An experimentally based approach for predicting skin permeability of chemicals and drugs using a membrane-coated fiber array

Xia, Xin‐Rui; Baynes, Ronald E.; Monteiro‐Riviere, Nancy A.; Riviere, Jim E.

doi:10.1016/j.taap.2007.03.026

Cited by 30 publications

(17 citation statements)

References 23 publications

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“…Dicloran and hexachlorobenzene show the lowest skin permeability. The only experimental log K p value found in the literature was for chlorobenzene in porcine skin (log K p = − 0.998; Xia et al, 2007), which agrees with the high permeability predicted in BMC.…”

Section: Permeability Profile Estimation Of Organochlorine Compoundssupporting

confidence: 82%

Permeability and toxicological profile estimation of organochlorine compounds by biopartitioning micellar chromatography

Escuder-Gilabert

Villanueva-Camañas

Sagrado

et al. 2008

Biomedical Chromatography

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This paper points out the usefulness of biopartitioning micellar chromatography (BMC) as a high-throughput primary screening tool providing key information about the oral absorption, skin permeability (K(p)), brain-blood distribution coefficient (BB) and ecotoxicological parameters such as median lethal concentration (LC(50)) and bioconcentration factors of 15 organochloride compounds. The retention data of compounds in BMC conditions were interpolated in previously developed quantitative-retention activity relationships by our research group. Results show that the compounds studied readily cross the intestinal barrier (oral absorption > 90%) and the blood-brain barrier (log BB > 0.4). In addition, the organochlorines DDE, chlorobenzene, 1,3-dichlorobenzene and 1,2-dichlorobenzene are the compounds which can more quickly cross the skin barrier (log K(p ) > -0.74 cm/h). From a ecotoxicological point of view, it can be concluded that the most retained compounds, DDE, DDD, hexachlorobenzene and dicofol, are the most toxic and bioacumulative.

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Section: Permeability Profile Estimation Of Organochlorine Compoundssupporting

confidence: 82%

Permeability and toxicological profile estimation of organochlorine compounds by biopartitioning micellar chromatography

Escuder-Gilabert

Villanueva-Camañas

Sagrado

et al. 2008

Biomedical Chromatography

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“…Primary standards of probe compounds were prepared in methanol at concentrations that permitted the addition of a minimum volume of methanol (5 μL) in the solution used for adsorption experiments to minimize its effect on the capacity of the SPME fiber. The compounds tested represented a group of substances with chemical structures that have been widely used for quantitative structure–activity relationship (QSAR) models [ 17 , 18 ].…”

Section: Experimental Approachmentioning

confidence: 99%

Solid-phase microextraction/gas chromatography–mass spectrometry method optimization for characterization of surface adsorption forces of nanoparticles

et al. 2014

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A complete characterization of the different physico-chemical properties of nanoparticles (NPs) is necessary for the evaluation of their impact on health and environment. Among these properties, the surface characterization of the nanomaterial is the least developed and in many cases limited to the measurement of surface composition and zetapotential. The biological surface adsorption index approach (BSAI) for characterization of surface adsorption properties of NPs has recently been introduced (Xia et al. Nat Nanotechnol 5:671–675, 2010; Xia et al. ACS Nano 5(11):9074–9081, 2011). The BSAI approach offers in principle the possibility to characterize the different interaction forces exerted between a NP's surface and an organic—and by extension biological—entity. The present work further develops the BSAI approach and optimizes a solid-phase microextraction gas chromatography–mass spectrometry (SPME/GC-MS) method which, as an outcome, gives a better-defined quantification of the adsorption properties on NPs. We investigated the various aspects of the SPME/GC-MS method, including kinetics of adsorption of probe compounds on SPME fiber, kinetic of adsorption of probe compounds on NP's surface, and optimization of NP's concentration. The optimized conditions were then tested on 33 probe compounds and on Au NPs (15 nm) and SiO2 NPs (50 nm). The procedure allowed the identification of three compounds adsorbed by silica NPs and nine compounds by Au NPs, with equilibrium times which varied between 30 min and 12 h. Adsorption coefficients of 4.66 ± 0.23 and 4.44 ± 0.26 were calculated for 1-methylnaphtalene and biphenyl, compared to literature values of 4.89 and 5.18, respectively. The results demonstrated that the detailed optimization of the SPME/GC-MS method under various conditions is a critical factor and a prerequisite to the application of the BSAI approach as a tool to characterize surface adsorption properties of NPs and therefore to draw any further conclusions on their potential impact on health.Graphical AbstractThe basic principle of SPME/GC-MS method for characterization of nanoparticles surface adsorption forces

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“…The predictive model previously described [24] for the three-MCF array for skin permeability of the 25 solutes in water is as follows:…”

Section: Predictive Mcf Model Of Skin Permeability In Ethanolmentioning

confidence: 99%

A solvatochromatic approach to quantifying formulation effects on dermal permeability

Baynes

Xia

Vijay

et al. 2008

SAR and QSAR in Environmental Research

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Dermal risk assessments are most often concerned with the occupational and environmental exposure to a single chemical and then determining solute permeability through in vitro or in vivo experimentation with various animal models and/or computational approaches. Oftentimes, the skin is exposed to more than one chemical that could potentially modulate dermal permeability of the chemical that could cause adverse health effects. The focus of this article is to demonstrate that these formulation effects on dermal permeability can occur with simple solvent formulations or complex industrial formulations and that these effects can be modeled within the context of a linear solvation energy relationship (LSER). This research demonstrated that formulation-specific strength coefficients (r p a b v) predicted (r(2) = 0.75-0.83) changes in the dermal permeability of phenolic compounds when formulated with commercial metal-working fluid (MWF) formulations or 50% ethanol. Further experimentation demonstrated that chemical-induced changes in skin permeability with 50% ethanol are strongly correlated (r(2) = 0.91) to similar changes in an inert membrane-coated fiber (MCF) array system consisting of three chemically diverse membranes. Changes in specific strength coefficients pertaining to changes in hydrogen donating ability (Deltab) and hydrophobicity (Deltav) across membrane systems were identified as important quantitative interactions associated with ethanol mixtures. This solvatochromatic approach along with the use of a MCF array system holds promise for predicting dermal permeability of complex chemical formulations in occupational exposures where performance additives can potentially modulate permeability of potential toxicants.

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An experimentally based approach for predicting skin permeability of chemicals and drugs using a membrane-coated fiber array

Cited by 30 publications

References 23 publications

Permeability and toxicological profile estimation of organochlorine compounds by biopartitioning micellar chromatography

Permeability and toxicological profile estimation of organochlorine compounds by biopartitioning micellar chromatography

Solid-phase microextraction/gas chromatography–mass spectrometry method optimization for characterization of surface adsorption forces of nanoparticles

A solvatochromatic approach to quantifying formulation effects on dermal permeability

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