2.0 Literature Review
2.1 General Model Review
2.2 Exposure & Impact Review
2.2.1 Reference List
2.2.2 Exposure Models
2.2.3 Exposure Databases
2.2.1 Reference List by Category
PubMed Search Date: November 7, 2000Categories:
Table 2.2.1 Chemical-Specific PBPK Models for Dose to Embryo/FetusTable 2.2.2 Chemical-Specific Biologically Based Dose-Response Models for Pregnancy
Table 2.2.3 Chemical-Specific PBPK Models for Neonatal Exposure via Lactation
Table 2.2.4 Basic Biology Data Useful in PBPK Model Development
Table 2.2.5 General Models and Dosimetry Considerations Useful in PBPK Model Development
Table 2.2.6 Reviews of PK/PD in Developmental Toxicology
Table 2.2.7 Role for kinetics/dosimetry in Children’s Health Issues
Table 2.2.8 PD Models of the Endocrine System
Table 2.2.9 Dose-Response Modeling for Endocrine Active Compounds
Table 2.2.10 Metabolizing Enzymes as a Function of Age or Gestational Development (Reviews)
Table 2.2.11 Standard Kinetics during Pregnancy or Lactation (only selected articles from a large database captured during PBPK searches)
Table 2.2.1 Chemical-Specific PBPK Models for Dose to Embryo/Fetus
1. Clarke, D. O., Elswick, B. A., Welsch, F., and Conolly, R. B. (1993). Pharmacokinetics of 2-methoxyethanol and 2-methoxyacetic acid in the pregnant mouse: a physiologically based mathematical model. Toxicol. Appl. Pharmacol. 121, 239-252.2. Clewell, H. J., Gearhart, J. M., Gentry, P. R., Covington, T. R., VanLandingham, C. B., Crump, K. S., and Shipp, A. M. (1999). Evaluation of the uncertainty in an oral reference dose for methylmercury due to interindividual variability in pharmacokinetics. Risk Anal. 19, 547-558.
3. Clewell, H. J., III, Andersen, M. E., Wills, R. J., and Latriano, L. (1997). A physiologically based pharmacokinetic model for retinoic acid and its metabolites. J. Am. Acad. Dermatol. 36, S77-S85.
4. Faustman, E.M., Lewandowski, T.A., Ponce, R.A. and Bartell, S.M. (1999). Biologically based dose-response models for developmental toxicants: Lessons from methylmercury. Inhal. Toxicol. 11, 559-572.
5. Fisher, J. W., Whittaker, T. A., Taylor, D. H., Clewell, H. J., III, and Andersen, M. E. (1989). Physiologically based pharmacokinetic modeling of the pregnant rat: a multiroute exposure model for trichloroethylene and its metabolite, trichloroacetic acid. Toxicol. Appl. Pharmacol. 99, 395-414.
6. Gabrielsson, J. L. and Paalzow, L. K. (1983). A physiological pharmacokinetic model for morphine disposition in the pregnant rat. J. Pharmacokinet. Biopharm. 11, 147-163.
7. Gabrielsson, J. L., Paalzow, L. K., and Nordstrom, L. (1984). A physiologically based pharmacokinetic model for theophylline disposition in the pregnant and nonpregnant rat. J. Pharmacokinet. Biopharm. 12, 149-165.
8. Gabrielsson, J. L., Johansson, P., Bondesson, U., and Paalzow, L. K. (1985). Analysis of methadone disposition in the pregnant rat by means of a physiological flow model. J. Pharmacokinet. Biopharm. 13, 355-372.
9. Gabrielsson, J. L., Johansson, P., Bondesson, U., Karlsson, M., and Paalzow, L. K. (1986). Analysis of pethidine disposition in the pregnant rat by means of a physiological flow model. J. Pharmacokinet. Biopharm. 14, 381-395.
10. Gabrielsson, J. L. and Groth, T. (1988). An extended physiological pharmacokinetic model of methadone disposition in the rat: validation and sensitivity analysis. J. Pharmacokinet. Biopharm. 16, 183-201.
11. Gargas, M. L., Tyler, T. R., Sweeney, L. M., Corley, R. A., Weitz, K. K., Mast, T. J., Paustenbach, D. J., and Hays, S. M. (2000). A toxicokinetic study of inhaled ethylene glycol ethyl ether acetate and validation of a physiologically based pharmacokinetic model for rat and human. Toxicol. Appl. Pharmacol. 165, 63-73.
12. Gargas, M. L., Tyler, T. R., Sweeney, L. M., Corley, R. A., Weitz, K. K., Mast, T. J., Paustenbach, D. J., and Hays, S. M. (2000). A toxicokinetic study of inhaled ethylene glycol monomethyl ether (2- ME) and validation of a physiologically based pharmacokinetic model for the pregnant rat and human. Toxicol. Appl. Pharmacol. 165, 53-62.
13. Gray, D. G. (1995). A physiologically based pharmacokinetic model for methyl mercury in the pregnant rat and fetus. Toxicol. Appl. Pharmacol. 132, 91-102.
14. Hays, S. M., Elswick, B. A., Blumenthal, G. M., Welsch, F., Conolly, R. B., and Gargas, M. L. (2000). Development of a physiologically based pharmacokinetic model of 2-methoxyethanol and 2-methoxyacetic acid disposition in pregnant rats. Toxicol. Appl. Pharmacol. 163, 67-74.
15. Kim, C. S., Binienda, Z., and Sandberg, J. A. (1996). Construction of a physiologically based pharmacokinetic model for 2,4- dichlorophenoxyacetic acid dosimetry in the developing rabbit brain. Toxicol.Appl.Pharmacol. 136, 250-259.
16. O'Flaherty, E. J., Scott, W., Schreiner, C., and Beliles, R. P. (1992). A physiologically based kinetic model of rat and mouse gestation: disposition of a weak acid. Toxicol. Appl. Pharmacol. 112, 245-256.
