In Silico Estimation of Skin Concentration Following the Dermal Exposure to Chemicals
Purpose To develop an in silico method based on Fick’s law of diffusion to estimate the skin concentration following dermal exposure to chemicals with a wide range of lipophilicity. Methods Permeation experiments of various chemicals were performed through rat and porcine skin. Permeation parameters...
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| Veröffentlicht in: | Pharmaceutical research 2015-12, Vol.32 (12), p.3965-3974 |
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| container_title | Pharmaceutical research |
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| creator | Hatanaka, Tomomi Yoshida, Shun Kadhum, Wesam R. Todo, Hiroaki Sugibayashi, Kenji |
| description | Purpose
To develop an
in silico
method based on Fick’s law of diffusion to estimate the skin concentration following dermal exposure to chemicals with a wide range of lipophilicity.
Methods
Permeation experiments of various chemicals were performed through rat and porcine skin. Permeation parameters, namely, permeability coefficient and partition coefficient, were obtained by the fitting of data to two-layered and one-layered diffusion models for whole and stripped skin. The mean skin concentration of chemicals during steady-state permeation was calculated using the permeation parameters and compared with the observed values.
Results
All permeation profiles could be described by the diffusion models. The estimated skin concentrations of chemicals using permeation parameters were close to the observed levels and most data fell within the 95% confidence interval for complete prediction. The permeability coefficient and partition coefficient for stripped skin were almost constant, being independent of the permeant’s lipophilicity.
Conclusions
Skin concentration following dermal exposure to various chemicals can be accurately estimated based on Fick’s law of diffusion. This method should become a useful tool to assess the efficacy of topically applied drugs and cosmetic ingredients, as well as the risk of chemicals likely to cause skin disorders and diseases. |
| doi_str_mv | 10.1007/s11095-015-1756-5 |
| format | Article |
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To develop an
in silico
method based on Fick’s law of diffusion to estimate the skin concentration following dermal exposure to chemicals with a wide range of lipophilicity.
Methods
Permeation experiments of various chemicals were performed through rat and porcine skin. Permeation parameters, namely, permeability coefficient and partition coefficient, were obtained by the fitting of data to two-layered and one-layered diffusion models for whole and stripped skin. The mean skin concentration of chemicals during steady-state permeation was calculated using the permeation parameters and compared with the observed values.
Results
All permeation profiles could be described by the diffusion models. The estimated skin concentrations of chemicals using permeation parameters were close to the observed levels and most data fell within the 95% confidence interval for complete prediction. The permeability coefficient and partition coefficient for stripped skin were almost constant, being independent of the permeant’s lipophilicity.
Conclusions
Skin concentration following dermal exposure to various chemicals can be accurately estimated based on Fick’s law of diffusion. This method should become a useful tool to assess the efficacy of topically applied drugs and cosmetic ingredients, as well as the risk of chemicals likely to cause skin disorders and diseases.</description><identifier>ISSN: 0724-8741</identifier><identifier>EISSN: 1573-904X</identifier><identifier>DOI: 10.1007/s11095-015-1756-5</identifier><identifier>PMID: 26195007</identifier><language>eng</language><publisher>New York: Springer US</publisher><subject>Administration, Cutaneous ; Animals ; Biochemistry ; Biomedical and Life Sciences ; Biomedical Engineering and Bioengineering ; Biomedicine ; Chemicals ; Computer Simulation ; Diffusion ; Female ; Human exposure ; Male ; Medical Law ; Models, Biological ; Organic Chemicals - pharmacokinetics ; Permeability ; Pharmacology/Toxicology ; Pharmacy ; Rats ; Rats, Hairless ; Research Paper ; Skin ; Skin - metabolism ; Skin Absorption ; Swine</subject><ispartof>Pharmaceutical research, 2015-12, Vol.32 (12), p.3965-3974</ispartof><rights>Springer Science+Business Media New York 2015</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c471t-b84e598111976168ad0d93b4512387b20f62635121cff34ed61ef683bedfc173</citedby><cites>FETCH-LOGICAL-c471t-b84e598111976168ad0d93b4512387b20f62635121cff34ed61ef683bedfc173</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1007/s11095-015-1756-5$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1007/s11095-015-1756-5$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,776,780,27901,27902,41464,42533,51294</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/26195007$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Hatanaka, Tomomi</creatorcontrib><creatorcontrib>Yoshida, Shun</creatorcontrib><creatorcontrib>Kadhum, Wesam R.</creatorcontrib><creatorcontrib>Todo, Hiroaki</creatorcontrib><creatorcontrib>Sugibayashi, Kenji</creatorcontrib><title>In Silico Estimation of Skin Concentration Following the Dermal Exposure to Chemicals</title><title>Pharmaceutical research</title><addtitle>Pharm Res</addtitle><addtitle>Pharm Res</addtitle><description>Purpose
To develop an
in silico
method based on Fick’s law of diffusion to estimate the skin concentration following dermal exposure to chemicals with a wide range of lipophilicity.
