Critical micelle concentrations of different classes of surfactants: A quantitative structure property relationship study
The critical micelle concentration (CMC) values of a 49‐surfactant dataset, among them 30 derived from α‐hydroxy acids or from gluconolactone synthesized and characterized in our laboratory, were subjected to Quantitative Structure Property Relationship (QSPR) studies. In this study, a principal com...
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| Veröffentlicht in: | Journal of surfactants and detergents 2002-01, Vol.5 (1), p.45-53 |
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| container_title | Journal of surfactants and detergents |
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| creator | Anoune, Naoual Nouiri, Moustapha Berrah, Yacine Gauvrit, Jean‐Yves Lanteri, Pierre |
| description | The critical micelle concentration (CMC) values of a 49‐surfactant dataset, among them 30 derived from α‐hydroxy acids or from gluconolactone synthesized and characterized in our laboratory, were subjected to Quantitative Structure Property Relationship (QSPR) studies. In this study, a principal component analysis (PCA) was used to compare the behavior of the synthesized surfactants to commercial ones that are used as detergents. The PCA shows the importance of the molecular structure of a surfactant in determining its activity (application field). We found that gluconolactone derivatives exhibited the same activity as those observed for glucopyranoside derivatives. A partial least squares regression was used to build a model that describes the CMC of diverse surfactants as a function of molecular descriptors. |
| doi_str_mv | 10.1007/s11743-002-0204-2 |
| format | Article |
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A partial least squares regression was used to build a model that describes the CMC of diverse surfactants as a function of molecular descriptors.</description><subject>Ceriu2</subject><subject>critical micelle concentration</subject><subject>Detergents</subject><subject>molecular descriptors</subject><subject>partial least squares</subject><subject>principal component analysis</subject><subject>Principal components analysis</subject><subject>QSPR</subject><subject>Surfactants</subject><subject>topological index</subject><subject>α‐hydroxy acids</subject><issn>1097-3958</issn><issn>1558-9293</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2002</creationdate><recordtype>article</recordtype><sourceid>BENPR</sourceid><recordid>eNqFUMlOwzAQtRBIlOUDuFncDePYbmJuVSmbKnEAzpbj2MJVmrS2A8rf4xLunOZp3jKjh9AVhRsKUN5GSkvOCEBBoABOiiM0o0JURBaSHWcMsiRMiuoUncW4yTrKhZihcRl88ka3eOuNbVuLTd8Z26Wgk--7iHuHG--cDXmHTatjtL_LOASnTdJdind4gfdDRj5l05fFMYXBpCFYvAv9zoY04mDbKfDT7zI_NOMFOnG6jfbyb56jj4fV-_KJrF8fn5eLNTGMVoI0wgIrnINausZRJpmUvGJc21I3dF5zkSk2N1BpqevaUVtBMWcgq6aqS96wc3Q95eZf9oONSW36IXT5pJIFYxKAFllEJ5EJfYzBOrULfqvDqCioQ8FqKljl4tShYHXwlJPn27d2_N-gXt7uVwBcsB-YpoGo</recordid><startdate>200201</startdate><enddate>200201</enddate><creator>Anoune, Naoual</creator><creator>Nouiri, Moustapha</creator><creator>Berrah, Yacine</creator><creator>Gauvrit, Jean‐Yves</creator><creator>Lanteri, Pierre</creator><general>Springer-Verlag</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope><scope>3V.</scope><scope>4T-</scope><scope>7QH</scope><scope>7UA</scope><scope>7XB</scope><scope>88I</scope><scope>8AO</scope><scope>8FE</scope><scope>8FG</scope><scope>8FK</scope><scope>ABJCF</scope><scope>ABUWG</scope><scope>AEUYN</scope><scope>AFKRA</scope><scope>AZQEC</scope><scope>BENPR</scope><scope>BGLVJ</scope><scope>BHPHI</scope><scope>BKSAR</scope><scope>C1K</scope><scope>CCPQU</scope><scope>D1I</scope><scope>DWQXO</scope><scope>F1W</scope><scope>GNUQQ</scope><scope>H97</scope><scope>HCIFZ</scope><scope>KB.</scope><scope>L.G</scope><scope>M2P</scope><scope>PCBAR</scope><scope>PDBOC</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>Q9U</scope></search><sort><creationdate>200201</creationdate><title>Critical micelle concentrations of different classes of surfactants: A quantitative structure property relationship study</title><author>Anoune, Naoual ; 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| source | Wiley Online Library Journals Frontfile Complete |
| subjects | Ceriu2 critical micelle concentration Detergents molecular descriptors partial least squares principal component analysis Principal components analysis QSPR Surfactants topological index α‐hydroxy acids |
| title | Critical micelle concentrations of different classes of surfactants: A quantitative structure property relationship study |
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