Parameters for Pesticide QSAR and PBPK/PD Models for Human Risk Assessment

Edited by James P Knaak, Charles Timchalk, and Rogelio Tornero-Velez

ACS Symposium Series

Updates the scientific community about the development of parameters required by pesticide PBPK/PD models.

Parameters for Pesticide QSAR and PBPK/PD Models for Human Risk Assessment

Edited by James P Knaak, Charles Timchalk, and Rogelio Tornero-Velez

Description

The metabolism of modern agrochemicals in animals, plants, and the environment have been extensively studied and reported in the literature by scientists. The results of a considerable number of these studies have been presented at National ACS, AGRO Division meetings and eventually published in the Journal of Agricultural and Food Chemistry, the ACS Symposium Series, as well as other ACS journals and books. These studies support the current registrations and use of pesticides in the United States and worldwide. The integration of metabolism and toxicological studies in assessing human risks to pesticides is best performed using predictive physiological pharmacokinetic/pharmacodynamic and QSAR models. Physiological, biochemical, and toxicological parameters are required for model development and is the subject of the chapters in this book. The book will update the scientific community in the development of the parameters required by pesticide PBPK/PD models and their application in model development, simulation, and risk assessment.

Parameters for Pesticide QSAR and PBPK/PD Models for Human Risk Assessment

Edited by James P Knaak, Charles Timchalk, and Rogelio Tornero-Velez

ACS Symposium Series

Preface
Introduction
1. Parameters for Pesticide QSAR and PBPK/PD Models To Inform Human Risk Assessments
M. R. Goldsmith, J. C. Johnson, D. T. Chang, R. Tornero-Velez, J. B. Knaak, and Curtis C. Dary
Chiral Isomers/Toxicity/Separation/Metabolism
2. Chiral Chemistry and Toxicity Assessments for Pyrethroid Pesticides
Robert W. Gerlach
3. Direct Chiral Separation of Pyrethroid Isomers by HPLC with Chiral Stationary Phases
Masahiko Okamoto
4. Biotransformation and Enzymes Responsible for Metabolism of Pyrethroids in Mammals
Hideo Kaneko
Protein Binding, Gastrointestinal Absorption, Blood Brain Permeability, and Transport
5. The Influence of Maturation on Rat and Human Physiological Processes Involving Protein and Lipoprotein Binding, Gastrointestinal Absorption, and Blood Brain Permeability and Transport of Pyrethroids
J. V. Bruckner, T. G. Osmitiz, S. Anand, D. Minnema, W. Schmitt, N. Assaf, and J. Zastre
Percutaneous Absorption
6. 15 Factors of Percutaneous Penetration of Pesticides
Mai A. Ngo and Howard I. Maibach
7. Mechanisms of Percutaneous Absorption of Pesticide Formulations
William G. Reifenrath
Liver/Tissue Metabolic Enzymes
8. Human Metabolic Interactions of Pesticides: Inhibition, Induction, and Activation
Ernest Hodgson and Andrew D. Wallace
9. Paraoxonase 1 (PON1) Status in Risk Assessment for Organophosphate Exposure and Pharmacokinetics
Clement E. Furlong, Rebecca J. Richter, Lucio G. Costa, and Gail P. Jarvik
10. Carboxylesterases: A Multifunctional Enzyme Involved in Pesticide and Lipid Metabolism
Matthew K. Ross and Mariola J. Edelmann
Neurotoxicity I
11. Behavioral Changes in Adult and Young Rats as Indications of Cholinesterase Inhibition
Virginia C. Moser
12. Comparison of Esterase Sensitivity, Metabolic Efficiency, and Toxicity Levels of Two Organophosphorus Insecticides: Parathion and Chlorpyrifos
Janice E. Chambers, Edward C. Meek, and Howard W. Chambers
13. Regional Brain Dosimetry for the Organophosphorus Insecticide Chlorpyrifos in the Preweanling Rat
Charles Timchalk, Jordan Ned Smith, Andrea Hjerpe, Torka S. Poet, and Sookwang Lee
Neurotoxicity II
14. Pyrethroid Actions on Sodium Channels: Isoform and Species Specificity
David M. Soderlund
15. Extrapolating Dose in Vitro to Dose in Vivo of a Neurotoxic Pyrethroid Pesticide Using Empirical Approaches and a PBPK Model
Michael F. Hughes, Melissa P. L. Chan, James M. Starr, Timothy J. Shafer, Edward J. Scollon, and Michael J. DeVito
QSAR/Other Models
16. In Silico Strategies for Modeling Stereoselective Metabolism of Pyrethroids
Daniel T. Chang, Michael-Rock Goldsmith, Rogelio Tornero-Velez, Yu-Mei Tan, Christopher M. Grulke, Ling-Jen Chen, Elin M. Ulrich, Andrew B. Lindstrom, Melissa A. Pasquinelli, James R. Rabinowitz, and Curtis C. Dary
17. Quantitative Structure-Activity Relationships for Organophosphate Enzyme Inhibition
Christopher D. Ruark, C. Eric Hack, Peter J. Robinson, and Jeffery M. Gearhart
18. Computational Approaches for Developing Informative Prior Distributions for Bayesian Calibration of PBPK Models
Jimena L. Davis, Rogelio Tornero-Velez, and R. Woodrow Setzer
PBPK/PD Models
19. Use of Cytochrome P450-Specific Parameters and Human Biomarker Data To Develop a Human Physiologically Based Pharmacokinetic/Pharmacodynamic Model for Dermal Chlorpyrifos Exposure
Corie A. Ellison, James B. Knaak, Robin McDougall, and James R. Olson
20. Use of in Vitro Data in PBPK Models: An Example of in Vitro to in Vivo Extrapolation with Carbaryl
Miyoung Yoon, Gregory L. Kedderis, Yuching Yang, Bruce C. Allen, Grace Z. Yan, and Harvey J. Clewell
Editors' Biographies
Indexes
Author Index
Subject Index

Parameters for Pesticide QSAR and PBPK/PD Models for Human Risk Assessment

Edited by James P Knaak, Charles Timchalk, and Rogelio Tornero-Velez

ACS Symposium Series

Author Information

Edited by James P Knaak, SUNY at Buffalo, Charles Timchalk, Pacific Northwest National Laboratory, and Rogelio Tornero-Velez, U.S. Environmental Protection Agency

James P. Knaak is a professor at SUNY at Buffalo.