Association of the blood/air partition coefficient of 1,3-butadiene with blood lipids and albumin.

Lin, Yu‐Sheng; Smith, Thomas J.; Wypij, David; Kelsey, Karl T.; Sacks, Frank M.

doi:10.1289/ehp.02110165

Cited by 15 publications

(14 citation statements)

References 29 publications

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“…Age does not appear to have a large effect on metabolic rate; although, older subjects have slightly higher mean level of fraction ofblood flow to fat tissue, and higher level of air/blood partition coefficient. Lin et al (2002) also reported that air/blood partition coefficient, a major factor in the uptake of BD was significantly associated with age. However, the younger group (less than 30 years) here had slightly higher K met and percent of BD metabolized at steady state, although the difference was not significant.…”

Section: Discussionmentioning

confidence: 90%

“…We have described an extension of the use of a Bayesian hierarchical physiologicallybased pharmacokinetic model to estimate the metabolic rate of BD in human subjects, which was reported earlier by Lin et al (2002) and Mezzetti et al (2003). Our question of interest here is the estimation of another quantity (percent BD metabolized at steady-state) that is equivalent to the metabolic rate, and whether this quantity differs between the sexes, race and age groups.…”

Section: Discussionmentioning

confidence: 99%

“…As described in more detail previously (Lin et al 2001(Lin et al , 2002, our study involved a group of 144 volunteers. Human subjects committee of the Harvard school of public health approved the study.…”

Section: Data Descriptionmentioning

confidence: 99%

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Estimating metabolic rate for butadiene at steady state using a Bayesian physiologically-based pharmacokinetic model

et al. 2009

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In a study of 133 volunteer subjects, demographic, physiologic and pharmacokinetic data through exposure to 1,3-Butadiene (BD) were collected in order to estimate the percentage of BD concentration metabolized at steady state, and to determine whether this percentage varies across gender, racial, and age groups. During the 20 min of continuous exposure to 2 parts per million (ppm) of BD, five measurements of exhaled concentration were made on each subject. In the following 40 min washout period, another five measurements were collected. A Bayesian hierarchical compartmental physiologically-based pharmacokinetic model (PKPB) was used. Using prior information on the model parameters, Markov Chain Monte Carlo (MCMC) simulation was conducted to obtain posterior distributions. The overall estimate of the mean percent of BD metabolized at steady state was 12.7% (95% credible interval: 7.7-17.8%). There was no significant difference in gender with males having a mean of 13.5%, and females 12.3%. Among the racial groups, Hispanic (13.9%), White (13.0%), Asian (12.1%), and Black (10.9%), the significant difference came from the difference between Black and Hispanic with a 95% credible interval from −5.63 to −0.30%. Those older than 30 years had a mean of 12.2% versus 12.9% for the Stat (2011) 18:131-146 younger group; although this was not a statistically significant difference. Given a constant inhalation input of 2 ppm, at steady state, the overall mean exhaled concentration was estimated to be 1.75 ppm (95% credible interval: 1.64-1.84). An equivalent parameter, first-order metabolic rate constant, was also estimated and found to be consistent with the percent of BD metabolized at steady state across gender, race, and age strata.123 132 Environ Ecol

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Section: Discussionmentioning

confidence: 90%

Section: Discussionmentioning

confidence: 99%

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Estimating metabolic rate for butadiene at steady state using a Bayesian physiologically-based pharmacokinetic model

et al. 2009

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“…Although inter-species differences in blood composition are relatively small (Nelson 1972;Nelson 1967), partition coefficients have been found to vary with changes in hematocrit and blood lipids (Fiserova-Bergerova 1983;Lin et al 2002). There is considerable variation in reported blood-air partition coefficients of a chemical between studies as indicated by 90% confidence intervals in Figure 1.…”

Section: Blood-air Partition Coefficientsmentioning

confidence: 98%

“…One of the most important properties in determining the respiratory kinetics of volatile chemicals in mammals is the blood-air partition coefficient (Lin et al 2002). In bioaccumulation modeling, it is common practice to assume that chemical affinity for tissues is a function of the octanol-water partition coefficient of the chemical and the fat content of the organism.…”