Methods
Permeation experiments of various chemicals were performed through rat and porcine skin. Permeation parameters, namely, permeability coefficient and partition coefficient, were obtained by the fitting of data to two-layered and one-layered diffusion models for whole and stripped skin. The mean skin concentration of chemicals during steady-state permeation was calculated using the permeation parameters and compared with the observed values.
Results
All permeation profiles could be described by the diffusion models. The estimated skin concentrations of chemicals using permeation parameters were close to the observed levels and most data fell within the 95% confidence interval for complete prediction. The permeability coefficient and partition coefficient for stripped skin were almost constant, being independent of the permeant’s lipophilicity.
Conclusions
Skin concentration following dermal exposure to various chemicals can be accurately estimated based on Fick’s law of diffusion. This method should become a useful tool to assess the efficacy of topically applied drugs and cosmetic ingredients, as well as the risk of chemicals likely to cause skin disorders and diseases.</description><subject>Administration, Cutaneous</subject><subject>Animals</subject><subject>Biochemistry</subject><subject>Biomedical and Life Sciences</subject><subject>Biomedical Engineering and Bioengineering</subject><subject>Biomedicine</subject><subject>Chemicals</subject><subject>Computer Simulation</subject><subject>Diffusion</subject><subject>Female</subject><subject>Human exposure</subject><subject>Male</subject><subject>Medical Law</subject><subject>Models, Biological</subject><subject>Organic Chemicals - pharmacokinetics</subject><subject>Permeability</subject><subject>Pharmacology/Toxicology</subject><subject>Pharmacy</subject><subject>Rats</subject><subject>Rats, Hairless</subject><subject>Research Paper</subject><subject>Skin</subject><subject>Skin - metabolism</subject><subject>Skin Absorption</subject><subject>Swine</subject><issn>0724-8741</issn><issn>1573-904X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2015</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><sourceid>BENPR</sourceid><recordid>eNqNkUtLxDAUhYMozjj6A9xIwI2bam6aV5cyzqgguJgR3JU-Uu3YJmPSov57M1ZFBMHVJcl3zr25B6FDIKdAiDzzACThEQEegeQi4ltoDFzGUULY_TYaE0lZpCSDEdrzfkUIUZCwXTSiAhIeHMbo7trgRd3UhcUz39Vt1tXWYFvhxVNt8NSaQpvODbdz2zT2pTYPuHvU-EK7Nmvw7HVtfe807iyePuq2LrLG76OdKhR98FknaDmfLadX0c3t5fX0_CYqmIQuyhXTPFEAkEgBQmUlKZM4ZxxorGROSSWoiMMJiqqKmS4F6EqoONdlVYCMJ-hksF07-9xr36Vt7QvdNJnRtvdpWErQMkX_g1IlJKGh3wQd_0JXtncm_OODinnCKAkUDFThrPdOV-nahfW5txRIukknHdJJQzqbQUTKg-bo07nPW11-K77iCAAdAB-ezIN2P1r_6foONSGX9A</recordid><startdate>20151201</startdate><enddate>20151201</enddate><creator>Hatanaka, Tomomi</creator><creator>Yoshida, Shun</creator><creator>Kadhum, Wesam R.</creator><creator>Todo, Hiroaki</creator><creator>Sugibayashi, Kenji</creator><general>Springer US</general><general>Springer Nature B.V</general><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>3V.</scope><scope>7RV</scope><scope>7TK</scope><scope>7X7</scope><scope>7XB</scope><scope>88E</scope><scope>8AO</scope><scope>8FI</scope><scope>8FJ</scope><scope>8FK</scope><scope>ABUWG</scope><scope>AFKRA</scope><scope>BENPR</scope><scope>CCPQU</scope><scope>FYUFA</scope><scope>GHDGH</scope><scope>K9.</scope><scope>KB0</scope><scope>M0S</scope><scope>M1P</scope><scope>NAPCQ</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>PRINS</scope><scope>7X8</scope><scope>7U7</scope><scope>C1K</scope></search><sort><creationdate>20151201</creationdate><title>In Silico Estimation of Skin Concentration Following the Dermal Exposure to Chemicals</title><author>Hatanaka, Tomomi ; Yoshida, Shun ; Kadhum, Wesam R. ; Todo, Hiroaki ; Sugibayashi, Kenji</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c471t-b84e598111976168ad0d93b4512387b20f62635121cff34ed61ef683bedfc173</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2015</creationdate><topic>Administration, Cutaneous</topic><topic>Animals</topic><topic>Biochemistry</topic><topic>Biomedical and Life Sciences</topic><topic>Biomedical Engineering and Bioengineering</topic><topic>Biomedicine</topic><topic>Chemicals</topic><topic>Computer Simulation</topic><topic>Diffusion</topic><topic>Female</topic><topic>Human exposure</topic><topic>Male</topic><topic>Medical Law</topic><topic>Models, Biological</topic><topic>Organic Chemicals - pharmacokinetics</topic><topic>Permeability</topic><topic>Pharmacology/Toxicology</topic><topic>Pharmacy</topic><topic>Rats</topic><topic>Rats, Hairless</topic><topic>Research Paper</topic><topic>Skin</topic><topic>Skin - metabolism</topic><topic>Skin Absorption</topic><topic>Swine</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Hatanaka, Tomomi</creatorcontrib><creatorcontrib>Yoshida, Shun</creatorcontrib><creatorcontrib>Kadhum, Wesam R.