Skin Permeation of Solutes from Metalworking Fluids to Build Prediction Models and Test a Partition Theory

Details

• Personal Author:
  Baynes RE ; Hughes-Oliver JM ; Xu G
• Description:
  Permeation of chemical solutes through skin can create major health issues. Using the membrane-coated fiber (MCF) as a solid phase membrane extraction (SPME) approach to simulate skin permeation, we obtained partition coefficients for 37 solutes under 90 treatment combinations that could broadly represent formulations that could be associated with occupational skin exposure. These formulations were designed to mimic fluids in the metalworking process, and they are defined in this manuscript using: one of mineral oil, polyethylene glycol-200, soluble oil, synthetic oil, or semi-synthetic oil; at a concentration of 0.05 or 0.5 or 5 percent; with solute concentration of 0.01, 0.05, 0.1, 0.5, 1, or 5 ppm. A single linear free-energy relationship (LFER) model was shown to be inadequate, but extensions that account for experimental conditions provide important improvements in estimating solute partitioning from selected formulations into the MCF. The benefit of the Expanded Nested-Solute-Concentration LFER model over the Expanded Crossed-Factors LFER model is only revealed through a careful leave-one-solute-out cross-validation that properly addresses the existence of replicates to avoid an overly optimistic view of predictive power. Finally, the partition theory that accompanies the MCF approach is thoroughly tested and found to not be supported under complex experimental settings that mimic occupational exposure in the metalworking industry. [Description provided by NIOSH]
• Subjects:
  Biological Assay Chemistry Chemistry, Analytic Occupational Health Particulate Matter Safety Skin Skin Absorption Solvents
• Keywords:
  Absorption Analytical Chemistry Analytical Models Analytical Processes Author Keywords: Leave-one-solute-out (LOSO) Cross-validation Bioassays Chemical Analysis Chemical Properties Chemical Structure Coatings Fibers Fluids Gas Chromatography Leave-one-out (LOO) Cross-validation Linear Free-energy Relationship (LFER) Model Membrane-coated Fiber (MCF) Approach Membrane Filters Metalworking Fluid Metalworking Fluids Mineral Oils Models Molecular Biology Molecular Structure MWFs Oils Partition Coefficient Pharmacology Quantitative Analysis Quantitative Structure-activity Relationship (QSAR) Regression Analysis Simulation Methods Skin Absorption Skin Exposure Soluable Compounds Soluble Synthetics

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• ISSN:
  1420-3049
• Document Type:
  Text
• Funding:
  Grant
• Genre:
  Journal Article
• Place as Subject:
  North Carolina ; OSHA Region 4
• CIO:
  National Institute for Occupational Safety and Health (NIOSH)
• Topic:
  Workplace Safety & Health
• Location:
  North America
• Volume:
  23
• Issue:
  12
• NIOSHTIC Number:
  nn:20053914
• Citation:
  Molecules 2018 Nov; 23(12):3076
• Contact Point Address:
  Ronald E. Baynes, Center for Chemical Toxicology Research & Pharmacokinetics, Department of Population Health and Pathobiology, College of Veterinary Medicine, North Carolina State University, 1060 William Moore Dr., Raleigh, NC 27607, USA
• Email:
  ronald_baynes@ncsu.edu
• Federal Fiscal Year:
  2019
• Performing Organization:
  North Carolina State University, Raleigh, North Carolina
• Peer Reviewed:
  True
• Start Date:
  20000801
• Source Full Name:
  Molecules: A Journal of Synthetic Chemistry and Natural Product Chemistry
• End Date:
  20150731
• Collection(s):
  National Institute for Occupational Safety and Health
• Main Document Checksum:
  urn:sha-512:26d3e4e86c40850f3df0df616a65e42d1ba4382635780cd184a27f8a5ef15a9c225d3cb1820b9cec12a6e5a9fbbcf7e942495c88d064842b19bdf0296555ac85
• Download URL:
  https://stacks.cdc.gov/view/cdc/216584/cdc_216584_DS1.pdf
• File Type:
  [PDF - 828.33 KB ]