Abnormal behaviors in the calibration curves of liquid chromatography–tandem mass spectrometry occurring in the quantitative analysis of surfactants near critical micelle concentrations
Surfactants, including quaternary ammonium compounds, are widely used in daily life as part of consumer chemical products and, more recently, in the shale oil industry. Because of their unique amphiphilic properties, surfactants form micelles at concentrations above a certain threshold known as the...
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| Veröffentlicht in: | Journal of mass spectrometry. 2021-04, Vol.56 (4), p.e4599-n/a |
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| description | Surfactants, including quaternary ammonium compounds, are widely used in daily life as part of consumer chemical products and, more recently, in the shale oil industry. Because of their unique amphiphilic properties, surfactants form micelles at concentrations above a certain threshold known as the critical micelle concentration (CMC). A previous electrospray ionization mass spectrometry studies conducted by Siuzdak et al. and others presented indirect evidence regarding micelle formation. Herein, we have used liquid chromatography–tandem mass spectrometry to explore how such micelle formations affect the quantitative analysis of surfactants. Results reveal abnormal behaviors in the calibration plots of a few selected anionic and cationic surfactants, such as sodium decyl sulfate (SDeS), sodium dodecyl sulfate (SDS), myristyltrimethylammonium bromide (MTAB), and benzyldimethyloctadecylammonium chloride (BAC‐18). At concentrations close to the respective CMCs of these surfactants, the calibration plot for MTAB flattened, whereas the slopes of the calibration plots for SDeS, SDS, and BAC‐18 suddenly changed. These abnormal behaviors can be related to micelle formation. From a practical perspective, the above observations suggest that in the quantitative analysis of surfactants, high micelle concentrations close to the CMC should be avoided to obtain accurate surfactant measurements. |
| doi_str_mv | 10.1002/jms.4599 |
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Because of their unique amphiphilic properties, surfactants form micelles at concentrations above a certain threshold known as the critical micelle concentration (CMC). A previous electrospray ionization mass spectrometry studies conducted by Siuzdak et al. and others presented indirect evidence regarding micelle formation. Herein, we have used liquid chromatography–tandem mass spectrometry to explore how such micelle formations affect the quantitative analysis of surfactants. Results reveal abnormal behaviors in the calibration plots of a few selected anionic and cationic surfactants, such as sodium decyl sulfate (SDeS), sodium dodecyl sulfate (SDS), myristyltrimethylammonium bromide (MTAB), and benzyldimethyloctadecylammonium chloride (BAC‐18). At concentrations close to the respective CMCs of these surfactants, the calibration plot for MTAB flattened, whereas the slopes of the calibration plots for SDeS, SDS, and BAC‐18 suddenly changed. These abnormal behaviors can be related to micelle formation. From a practical perspective, the above observations suggest that in the quantitative analysis of surfactants, high micelle concentrations close to the CMC should be avoided to obtain accurate surfactant measurements.