17. O'Flaherty, E. J., Nau, H., McCandless, D., Beliles, R. P., Schreiner, C. M., and Scott, W. J., Jr. (1995). Physiologically based pharmacokinetics of methoxyacetic acid: dose- effect considerations in C57BL/6 mice. Teratology 52, 78-89.
18. Olanoff, L. S. and Anderson, J. M. (1980). Controlled release of tetracycline--III: A physiological pharmacokinetic model of the pregnant rat. J. Pharmacokinet. Biopharm. 8, 599-620.
19. Terry, K. K., Elswick, B. A., Welsch, F., and Conolly, R. B. (1995). Development of a physiologically based pharmacokinetic model describing 2-methoxyacetic acid disposition in the pregnant mouse. Toxicol. Appl. Pharmacol. 132, 103-114.
20. Ward, K. W., Blumenthal, G. M., Welsch, F., and Pollack, G. M. (1997). Development of a physiologically based pharmacokinetic model to describe the disposition of methanol in pregnant rats and mice. Toxicol. Appl. Pharmacol. 145, 311-322.
21. Welsch, F., Blumenthal, G. M., and Conolly, R. B. (1995). Physiologically based pharmacokinetic models applicable to organogenesis: extrapolation between species and potential use in prenatal toxicity risk assessments. Toxicol. Lett. 82-83, 539-547.
22. You, L., Gazi, E., Archibeque-Engle, S., Casanova, M., Conolly, R. B., and Heck, H. d’A. (1999). Transplacental and lactational transfer of p,p'-DDE in Sprague-Dawley rats. Toxicol. Appl. Pharmacol. 157, 134-144.
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Table 2.2.2 Chemical-Specific Biologically Based Dose-Response Models for Pregnancy
23. Lau, C., Andersen, M. E., Crawford-Brown, D. J., Kavlock, R. J., Kimmel, C. A., Knudsen, T. B., Muneoka, K., Rogers, J. M., Setzer, R. W., Smith, G., and Tyl, R. (2000). Evaluation of biologically based dose-response modeling for developmental toxicity: a workshop report. Regul. Toxicol. Pharmacol. 31, 190-199.
24. Lau, C., Mole, M. L., Copeland, M. F., Rogers, J. M., Kavlock, R. J., Shuey, D. L., Cameron, A. M., Ellis, D. H., Logsdon, T. R., Merriman, J. and Setzer, R. W. (2001). Toward a biologically based dose-response model for developmental toxicity of 5-fluorouracil in the rat: Acquisition of experimental data. Toxicol. Sci. 59, 37-48.
25. Leroux, B. G., Leisenring, W. M., Moolgavkar, S. H., and Faustman, E. M. (1996). A biologically-based dose-response model for developmental toxicology. Risk Anal. 16, 449-458.
26. Setzer, R. W., Lau, C., Mole, M. L., Copeland, M. F., Rogers, J. M. and Kavlock, R. J. (2001). Toward a biologically based dose-response model for developmental toxicity of 5-Fluorouracil in the rat: A mathematical construct. Toxicol. Sci. 59, 49-58.
27. Shuey, D. L., Lau, C., Logsdon, T. R., Zucker, R. M., Elstein, K. H., Narotsky, M. G., Setzer, R. W., Kavlock, R. J., and Rogers, J. M. (1994). Biologically based dose-response modeling in developmental toxicology: biochemical and cellular sequelae of 5-fluorouracil exposure in the developing rat. Toxicol. Appl. Pharmacol. 126, 129-144.
28. Shuey, D. L., Setzer, R. W., Lau, C., Zucker, R. M., Elstein, K. H., Narotsky, M. G., Kavlock, R. J., and Rogers, J. M. (1995). Biological modeling of 5-fluorouracil developmental toxicity. Toxicology 102 , 207-213.
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Table 2.2.3 Chemical-Specific PBPK Models for Neonatal Exposure via Lactation
29. Barton, H. A. and Clewell, H. J., III (2000). Evaluating noncancer effects of trichloroethylene: dosimetry, mode of action, and risk assessment. Environ. Health Perspect. 108 Suppl 2, 323-334.
30. Begg, E. J. and Atkinson, H. C. (1993). Modeling of the passage of drugs into milk. Pharmacol.Ther. 59, 301-310.
31. Byczkowski, J. Z. and Fisher, J. W. (1994). Lactational transfer of tetrachloroethylene in rats. Risk Anal. 14, 339-349.
32. Byczkowski, J. Z., Kinkead, E. R., Leahy, H. F., Randall, G. M., and Fisher, J. W. (1994). Computer simulation of the lactational transfer of tetrachloroethylene in rats using a physiologically based model. Toxicol. Appl. Pharmacol. 125, 228-236.
33. Byczkowski, J. Z., Gearhart, J. M., and Fisher, J. W. (1994). "Occupational" exposure of infants to toxic chemicals via breast milk. Nutrition 10, 43-48.
34. Byczkowski, J. Z. and Fisher, J. W. (1995). A computer program linking physiologically based pharmacokinetic model with cancer risk assessment for breast-fed infants. Comput.Methods Programs Biomed. 46, 155-163.
35. Fisher, J., Mahle, D., Bankston, L., Greene, R., and Gearhart, J. (1997). Lactational transfer of volatile chemicals in breast milk. Am. Ind. Hyg. Assoc.J. 58, 425-431.
36. Fisher, J. W., Whittaker, T. A., Taylor, D. H., Clewell, H. J., III, and Andersen, M. E. (1990). Physiologically based pharmacokinetic modeling of the lactating rat and nursing pup: a multiroute exposure model for trichloroethylene and its metabolite, trichloroacetic acid. Toxicol. Appl. Pharmacol. 102, 497-513.
37. Schreiber, J. S. (1993). Predicted infant exposure to tetrachloroethene in human breastmilk. Risk Anal. 13, 515-524.
38. Shelley, M. L., Andersen, M. E., and Fisher, J. W. (1988). An inhalation distribution model for the lactating mother and nursing child. Toxicol. Lett. 43, 23-29.
