R., Ayres, J. A., Jersey, G. C., and McKenna, M. J. (1981). Inhalation toxicity of acrylic acid. Fundam. Appl. Toxicol. 1, 271-277.
37. Miller, R. R., Letts, R. L., Potts, W. J., and McKenna, M. J. (1980). Improved methodology for generating controlled test atmospheres. Am. Ind. Hyg. Assoc. J. 41, 271-277.
38. Miller, R. R., Young, J. T., Kociba, R. J., Keyes, D. G., Bodner, K. M., Calhoun, L.L., and Ayres, J. A. (1985). Chronic toxicity and oncogenicity bioassay of inhaled ethyl acrylate in Fischer 344 rats and B6C3F1 mice. Drug Chem. Toxicol. 8, 1-42.
39. Morgan, K. T., Jiang, X.-Z., Patterson, D. L., and Gross, E. A. (1984). The nasal mucociliary apparatus. Am. Rev. Respir. Dis. 130, 275-281.
40. Morgan, K. T., Kimbell, J. S., Monticello, T. M., Patra, A. L., and Fleishman, A. (1991). Studies of inspiratory airflow patterns in the nasal passages of the F344 rat and rhesus monkey using nasal molds: Relevance to formaldehyde toxicity. Toxicol. Appl. Pharmacol. 110, 223-240.
41. Morgan, K. T., and Monticello, T. M. (1990). Airflow, gas deposition, and lesion distribution in the nasal passages. Environ. Health Perspect. 85, 209-218.
42. Morris, J. B. (1991). Deposition of acetone vapor in the upper respiratory tract of the B6C3F1 mouse. Toxicol. Lett. 56, 187-196.
43. Morris, J. B., and Frederick, C. B. (1994). Upper respiratory tract uptake of acrylate ester and acid vapors. Inhal. Toxicol. 7, 557-574.
44. Morris, J. B., Hassett, D. N., and Blanchard, K. T. (1993). A physiologically based pharmacokinetic model for nasal uptake and metabolism of nonreactive vapors. Toxicol. Appl. Pharmacol. 123, 120-129.
45. Morris, J. B., and Smith, F. A. (1982). Regional deposition and absorption of inhaled hydrogen fluoride in the rat. Toxicol. Appl. Pharmacol. 62, 81-89.
46. Nakashima, T., Kimmelman, C. P., and Snow, J. B. (1984). Structure of human fetal and adult olfactory neuroepithelium. Arch. Otolaryngol. 110, 641-646.
47. Nakashima, T., Tanaka, M., Inamitsu, M., and Uemura, T. (1991). Immunohistopathology of variations of human olfactory mucosa. Eur. Arch. Oto-Rhino-Laryngol. 248, 370-375.
48. National Toxicology Program (1992). NTP technical report on toxicity studies of formic acid administered by inhalation for F344/N rats and B6C3F1 mice. NIH Publication 92-3342.
49. Reininghaus, W., Koestner, A., and Klimisch, H.-K. (1991). Chronic toxicity and oncogenicity bioassay of inhaled methyl acrylate and n-butyl acrylate in Sprague-Dawley rats. Food Chem. Toxicol. 29, 329-339.
50. Sherrat, H. S. A. (1985). Acyl-CoA esters of xenobiotic carboxylic acids as biochemically active intermediates. Biochem. Soc. Trans. 13, 856-858.
51. Stott, W. T., Ramsey, J. C., and McKenna, M. J. (1986). Absorption of chemical vapors by the upper respiratory tract of rats. In Toxicology of the Nasal Passages (C. S. Barrow, Ed.), pp. 191-210. Hemisphere, Washington, D.C.
52. Subramaniam, R., Richardson, R. B., Morgan, K. T., Kepler, G., Kimbell, J. S., and Guilmette, R. A. (1998). Computational fluid dynamics simulations of inspiratory airflow in the human nose and nasopharynx. Inhal. Toxicol. 10, 91-120.
53. Swift, D. L., and Proctor, D. F. (1977). Access of air to the respiratory tract. In Respiratory Defense Mechanisms (J. D. Brain, D. F. Proctor, and L. M. Reid, Eds.), pp. 63-93. Marcel Dekker, New York.
54. Talamo, B. R., Feng, W.-H., and Stockmayer, M. (1995). Human olfactory epithelium: Normal patterns and types of lesions found in the general population. Inhal. Toxicol. 6(Suppl.), 249-275.
55. Trela, B. A., and Bogdanffy, M. S. (1991). Cytotoxicity of dibasic esters (DBE) metabolites in rat nasal explants. Toxicol. Appl. Pharmacol. 110, 259-267.
56. Trela, B. A., Frame, S. R., and Bogdanffy, M. S. (1992). A microscopic and ultrastructural evaluation of dibasic esters (DBE) toxicity in rat nasal explants. Exp. Mol. Pathol. 56, 208-218.
57. Uraih, L. C., and Maronpot, R. R. (1990). Normal histology of the nasal cavity and application of special techniques. Environ. Health Perspect. 85, 187-208.
58. Williams, L. R., and Leggett, R. W. (1989). Reference values for resting blood flow to organs of man. Clin. Phys. Meas. 10, 187-217.