</description><identifier>ISSN: 1076-5174</identifier><identifier>EISSN: 1096-9888</identifier><identifier>DOI: 10.1002/jms.4599</identifier><identifier>PMID: 32677769</identifier><language>eng</language><publisher>England: Wiley Subscription Services, Inc</publisher><subject>Ammonium ; Ammonium compounds ; Anions ; Calibration ; Cations ; Chromatography ; Ionization ; Ions ; LC‐MS ; Liquid chromatography ; Mass spectrometry ; Mass spectroscopy ; micelle ; micelle formation concentration (CMC) ; Micelles ; Oil and gas industry ; Oil shale ; Quantitative analysis ; Quaternary ; quaternary ammonium compound (QAC) ; Quaternary ammonium compounds ; Quaternary ammonium salts ; Scientific imaging ; Sedimentary rocks ; Shale ; Shale oil ; Sodium ; Sodium dodecyl sulfate ; Sodium lauryl sulfate ; Spectroscopy ; Sulfates ; surfactant ; Surfactants</subject><ispartof>Journal of mass spectrometry., 2021-04, Vol.56 (4), p.e4599-n/a</ispartof><rights>2020 John Wiley & Sons, Ltd.</rights><rights>2021 John Wiley & Sons, Ltd.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><cites>FETCH-LOGICAL-c3109-ba474704ff8764e98430b2717b0c4364545e87417bd82f003a6e21c8a73fc4f63</cites><orcidid>0000-0001-5900-2623 ; 0000-0001-7919-0393 ; 0000-0002-6341-7562</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://onlinelibrary.wiley.com/doi/pdf/10.1002%2Fjms.4599$$EPDF$$P50$$Gwiley$$H</linktopdf><linktohtml>$$Uhttps://onlinelibrary.wiley.com/doi/full/10.1002%2Fjms.4599$$EHTML$$P50$$Gwiley$$H</linktohtml><link.rule.ids>314,780,784,1417,27924,27925,45574,45575</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/32677769$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Lee, Sang Tak</creatorcontrib><creatorcontrib>Kim, Hyeri</creatorcontrib><creatorcontrib>Kwon, Jung‐Hwan</creatorcontrib><creatorcontrib>Oh, Han Bin</creatorcontrib><title>Abnormal behaviors in the calibration curves of liquid chromatography–tandem mass spectrometry occurring in the quantitative analysis of surfactants near critical micelle concentrations</title><title>Journal of mass spectrometry.</title><addtitle>J Mass Spectrom</addtitle><description>Surfactants, including quaternary ammonium compounds, are widely used in daily life as part of consumer chemical products and, more recently, in the shale oil industry. 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From a practical perspective, the above observations suggest that in the quantitative analysis of surfactants, high micelle concentrations close to the CMC should be avoided to obtain accurate surfactant measurements.</description><subject>Ammonium</subject><subject>Ammonium compounds</subject><subject>Anions</subject><subject>Calibration</subject><subject>Cations</subject><subject>Chromatography</subject><subject>Ionization</subject><subject>Ions</subject><subject>LC‐MS</subject><subject>Liquid chromatography</subject><subject>Mass spectrometry</subject><subject>Mass spectroscopy</subject><subject>micelle</subject><subject>micelle formation concentration (CMC)</subject><subject>Micelles</subject><subject>Oil and gas industry</subject><subject>Oil shale</subject><subject>Quantitative analysis</subject><subject>Quaternary</subject><subject>quaternary ammonium compound (QAC)</subject><subject>Quaternary ammonium compounds</subject><subject>Quaternary ammonium salts</subject><subject>Scientific imaging</subject><subject>Sedimentary rocks</subject><subject>Shale</subject><subject>Shale oil</subject><subject>Sodium</subject><subject>Sodium dodecyl sulfate</subject><subject>Sodium lauryl sulfate</subject><subject>Spectroscopy</subject><subject>Sulfates</subject><subject>surfactant</subject><subject>Surfactants</subject><issn>1076-5174</issn><issn>1096-9888</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><recordid>eNp1kc1u1DAURiMEoqUg8QTIEhs2KY7jxPGyqsqfilgA6-jGc9PxKLZnfJ1B2fEOPA5vw5Pg6bQgIbGyLR8ffddfUTyv-HnFuXi9cXQuG60fFKcV122pu657eNirtmwqJU-KJ0QbzrnWsn1cnNSiVUq1-rT4eTH4EB1MbMA17G2IxKxnaY3MwGSHCMkGz8wc90gsjGyyu9mumFnH4CCFmwjb9fLr-48EfoWOOSBitEWT8j2muLBg8uNo_c29dzeDTzZl8R4ZeJgWsrdqmuMIJosSMY8QmYk22RyDOWtwmnKk4A36dAxFT4tHI0yEz-7Ws-Lrm6svl-_K609v319eXJemzr9RDiCVVFyOY6daibqTNR-EqtTAjaxb2cgGOyXzedWJkfMaWhSV6UDVo5FjW58Vr47ebQy7GSn1ztIhEHgMM_VCCqm1FlJm9OU_6CbMMc-YqaaSuRZRNX-FJgaiiGO_jdZBXPqK94dC-1xofyg0oy_uhPPgcPUHvG8wA-UR-GYnXP4r6j98_Hwr_A0dcK_W</recordid><startdate>202104</startdate><enddate>202104</enddate><creator>Lee, Sang