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Table 2.2.4 Basic Biology Data Useful in PBPK Model Development
39. Barr, M., Jr., Jensh, R. P. and Brent, R. L. (1969). Fetal weight and intrauterine position in rats. Teratology 2, 241-246.
40. Barr, M., Jr., Jensh, R. P. and Brent, R. L. (1970). Prenatal growth in the albino rat: Effects of number, intrauterine position and resorptions. Am. J. Anat. 128, 413-427.
41. Bolon, B., Branham, W. S., Warbritton, A. R., Sheehan, D. M., Young, J. F. (1996). Morphometric analysis of rat embryos during early development using laser scanning confocal microscopy (LSCM). Teratology 53, 106 (Abstract).
42. Buelke-Sam, J., Byrd, R. A., and Nelson, C. J. (1983). Blood flow during pregnancy in the rat: III. Alterations following mirex treatment. Teratology 27, 401-409.
43. Buelke-Sam, J., Holson, J. F., and Nelson, C. J. (1982). Blood flow during pregnancy in the rat: II. Dynamics of and litter variability in uterine flow. Teratology 26, 279-288.
44. Buelke-Sam, J., Nelson, C. J., Byrd, R. A., and Holson, J. F. (1982). Blood flow during pregnancy in the rat: I. Flow patterns to maternal organs. Teratology 26, 269-277.
45. Campbell, R. M., Fell, B. F. and Mackie, W. S. (1974). Ornithine decarboxylase activity, nucleic acids and cell turnover in the livers of pregnant rats. J. Physiol. 241, 699-713.
46. CD(SD)IGS Study Group, c/o Charles River Japan, Inc. (1998). Biological Reference Data on CD(SD)IGS Rats - 1998, (T. Matsuzawa and H. Inoue, Eds). Best Printing Co., Ltd., Tokyo, Japan. ISBN 4-9980718-8-2.
47. Gfatter, R., Hackl, P., Braun, F. (1997). Effects of soap and detergents on skin surface pH, stratum corneum hydration and fat content in infants. Dermatol. 195, 258-262.
48. Goedbloed, J. F. (1977). Embryonic and postnatal growth of rat and mouse. V. Prenatal growth of organs and tissues, general principles: allometric growth, absence of growth, and the genetic regulation of the growth process. Acta Anat. (Basel) 98, 162-182.
49. Goedbloed, J. F. (1980). Embryonic and postnatal growth of the rat and mouse. VI. Prenatal growth of organs and tissues: individual organs; final remarks on parts I-VI, phase transitions. Acta Anat. (Basel) 106, 108-128.
50. Goedbloed, J. F. (1972). The embryonic and postnatal growth of rat and mouse. I. The embryonic and early postnatal growth of the whole embryo. A model with exponential growth and sudden changes in growth rate. Acta Anat. 82, 305-336.
51. Goedbloed, J. F. (1974). The embryonic and postnatal growth of rat and mouse. II. The growth of the whole animal during the first 24 days after birth in two inbred mouse strains (CPB-S and DBA-2). Acta Anat. (Basel) 87, 209-247.
52. Goedbloed, J. F. (1975). The embryonic and postnatal growth of rat and mouse. III. growth of the whole animal in the puberty, adult, and senescence phases in two inbred mouse strains (cpb-s and kba/2). Exponential growth, sudden changes in the growth rate, and a model for the regulation of the mitotic rate. Acta Anat. (Basel) 91, 1-56.
53. Goedbloed, J. F. (1976). The embryonic and postnatal growth of rat and mouse. IV. Prenatal growth of organs and tissues: age determination and general growth pattern. Acta Anat. 95, 8-33.
54. Goedbloed, J. F. (1972). The growth of the mouse during the first 24 days after birth. Acta Morphol. Neerl. Scand. 10, 372-373.
55. Goedbloed, J. F. (1972). The growth of two inbred mouse strains during the first 24 days after birth. J. Anat. 111, 493.
56. Griffith, D. R. and Turner, C. W. (1961). Normal growth of rat mammary glands during pregnancy and early lactation. Proc. Soc. Exp. Biol. Med. 106, 448-450.
57. Hanwell, A. and Linzell, J. L. (1973). The time course of cardiovascular changes in lactation in the rat. J. Physiol. 233, 93-109.
58. Heymann, M. A. (1972). Interrelations of fetal circulations and the placental transfer of drugs. Fed. Proc. 31, 44-47.
59. Hoffman, W. E., Miletich, D. J. and Albrecht, R. F. (1981). Repeated microsphere injections in rats. Life Sci. 28, 216 7-2172.
60. Hou, P.-C. L. and Burggren, W. W. (1989). Interaction of allometry and development in the mouse Mus musculus: Heart rate and hematology. Respir. Physiol. 78, 265-280.
61. International Commission on Radiation Protection. (1975). Report of the task group on Reference Man, ICRP Publication 23 (W.S. Snyder et al. Eds). Pergamon Press, New York, NY.
62. Ishise, S., Pegram, B. L., Yamamoto, J., Kitamura, Y. and Fohlich, E. D. (1980). Reference sample microsphere method: Cardiac output and blood flows in conscious rats. Am. J. Physiol. 239, H443-449.
63. Jackson, C. M. (1909). On the prenatal growth of the human body and the relative growth of the various organs and parts. Amer. J. Anat. 9, 119-165.
64. Jansky, L. and Hart, J. S. (1968). Cardiac output and organ blood flow in warm- and cold-acclimated rats exposed to cold. Can. J. Physiol. Pharmacol. 46, 653-659.
65. Kalia, Y. N., Nonato, L. B., Lund, C. H. and Guy, R. H. (1998). Development of skin barrier function in premature infants. J. Invest. Dermatol. 111, 320-326.
66. Kimmel, C. A., Kimmel, G. L., White, C. G., Grafton, T. F., Young, J. F., and Nelson, C. J. (1984). Blood flow changes and conceptal development in pregnant rats in response to caffeine. Fundam. Appl. Toxicol. 4, 240-247.