</creatorcontrib><creatorcontrib>Todo, Hiroaki</creatorcontrib><creatorcontrib>Sugibayashi, Kenji</creatorcontrib><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>ProQuest Central (Corporate)</collection><collection>Nursing & Allied Health Database</collection><collection>Neurosciences Abstracts</collection><collection>Health & Medical Collection</collection><collection>ProQuest Central (purchase pre-March 2016)</collection><collection>Medical Database (Alumni Edition)</collection><collection>ProQuest Pharma Collection</collection><collection>Hospital Premium Collection</collection><collection>Hospital Premium Collection (Alumni Edition)</collection><collection>ProQuest Central (Alumni) (purchase pre-March 2016)</collection><collection>ProQuest Central (Alumni Edition)</collection><collection>ProQuest Central UK/Ireland</collection><collection>ProQuest Central</collection><collection>ProQuest One Community College</collection><collection>Health Research Premium Collection</collection><collection>Health Research Premium Collection (Alumni)</collection><collection>ProQuest Health & Medical Complete (Alumni)</collection><collection>Nursing & Allied Health Database (Alumni Edition)</collection><collection>Health & Medical Collection (Alumni Edition)</collection><collection>Medical Database</collection><collection>Nursing & Allied Health Premium</collection><collection>ProQuest One Academic Eastern Edition (DO NOT USE)</collection><collection>ProQuest One Academic</collection><collection>ProQuest One Academic UKI Edition</collection><collection>ProQuest Central China</collection><collection>MEDLINE - Academic</collection><collection>Toxicology Abstracts</collection><collection>Environmental Sciences and Pollution Management</collection><jtitle>Pharmaceutical research</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Hatanaka, Tomomi</au><au>Yoshida, Shun</au><au>Kadhum, Wesam R.</au><au>Todo, Hiroaki</au><au>Sugibayashi, Kenji</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>In Silico Estimation of Skin Concentration Following the Dermal Exposure to Chemicals</atitle><jtitle>Pharmaceutical research</jtitle><stitle>Pharm Res</stitle><addtitle>Pharm Res</addtitle><date>2015-12-01</date><risdate>2015</risdate><volume>32</volume><issue>12</issue><spage>3965</spage><epage>3974</epage><pages>3965-3974</pages><issn>0724-8741</issn><eissn>1573-904X</eissn><abstract>Purpose
To develop an
in silico
method based on Fick’s law of diffusion to estimate the skin concentration following dermal exposure to chemicals with a wide range of lipophilicity.
Methods
Permeation experiments of various chemicals were performed through rat and porcine skin. Permeation parameters, namely, permeability coefficient and partition coefficient, were obtained by the fitting of data to two-layered and one-layered diffusion models for whole and stripped skin. The mean skin concentration of chemicals during steady-state permeation was calculated using the permeation parameters and compared with the observed values.
Results
All permeation profiles could be described by the diffusion models. The estimated skin concentrations of chemicals using permeation parameters were close to the observed levels and most data fell within the 95% confidence interval for complete prediction. The permeability coefficient and partition coefficient for stripped skin were almost constant, being independent of the permeant’s lipophilicity.
Conclusions
Skin concentration following dermal exposure to various chemicals can be accurately estimated based on Fick’s law of diffusion. This method should become a useful tool to assess the efficacy of topically applied drugs and cosmetic ingredients, as well as the risk of chemicals likely to cause skin disorders and diseases.</abstract><cop>New York</cop><pub>Springer US</pub><pmid>26195007</pmid><doi>10.1007/s11095-015-1756-5</doi><tpages>10</tpages></addata></record> |
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| subjects | Administration, Cutaneous Animals Biochemistry Biomedical and Life Sciences Biomedical Engineering and Bioengineering Biomedicine Chemicals Computer Simulation Diffusion Female Human exposure Male Medical Law Models, Biological Organic Chemicals - pharmacokinetics Permeability Pharmacology/Toxicology Pharmacy Rats Rats, Hairless Research Paper Skin Skin - metabolism Skin Absorption Swine |
| title | In Silico Estimation of Skin Concentration Following the Dermal Exposure to Chemicals |
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