Section: Introductionmentioning

confidence: 99%

Bioaccumulation potential of air contaminants: Combining biological allometry, chemical equilibrium and mass-balances to predict accumulation of air pollutants in various mammals

Veltman

McKone

Huijbregts

et al. 2009

Toxicology and Applied Pharmacology

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In the present study we develop and test a uniform model intended for single compartment analysis in the context of human and environmental risk assessment of airborne contaminants. The new aspects of the model are the integration of biological allometry with fugacity-based mass-balance theory to describe exchange of contaminants with air. The developed model is applicable to various mammalian species and a range of chemicals, while requiring few and typically well-known input parameters, such as the adult mass and composition of the species, and the octanol-water and air-water partition coefficient of the chemical.Accumulation of organic chemicals is typically considered to be a function of the chemical affinity for lipid components in tissues. Here, we use a generic description of chemical affinity for neutral and polar lipids and proteins to estimate blood-air partition coefficients (K ba ) and tissue-air partition coefficients (K ta ) for various mammals. This provides a more accurate prediction of blood-air partition coefficients, as proteins make up a large fraction of total blood components.The results show that 75% of the modeled inhalation and exhalation rate constants are within a factor of 2 from independent empirical values for humans, rats and mice, and 87% of the predicted blood-air partition coefficients are within a factor of 5 from empirical data. At steady-state, the bioaccumulation potential of air pollutants is shown to be mainly a function of the tissue-air partition coefficient and the biotransformation capacity of the species and depends weakly on the ventilation rate and the cardiac output of mammals.

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Development and application of a human PBPK model for bromodichloromethane to investigate the impacts of multi‐route exposure

Kenyon

Eklund

Leavens³

et al. 2015

J of Applied Toxicology

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As a result of its presence in water as a volatile disinfection byproduct, bromodichloromethane (BDCM), which is mutagenic, poses a potential health risk from exposure via oral, dermal and inhalation routes. We developed a refined human physiologically based pharmacokinetic (PBPK) model for BDCM (including new chemical-specific human parameters) to evaluate the impact of BDCM exposure during showering and bathing on important measures of internal dose compared with oral exposure. The refined model adequately predicted data from the published literature for oral, dermal and bathing/showering exposures. A liter equivalency approach (L-eq) was used to estimate BDCM concentration in a liter of water consumed by the oral route that would be required to produce the same internal dose of BDCM resulting from a 20-min bath or a 10-min shower in water containing 10 µg l(-1) BDCM. The oral liter equivalent concentrations for the bathing scenario were 605, 803 and 5 µg l(-1) BDCM for maximum venous blood concentration (Cmax), the area under the curve (AUCv) and the amount metabolized in the liver per hour (MBDCM), respectively. For a 10-min showering exposure, the oral L-eq concentrations were 282, 312 and 2.1 µg l(-1) for Cmax, AUC and MBDCM, respectively. These results demonstrate large contributions of dermal and inhalation exposure routes to the internal dose of parent chemical reaching the systemic circulation, which could be transformed to mutagenic metabolites in extrahepatic target tissues. Thus, consideration of the contribution of multiple routes of exposure when evaluating risks from water-borne BDCM is needed, and this refined human model will facilitate improved assessment of internal doses from real-world exposures. Published 2015. This article has been contributed to by US Government employees and their work is in the public domain in the USA.

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Association of the blood/air partition coefficient of 1,3-butadiene with blood lipids and albumin.

Cited by 15 publications

References 29 publications

Estimating metabolic rate for butadiene at steady state using a Bayesian physiologically-based pharmacokinetic model

Estimating metabolic rate for butadiene at steady state using a Bayesian physiologically-based pharmacokinetic model

Bioaccumulation potential of air contaminants: Combining biological allometry, chemical equilibrium and mass-balances to predict accumulation of air pollutants in various mammals

Development and application of a human PBPK model for bromodichloromethane to investigate the impacts of multi‐route exposure

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