67. Knight, C. H. and Peaker, M. (1982). Mammary cell proliferation in mice during pregnancy and lactation in relation to milk yield. Q. J. Exp. Physiol. 67, 165-177.
68. Koo, W. W. K., Walters, J. C. and Hockman, E. M. (2000). Body composition in human infants at birth and postnatally. J. Nutr. 130, 2188-2194.
69. Lipshitz, J., Ahokas, R. A., Broyles, K. and Anderson, G.D. (1986). Effect of hexoprenaline on uteroplacental blood flow in the pregnant rat. Am. J. Obstet. Gynecol. 154, 310-314.
70. Lundgren, Y., Karlsson, K. and Ljungbled, U. (1979). Circulatory changes during pregnancy in spontaneously and renal hypertensive rats. Clin. Sci. 57, 337-339.
71. Malik, A. B., Kaplan, J. E. and Saba, T. M. (1976). Reference sample method for cardiac output and regional blood flow determination in the rat. J. Appl. Physiol. 40, 472-475.
72. Mattison, D. R., Blann, E. and Malek, A. (1991). Physiological alterations during pregnancy: Impact on toxicokinetics. Fund. Appl. Toxicol. 16, 215-218.
73. McCarthy, J. C. (1967). Effects of litter size and maternal weight on foetal and placental weight in mice. J. Reprod. Fertil. 14, 507-510.
74. Middle Atlantic Reproduction and Teratology Association (MARTA). (1993). Historical control data for development and reproductive toxicity studies using the Crl:CD® BR Rat, (P. L. Lang, Ed.), Published by Charles River Laboratories, Wilmington, MA.
75. Naismith, D. J., Richardson, D. P. and Ritchard, A. E. (1982). The utilization of protein and energy during lactation in the rat, with particular regard to the use of fat accumulated in pregnancy. Br. J. Nutr. 48, 433-441.
76. Nanbo, T. (1988). Pharmacokinetics of clearance in the maternal-fetal amniotic fluid system of the rat. Toxicol. Appl. Pharmacol. 92, 381-389.
77. Norman, M., Liedong, G., Herin, P. and Fagrell, B. (1991). Reactive hyperemia in term neonates and adults-a laser Doppler fluxmetry study study of skin microcirculation. Microvasc. Res. 41, 229-238.
78. O'Flaherty, E. J. (1994). Physiologic changes during growth and development. Environ. Health Perspect. 102 Suppl 11, 103-106.
79. Popovic, V. P. and Kent, K. M. (1964). 120-Day study of cardiac output in unaesthetized rats. Am. J. Physiol. 207, 767-770.
80. Ramasastry, P., Downing, D. T., Pochi, P. E. and Strauss, J. S. (1970). Chemical composition of human skin surface lipids from birth to puberty. J. Invest. Dermatol. 54, 139-144.
81. Robinson, J. J. (1986). Changes in body composition during pregnancy and lactation. Proc. Nutr. Soc. 45, 71-80.
82. Sikov, M. R. and Thomas, J. M. (1970). Prenatal growth of the rat. Growth 34, 1-14.
83. Sikov, M. R., Thomas, J. M. and Mahlum, D. D. (1969). Comparison of passage of a tracer through the gastrointestinal tract of neonatal and adult rats. Growth 33, 57-68.
84. Stanek, K. A., Smith, T. L., Murphy, W. L. and Coleman, T. G. (1983). Hemodynamic disturbances in the rat as a function of the number of microspheres injected. Am. J. Physiol. 245, H920-H923.
85. Trieb, G., Pappriz, G. and Lutzen, L. (1976). Allometric analysis of organ weights. I. Rats. Toxicol. Appl. Pharmacol. 35, 531-542.
86. Trotter, M. and Peterson, R. R. (1968). Weight of bone in the fetus-a preliminary report. Growth 32, 83-90.
87. Tsuchiya, M., Ferrone, R. A., Walsh, G. M. and Frohlich, E. D. (1978). Regional blood flows measured in conscious rats by combined Fick and microsphere methods. Am. J. Physiol. 250, H357-H30.
88. Tuma, R. F., Vasthare, U. S., Irion, G. L. and Wiedeman, M. P. (1986). Considerations in use of microspheres for flow measurements in anesthetized rats. Am. J. Physiol. 250, H137-H143.
89. West, D. P., Worobec, S. and Solomon, L. M. (1981). Pharmacology and toxicology of infant skin. J. Invest. Dermatol. 76, 147-150.
90. White, L., Haines, H. and Adams, T. (1968). Cardiac output related to body weight in small mammals. Comp. Biochem. Physiol. 27, 559-565.
91. Wu, P. Y. K., Wong, W. H., Guerra, G., Miranda, R., Godoy, R. R., Preston, B., Schoentgen, S. and Levan, N. E. (1980). Peripheral blood flow in the neonate. 1. Changes in total, skin and muscle blood flow with gestational and postnatal age. Pediatr. Res. 14, 1374-1378.
92. Yosipovitch, G., Maayan-Metzger, A., Merlob, P. and Sirota, L. (2000). Skin barrier properties in different body areas in neonates. Pediatrics 106, 105-108.
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Table 2.2.5 General Models and Dosimetry Considerations Useful in PBPK Model Development
93. Clark, D. O. (1993). Pharmacokinetic studies in developmental toxicology: Practical considerations and approaches. Toxicol. Methods 3(4), 223-251.
94. Crom, W. R. (1994). Pharmacokinetics in the child. Environ. Health Perspect. 102 Suppl 11, 111-117.
95. Dijkstra, J., France, J., Dhanoa, M. S., Maas, J. A., Hanigan, M. D., Rook, A. J., and Beever, D. E. (1997). A model to describe growth patterns of the mammary gland during pregnancy and lactation. J. Dairy Sci. 80, 2340-2354.
96. Gaylor, D. W. and Razzaghi, M. (1992). Process of building biologically based dose-response models for developmental defects. Teratology 46, 573-581.