Tak</creator><creator>Kim, Hyeri</creator><creator>Kwon, Jung‐Hwan</creator><creator>Oh, Han Bin</creator><general>Wiley Subscription Services, Inc</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7QF</scope><scope>7QO</scope><scope>7QP</scope><scope>7QQ</scope><scope>7QR</scope><scope>7SC</scope><scope>7SE</scope><scope>7SP</scope><scope>7SR</scope><scope>7TA</scope><scope>7TB</scope><scope>7TK</scope><scope>7U5</scope><scope>7U7</scope><scope>8BQ</scope><scope>8FD</scope><scope>C1K</scope><scope>F1W</scope><scope>F28</scope><scope>FR3</scope><scope>H8D</scope><scope>H8G</scope><scope>H97</scope><scope>JG9</scope><scope>JQ2</scope><scope>K9.</scope><scope>KR7</scope><scope>L.G</scope><scope>L7M</scope><scope>L~C</scope><scope>L~D</scope><scope>P64</scope><scope>7X8</scope><orcidid>https://orcid.org/0000-0001-5900-2623</orcidid><orcidid>https://orcid.org/0000-0001-7919-0393</orcidid><orcidid>https://orcid.org/0000-0002-6341-7562</orcidid></search><sort><creationdate>202104</creationdate><title>Abnormal behaviors in the calibration curves of liquid chromatography–tandem mass spectrometry occurring in the quantitative analysis of surfactants near critical micelle concentrations</title><author>Lee, Sang Tak ; 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Because of their unique amphiphilic properties, surfactants form micelles at concentrations above a certain threshold known as the critical micelle concentration (CMC). A previous electrospray ionization mass spectrometry studies conducted by Siuzdak et al. and others presented indirect evidence regarding micelle formation. Herein, we have used liquid chromatography–tandem mass spectrometry to explore how such micelle formations affect the quantitative analysis of surfactants. Results reveal abnormal behaviors in the calibration plots of a few selected anionic and cationic surfactants, such as sodium decyl sulfate (SDeS), sodium dodecyl sulfate (SDS), myristyltrimethylammonium bromide (MTAB), and benzyldimethyloctadecylammonium chloride (BAC‐18). At concentrations close to the respective CMCs of these surfactants, the calibration plot for MTAB flattened, whereas the slopes of the calibration plots for SDeS, SDS, and BAC‐18 suddenly changed. These abnormal behaviors can be related to micelle formation. From a practical perspective, the above observations suggest that in the quantitative analysis of surfactants, high micelle concentrations close to the CMC should be avoided to obtain accurate surfactant measurements.</abstract><cop>England</cop><pub>Wiley Subscription Services, Inc</pub><pmid>32677769</pmid><doi>10.1002/jms.4599</doi><tpages>7</tpages><orcidid>https://orcid.org/0000-0001-5900-2623</orcidid><orcidid>https://orcid.org/0000-0001-7919-0393</orcidid><orcidid>https://orcid.org/0000-0002-6341-7562</orcidid></addata></record> |
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| subjects | Ammonium Ammonium compounds Anions Calibration Cations Chromatography Ionization Ions LC‐MS Liquid chromatography Mass spectrometry Mass spectroscopy micelle micelle formation concentration (CMC) Micelles Oil and gas industry Oil shale Quantitative analysis Quaternary quaternary ammonium compound (QAC) Quaternary ammonium compounds Quaternary ammonium salts Scientific imaging Sedimentary rocks Shale Shale oil Sodium Sodium dodecyl sulfate Sodium lauryl sulfate Spectroscopy Sulfates surfactant Surfactants |
| title | Abnormal behaviors in the calibration curves of liquid chromatography–tandem mass spectrometry occurring in the quantitative analysis of surfactants near critical micelle concentrations |
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