97. Gaylor, D. W. and Chen, J. J. (1993). Dose-response models for developmental malformations. Teratology 47, 291-297.
98. Krauer, B., Krauer, F. and Hytten, F. E. (1980). Drug disposition and pharmacokinetics in the maternal-placental-fetal unit. Pharmac. Ther. 10, 301-328.
99. Luecke, R. H., Wosilait, W. D., Pearce, B. A., and Young, J. F. (1994). A physiologically based pharmacokinetic computer model for human pregnancy. Teratology 49, 90-103.
100. Luecke, R. H., Wosilait, W. D., and Young, J. F. (1995). Mathematical representation of organ growth in the human embryo/fetus. Int. J. Biomed. Comput. 39, 337-347.
101. Luecke, R. H., Wosilait, W. D., and Young, J. F. (1997). Mathematical analysis for teratogenic sensitivity. Teratology 55, 373-380.
102. Luecke, R. H., Wosilait, W. D., Pearce, B. A., and Young, J. F. (1997). A computer model and program for xenobiotic disposition during pregnancy. Comput.Methods Programs Biomed. 53, 201-224.
103. Luecke, R. H., Wosilait, W. D., and Young, J. F. (1999). Mathematical modeling of human embryonic and fetal growth rates. Growth Dev.Aging 63, 49-59.
104. Milsap, R. L. and Jusko, W. J. (1994). Pharmacokinetics in the infant. Environ. Health Perspect. 102 Suppl 11, 107-110.
105. O'Flaherty, E. J. (1994). Physiologically based pharmacokinetic models in developmental toxicology. Risk Anal. 14, 605-611.
106. O’Flaherty, E. J., Polak, J. and Andriot, M. D. (1995). Incorporation of temporal factors into physiologically based kinetic models for risk assessment. Inhal. Toxicol. 7, 917-925.
107. Welsch, F. (1982). Placental transfer and fetal uptake of drugs. J. Vet. Pharmacol. Ther. 5, 91-104.
108. Wilson, J. T., Brown, R. D., Cherek, D. R., Dailey, J. W., Hilman, B., Jobe, P. C., Manno, B. R., Manno, J. E., Redetzki, H. M., and Stewart, J. J. (1980). Drug excretion in human breast milk: principles, pharmacokinetics and projected consequences. Clin. Pharmacokinet. 5, 1-66.
109. Wosilait, W. D., Luecke, R. H., and Young, J. F. (1992). A mathematical analysis of human embryonic and fetal growth data. Growth Dev.Aging 56, 249-257.
110. West, D. P., Worobec, S. and Soloman, L. M. (1981). Pharmacology and toxicology of infant skin. J. Invest. Dermatol. 76, 147-150.
111. Young, J. F., Branham, W. S., Sheehan, D. M., Baker, M. E., Wosilait, W. D., and Luecke, R. H. (1997). Physiological "constants" for PBPK models for pregnancy. J. Toxicol. Environ. Health 52, 385-401.
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Table 2.2.6 Reviews of PK/PD in Developmental Toxicology
112. Gabrielsson, J. L. (1991). Utilization of physiologically based models in extrapolating pharmacokinetic data among species. Fundam. Appl. Toxicol. 16, 230-232.
113. Gabrielsson, J. L. and Larsson, K. S. (1990). Proposals for improving risk assessment in reproductive toxicology. Pharmacol. Toxicol. 66, 10-17.
114. Kavlock, R. J. and Setzer, R. W. (1996). The road to embryologically based dose-response models. Environ. Health Perspect. 104 Suppl 1, 107-121.
115. Kavlock, R. J. (1997). Recent advances in mathematical modeling of developmental abnormalities using mechanistic information. Reprod. Toxicol. 11, 423-434.
116. Kavlock, R. J. (1991). Symposium on application of pharmacokinetics in developmental toxicity risk assessments. Fund. Appl. Toxicol. 16, 213-232.
117. Kimmel, C. A., Wellington, D. G., Farland, W., Ross, P., Manson, J. M., Chernoff, N., Young, J. F., Selevan, S. G., Kaplan, N., and Chen, C. (1989). Overview of a workshop on quantitative models for developmental toxicity risk assessment. Environ. Health Perspect. 79, 209-215.
118. Kimmel, C. A. (1996). Developmental toxicity risk assessment: consensus building, hypothesis formulation, and focused research. Drug Metab Rev. 28, 85-103.
119. Kimmel, C. A. and Schwetz, B. A. (1997). Evolution and progress in safety assessment for developmental and reproductive toxicity [editorial]. Toxicol. Pathol. 25, 664-667.
120. O'Flaherty, E. J. (1997). Pharmacokinetics, pharmacodynamics, and prediction of developmental abnormalities. Reprod. Toxicol. 11, 413-416.
121. Sheehan, D. M., Young, J. F., Slikker, W., Jr., Gaylor, D. W., and Mattison, D. R. (1989). Workshop on risk assessment in reproductive and developmental toxicology: addressing the assumptions and identifying the research needs. Regul. Toxicol. Pharmacol. 10, 110-122.
122. Young, J. F. and Holson, J. F. (1978). Utility of pharmacokinetics in designing toxicological protocols and improving interspecies extrapolation. J. Environ. Pathol. Toxicol. 2, 169-186.
123. Young, J. F. (1991). Correlation of pharmacokinetic data with endpoints of developmental toxicity. Fundam. Appl. Toxicol. 16, 222-224.
124. Young, J. F. (1998). Physiologically-based pharmacokinetic model for pregnancy as a tool for investigation of developmental mechanisms. Comput. Biol. Med. 28, 359-364.
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Table 2.2.7 Role for kinetics/dosimetry in Children’s Health Issues
125. Bruckner, J. V. (2000). Differences in sensitivity of children and adults to chemical toxicity: the NAS panel report. Regul. Toxicol. Pharmacol. 31, 280-285.
126. Faustman, E. M., Silbernagel, S. M., Fenske, R. A., Burbacher, T. M., and Ponce, R. A. (2000). Mechanisms underlying Children's susceptibility to environmental toxicants. Environ. Health Perspect. 108 Suppl 1, 13-21.
127. Selevan, S. G., Kimmel, C. A., and Mendola, P. (2000). Identifying critical windows of exposure for Children's health [In Process Citation]. Environ. Health Perspect. 108 Suppl 3, 451-455.
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Table 2.3.8 PD Models of the Endocrine System
128. Andersen, M. E., Clewell, H. J., III, Gearhart, J., Allen, B. C., and Barton, H. A. (1997). Pharmacodynamic model of the rat estrus cycle in relation to endocrine disruptors. J. Toxicol. Environ. Health 52, 189-209.
129. Andersen, M. E. and Barton, H. A. (1999). Biological regulation of receptor-hormone complex concentrations in relation to dose-response assessments for endocrine-active compounds. Toxicol. Sci. 48, 38-50.
130. Barton, H. A. and Andersen, M. E. (1998). A model for pharmacokinetics and physiological feedback among hormones of the testicular-pituitary axis in adult male rats: a framework for evaluating effects of endocrine active compounds. Toxicol. Sci. 45, 174-187.
131. Schlosser, P. M. and Selgrade, J. F. (2000). A Model of Gonadotropin Regulation during the Menstrual Cycle in Women: Qualitative Features. Environ. Health Perspect. 108 Suppl 5, 873-881.
132. Walker, C., Ahmed, S. A., Brown, T., Ho, S. M., Hodges, L., Lucier, G., Russo, J., Weigel, N., Weise, T., and Vandenbergh, J. (1999). Species, interindividual, and tissue specificity in endocrine signaling. Environ. Health Perspect. 107 Suppl 4, 619-624.
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Table 2.2.9 Dose-Response Modeling for Endocrine Active Compounds
133. Andersen, M. E., Conolly, R. B., Faustman, E. M., Kavlock, R. J., Portier, C. J., Sheehan, D. M., Wier, P. J., and Ziese, L. (1999). Quantitative mechanistically based dose-response modeling with endocrine-active compounds. Environ. Health Perspect. 107 Suppl 4, 631-638.
134. Barton, H. A. and Andersen, M. E. (1997). Dose-response assessment strategies for endocrine-active compounds. Regul. Toxicol. Pharmacol. 25, 292-305.
135. Barton, H. A., Andersen, M. E., and Allen, B. C. (1998). Dose-response characteristics of uterine responses in rats exposed to estrogen agonists. Regul. Toxicol. Pharmacol. 28, 133-149.
136. Barton, H. A. and Andersen, M. E. (1998). Endocrine active compounds: from biology to dose response assessment. Crit. Rev. Toxicol. 28, 363-423.
137. Ben Jonathan, N., Cooper, R. L., Foster, P., Hughes, C. L., Hoyer, P. B., Klotz, D., Kohn, M., Lamb, D. J., and Stancel, G. M. (1999). An approach to the development of quantitative models to assess the effects of exposure to environmentally relevant levels of endocrine disruptors on homeostasis in adults. Environ. Health Perspect. 107 Suppl 4, 605-611.
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Table 2.2.10 Metabolizing Enzymes as a Function of Age or Gestational Development (Reviews)
138. Besunder, J. B., Reed, M. D., and Blumer, J. L. (1988). Principles of drug biodisposition in the neonate. A critical evaluation of the pharmacokinetic-pharmacodynamic interface (Part I). Clin. Pharmacokinet. 14, 189-216.
139. Crom, W. R. (1994). Pharmacokinetics in the child. Environ. Health Perspect. 102 Suppl 11, 111-117.
140. Dvorchik, B. H., Stenger, B. G., and Quattropani, S. L. (1974). Fetal hepatic drug metabolism in the nonhuman primate, Macaca arctoides. Drug Metab. Dispos. 2, 539-544.
141. Giachelli, C. M. and Omiecinski, C. J. (1987). Developmental regulation of cytochrome P-450 genes in the rat. Mol. Pharmacol. 31, 477-484.
142. Glockner, R. and Karge, E. (1993). Postnatal development of body mass and of hepatic xenobiotics biotransformation of male rats with low body mass at birth. Exp. Toxicol. Pathol. 45, 145-148.
143. Gu, J., Su, T., Chen, Y., Zhang, Q. Y., and Ding, X. (2000). Expression of biotransformation enzymes in human fetal olfactory mucosa: potential roles in developmental toxicity. Toxicol. Appl. Pharmacol. 165, 158-162.
144. Iwasaki, K., Shiraga, T., Takeshita, K., Katashima, M., Nagase, K., Tada, K., Noda, K., and Noguchi, H. (1993). Perinatal development of amine, alcohol and phenol sulfoconjugations in the rat. Res. Commun. Chem. Pathol. Pharmacol. 81, 183-190.
145. Juchau, M. R., Chao, S. T., and Omiecinski, C. J. (1980). Drug metabolism by the human fetus. Clin. Pharmacokinet. 5, 320-339.
146. Juchau, M. R., Lee, Q. P. and Fantel, A. G. (1992). Xenobiotic biotransformation/bioactivation in organogenesis-stage conceptal tissues: Implications for embryotoxicity and teratogenesis. Drug Metab. Rev. 24(2), 195-238.
147. Kearns, G. L. (1995). Pharmacogenetics and development: are infants and children at increased risk for adverse outcomes? Curr. Opin. Pediatr. 7, 220-233.
148. Klinger, W. and Muller, D. (1976). Developmental aspects of xenobiotic transformation. Environ. Health Perspect. 18, 13-23.
149. Lemay, J., Audet, M., Yousef, I. M., and Tuchweber, B. (1991). Hepatic drug metabolism during development in food-restricted female Sprague-Dawley rats. Mech. Ageing Dev. 60, 75-87.
150. Mannering, G. J. (1985). Drug metabolism in the newborn. Fed. Proc. 44, 2302-2308.
151. Miller, M. S., Juchau, M. R., Guengerich, F. P., Nebert, D. W., and Raucy, J. L. (1996). Drug metabolic enzymes in developmental toxicology. Fundam. Appl. Toxicol. 34, 165-175.
152. Omiecinski, C. J., Hassett, C., and Costa, P. (1990). Developmental expression and in situ localization of the phenobarbital- inducible rat hepatic mRNAs for cytochromes CYP2B1, CYP2B2, CYP2C6, and CYP3A1. Mol. Pharmacol. 38, 462-470.
153. Omiecinski, C. J., Redlich, C. A., and Costa, P. (1990). Induction and developmental expression of cytochrome P450IA1 messenger RNA in rat and human tissues: detection by the polymerase chain reaction. Cancer Res. 50, 4315-4321.
154. Omiecinski, C. J., Aicher, L., and Swenson, L. (1994). Developmental expression of human microsomal epoxide hydrolase. J. Pharmacol. Exp. Ther. 269, 417-423.
155. Pasanen, M. (1999). The expression and regulation of drug metabolism in human placenta. Adv. Drug Deliv. Rev. 38, 81-97.
156. Pedersen, R. A., Meneses, J., Spindle, A., Wu, K., and Galloway, S. M. (1985). Cytochrome P-450 metabolic activity in embryonic and extraembryonic tissue lineages of mouse embryos. Proc. Natl. Acad. Sci. U.S.A 82, 3311-3315.
157. Rane, A. and Tomson, G. (1980). Prenatal and neonatal drug metabolism in man. Eur. J. Clin. Pharmacol. 18, 9-15.
158. Raucy, J. L. and Carpenter, S. J. (1993). The expression of xenobiotic-metabolizing cytochromes P450 in fetal tissues. J. Pharmacol. Toxicol. Methods 29, 121-128.
159. Renwick, A. G. (1998). Toxicokinetics in infants and children in relation to the ADI and TDI. Food Addit. Contam 15 Suppl, 17-35.
160. Rich, K. J. and Boobis, A. R. (1997). Expression and inducibility of P450 enzymes during liver ontogeny. Microsc. Res. Tech. 39, 424-435.
161. Vogel-Bindel, U., Bentley, P., and Oesch, F. (1982). Endogenous role of microsomal epoxide hydrolase. Ontogenesis, induction inhibition, tissue distribution, immunological behaviour and purification of microsomal epoxide hydrolase with 16 alpha, 17 alpha- epoxyandrostene-3-one as substrate. Eur. J. Biochem. 126, 425-431.
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Table 2.2.11 Standard Kinetics during Pregnancy or Lactation (only selected articles from a large database captured during PBPK searches)
162. Bazare, J. J., Jr., Nelson, C. J., and Young, J. F. (1990). Pharmacokinetics of 2,4,5-T in mice as a function of dose and gestational status. Reprod. Toxicol. 4, 137-144.
163. Byrd, R. A., Young, J. F., Kimmel, C. A., Morris, M. D., and Holson, J. F. (1982). Computer simulation of mirex pharmacokinetics in the rat. Toxicol. Appl. Pharmacol. 66, 182-192.
164. Clarke, D. O., Mebus, C. A., Miller, F. J., and Welsch, F. (1991). Protection against 2-methoxyethanol-induced teratogenesis by serine enantiomers: studies of potential alteration of 2-methoxyethanol pharmacokinetics. Toxicol. Appl. Pharmacol. 110, 514-526.
165. Clarke, D. O., Duignan, J. M., and Welsch, F. (1992). 2-Methoxyacetic acid dosimetry-teratogenicity relationships in CD-1 mice exposed to 2-methoxyethanol. Toxicol. Appl. Pharmacol. 114, 77-87.
166. Cristofol, C., Carretero, A., Fernandez, M., Navarro, M., Sautet, J., Ruberte, J., and Arboix, M. (1995). Transplacental transport of netobimin metabolites in ewes. Eur. J. Drug Metab Pharmacokinet. 20, 167-171.
167. Cristofol, C., Navarro, M., Franquelo, C., Valladares, J. E., Carretero, A., Ruberte, J., and Arboix, M. (1997). Disposition of netobimin, albendazole, and its metabolites in the pregnant rat: developmental toxicity. Toxicol. Appl. Pharmacol. 144, 56-61.
168. Cristofol, C., Franquelo, C., Navarro, M., Carretero, A., Ruberte, J., and Arboix, M. (1997). Comparative pharmacokinetics of netobimin metabolites in pregnant ewes. Res. Vet. Sci. 62, 117-120.
169. Franklin, C. A., Inskip, M. J., Baccanale, C. L., Edwards, C. M., Manton, W. I., Edwards, E., and O'Flaherty, E. J. (1997). Use of sequentially administered stable lead isotopes to investigate changes in blood lead during pregnancy in a nonhuman primate (Macaca fascicularis). Fundam. Appl. Toxicol. 39, 109-119.
170. Gabrielsson, J., Paalzow, L., Larsson, S., and Blomquist, I. (1985). Constant rate of infusion--improvement of tests for teratogenicity and embryotoxicity. Life Sci. 37, 2275-2282.
171. Gaylor, D. W., Sheehan, D. M., Young, J. F., and Mattison, D. R. (1988). The threshold dose question in teratogenesis [letter]. Teratology 38, 389-391.
172. Hansen, D. K., LaBorde, J. B., Wall, K. S., Holson, R. R., and Young, J. F. (1999). Pharmacokinetic considerations of dexamethasone-induced developmental toxicity in rats. Toxicol. Sci. 48, 230-239.
173. Kim, C. S. and O'Tuama, L. A. (1981). Choroid plexus transport of 2,4-dichlorophenoxyacetic acid: interaction with the organic acid carrier. Brain Res. 224, 209-212.
174. Kim, C. S., O'Tuama, L. A., Mann, J. D., and Roe, C. R. (1983). Saturable accumulation of the anionic herbicide, 2,4- dichlorophenoxyacetic acid (2,4-D), by rabbit choroid plexus: early developmental origin and interaction with salicylates. J.Pharmacol.Exp.Ther. 225, 699-704.
175. Kimmel, C. A., Wilson, J. G., and Schumacher, H. J. (1971). Studies on metabolism and identification of the causative agent in aspirin teratogenesis in rats. Teratology 4, 15-24.
176. Kimmel, C. A. and Young, J. F. (1983). Correlating pharmacokinetics and teratogenic endpoints. Fundam. Appl. Toxicol. 3, 250-255.
177. Li, X., Lutz, W. D. and Rozman, K. K. (1995). Toxicokinetics of 2,3,7,8-tetrachlorodibenzo-p-dioxin in female Sprague-Dawley rats including placental and lactational transfer to fetuses and neonates. Fund. Appl. Toxicol. 27, 70-76.
178. Marciniak, M., Chas, J., and Baltrukiewicz, Z. (1996). Transport of lanthanides in milk into suckling rats. Q. J. Nucl. Med. 40, 351-358.
179. Mason, H. J. (2000). A biokinetic model for lead metabolism with a view to its extension to pregnancy and lactation; (1). Further validation of the original model for non-pregnant adults. Sci. Total Environ. 246, 69-78.
180. Mebus, C. A., Clarke, D. O., Stedman, D. B., and Welsch, F. (1992). 2-Methoxyethanol metabolism in pregnant CD-1 mice and embryos. Toxicol. Appl. Pharmacol. 112, 87-94.
181. Nau, H., Welsch, F., Ulbrich, B., Bass, R., and Lange, J. (1981). Thiamphenicol during the first trimester of human pregnancy: placental transfer in vivo, placental uptake in vitro, and inhibition of mitochondrial function. Toxicol. Appl. Pharmacol. 60, 131-141.
182. Perkins, R. A., Ward, K. W., and Pollack, G. M. (1995). Comparative toxicokinetics of inhaled methanol in the female CD-1 mouse and Sprague-Dawley rat. Fundam. Appl. Toxicol. 28, 245-254.
183. Perkins, R. A., Ward, K. W., and Pollack, G. M. (1995). A pharmacokinetic model of inhaled methanol in humans and comparison to methanol disposition in mice and rats. Environ. Health Perspect. 103, 726-733.
184. Perkins, R. A., Ward, K. W., and Pollack, G. M. (1996). Methanol inhalation: site and other factors influencing absorption, and an inhalation toxicokinetic model for the rat. Pharm. Res. 13, 749-755.
185. Rogan, W. J. and Ragan, N. E. (1994). Chemical contaminants, pharmacokinetics and the lactating mother. Environ. Health. Perspect. 102 Suppl 11, 89-95.
186. Rowland, J. M., Slikker, W., Jr., Holder, C. L., Denton, R., Prahalada, S., Young, J. F., and Hendrickx, A. G. (1989). Pharmacokinetics of doxylamine given as Bendectin in the pregnant monkey and baboon. Reprod. Toxicol. 3, 197-202.
187. Sandberg, J. A., Duhart, H. M., Lipe, G., Binienda, Z., Slikker, W., Jr., and Kim, C. S. (1996). Distribution of 2,4-dichlorophenoxyacetic acid (2,4-D) in maternal and fetal rabbits. J. Toxicol. Environ. Health 49, 497-509.
188. Scott, W. J., Collins, M. D. and Nau, H. (1994). Pharmacokinetic determinants of embryotoxicity in rats associated with organic acids. Environ. Health Perspect. 102 Suppl 11, 97-101.
189. Scott, W. J., Fradkin, R., Wittfoht, W. and Nau, H. (1989). Teratologic potential of 2-methoxyethanol and transplacental distribution of its metabolite, 2-methoxyacetic acid, in non-human primates. Teratol. 39, 363-373.
190. Sikov, M. R. and Kelman, B. J. (1989). Factors affecting the placental transfer of actinides. Hlth. Physics. 57, 109-114.
191. Sleet, R. B., John-Greene, J. A., and Welsch, F. (1986). Localization of radioactivity from 2-methoxy[1,2-14C]ethanol in maternal and conceptus compartments of CD-1 mice. Toxicol. Appl. Pharmacol. 84, 25-35.
192. Sleet, R. B., Greene, J. A., and Welsch, F. (1988). The relationship of embryotoxicity to disposition of 2-methoxyethanol in mice. Toxicol. Appl. Pharmacol. 93, 195-207.
193. Sleet, R. B., Welsch, F., Myers, C. B., and Marr, M. C. (1996). Developmental phase specificity and dose-response effects of 2- methoxyethanol in rats. Fundam.Appl. Toxicol. 29, 131-139.
194. Slikker, W., Jr., Holder, C. L., Lipe, G. W., Bailey, J. R., and Young, J. F. (1989). Pharmacokinetics of doxylamine, a component of Bendectin, in the rhesus monkey. Reprod. Toxicol. 3, 187-196.
195. Sumner, S. J., Stedman, D. B., Cheng, S. Y., Welsch, F., and Fennell, T. R. (1995). Dose effects on the excretion of urinary metabolites of 2-[1,2,methoxy- 13C]methoxyethanol in rats and mice. Toxicol. Appl. Pharmacol. 134, 139-147.
196. Terry, K. K., Elswick, B. A., Stedman, D. B., and Welsch, F. (1994). Developmental phase alters dosimetry-teratogenicity relationship for 2- methoxyethanol in CD-1 mice. Teratology 49, 218-227.
197. Ward, K. W. and Pollack, G. M. (1996). Comparative toxicokinetics of methanol in pregnant and nonpregnant rodents. Drug Metab Dispos. 24, 1062-1070.
198. Ward, K. W. and Pollack, G. M. (1996). Use of intrauterine microdialysis to investigate methanol-induced alterations in uteroplacental blood flow. Toxicol. Appl. Pharmacol. 140, 203-210.
