{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,13]],"date-time":"2025-11-13T12:29:23Z","timestamp":1763036963377,"version":"build-2065373602"},"reference-count":52,"publisher":"Wiley","issue":"6","license":[{"start":{"date-parts":[[2016,2,18]],"date-time":"2016-02-18T00:00:00Z","timestamp":1455753600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"name":"Biota-FAPESP Program","award":["2011\/50816-1"],"award-info":[{"award-number":["2011\/50816-1"]}]},{"name":"CEPID Program though CIBFar Project","award":["2013\/07600-3"],"award-info":[{"award-number":["2013\/07600-3"]}]},{"DOI":"10.13039\/501100001807","name":"FAPESP","doi-asserted-by":"crossref","award":["2010\/17935-4"],"award-info":[{"award-number":["2010\/17935-4"]}],"id":[{"id":"10.13039\/501100001807","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J of Separation Science"],"published-print":{"date-parts":[[2016,3]]},"abstract":"<jats:p>A major challenge in metabolomic studies is how to extract and analyze an entire metabolome. So far, no single method was able to clearly complete this task in an efficient and reproducible way. In this work we proposed a sequential strategy for the extraction and chromatographic separation of metabolites from leaves <jats:italic>Jatropha gossypifolia<\/jats:italic> using a design of experiments and partial least square model. The effect of 14 different solvents on extraction process was evaluated and an optimized separation condition on liquid chromatography was estimated considering mobile phase composition and analysis time. The initial conditions of extraction using methanol and separation in 30 min between 5 and 100% water\/methanol (1:1 v\/v) with 0.1% of acetic acid, 20 \u03bcL sample volume, 3.0 mL min<jats:sup>\u22121<\/jats:sup> flow rate and 25\u00b0C column temperature led to 107 chromatographic peaks. After the optimization strategy using <jats:italic>i<\/jats:italic>\u2010propanol\/chloroform (1:1 v\/v) for extraction, linear gradient elution of 60 min between 5 and 100% water\/(acetonitrile\/methanol 68:32 v\/v with 0.1% of acetic acid), 30 \u03bcL sample volume, 2.0 mL min<jats:sup>\u22121<\/jats:sup> flow rate, and 30\u00b0C column temperature, we detected 140 chromatographic peaks, 30.84% more peaks compared to initial method. This is a reliable strategy using a limited number of experiments for metabolomics protocols.<\/jats:p>","DOI":"10.1002\/jssc.201500892","type":"journal-article","created":{"date-parts":[[2016,1,12]],"date-time":"2016-01-12T09:24:12Z","timestamp":1452590652000},"page":"1023-1030","source":"Crossref","is-referenced-by-count":12,"title":["Partial least squares model and design of experiments toward the analysis of the metabolome of <i>Jatropha gossypifolia<\/i> leaves: Extraction and chromatographic fingerprint optimization"],"prefix":"10.1002","volume":"39","author":[{"given":"Alan Cesar","family":"Pilon","sequence":"first","affiliation":[{"name":"Nucleus of Bioassays, Biosynthesis and Ecophysiology of Natural Products \u2013 NuBBE, S\u00e3o Paulo State University \u2013 UNESP \u2013 Chemistry Institute, Department of Organic Chemistry  Araraquara S\u00e3o Paulo Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Fausto","family":"Carnevale Neto","sequence":"additional","affiliation":[{"name":"Nucleus of Bioassays, Biosynthesis and Ecophysiology of Natural Products \u2013 NuBBE, S\u00e3o Paulo State University \u2013 UNESP \u2013 Chemistry Institute, Department of Organic Chemistry  Araraquara S\u00e3o Paulo Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Rafael Teixeira","family":"Freire","sequence":"additional","affiliation":[{"name":"Nucleus of Bioassays, Biosynthesis and Ecophysiology of Natural Products \u2013 NuBBE, S\u00e3o Paulo State University \u2013 UNESP \u2013 Chemistry Institute, Department of Organic Chemistry  Araraquara S\u00e3o Paulo Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Patr\u00edcia","family":"Cardoso","sequence":"additional","affiliation":[{"name":"Nucleus of Bioassays, Biosynthesis and Ecophysiology of Natural Products \u2013 NuBBE, S\u00e3o Paulo State University \u2013 UNESP \u2013 Chemistry Institute, Department of Organic Chemistry  Araraquara S\u00e3o Paulo Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Renato Lajarim","family":"Carneiro","sequence":"additional","affiliation":[{"name":"S\u00e3o Carlos Federal University \u2013 UFSCar \u2013 CCET \u2013 Department of Chemistry, Rodovia Washington Luiz  S\u00e3o Carlos S\u00e3o Paulo Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Vanderlan","family":"Da Silva Bolzani","sequence":"additional","affiliation":[{"name":"Nucleus of Bioassays, Biosynthesis and Ecophysiology of Natural Products \u2013 NuBBE, S\u00e3o Paulo State University \u2013 UNESP \u2013 Chemistry Institute, Department of Organic Chemistry  Araraquara S\u00e3o Paulo Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ian","family":"Castro\u2010Gamboa","sequence":"additional","affiliation":[{"name":"Nucleus of Bioassays, Biosynthesis and Ecophysiology of Natural Products \u2013 NuBBE, S\u00e3o Paulo State University \u2013 UNESP \u2013 Chemistry Institute, Department of Organic Chemistry  Araraquara S\u00e3o Paulo Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2016,2,18]]},"reference":[{"key":"e_1_2_8_2_1","doi-asserted-by":"publisher","DOI":"10.1023\/A:1013713905833"},{"key":"e_1_2_8_3_1","first-page":"1056","volume":"20","author":"Wolfender J.\u2010L.","year":"2013","journal-title":"Curr. Med. Chem."},{"key":"e_1_2_8_4_1","doi-asserted-by":"publisher","DOI":"10.1038\/4551054a"},{"key":"e_1_2_8_5_1","doi-asserted-by":"publisher","DOI":"10.1002\/ptr.3258"},{"key":"e_1_2_8_6_1","doi-asserted-by":"publisher","DOI":"10.1038\/nbt1041"},{"key":"e_1_2_8_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.anaerobe.2014.05.007"},{"key":"e_1_2_8_8_1","first-page":"1","volume-title":"The Role of Metabolomics in Systems Biology","author":"Nielsen J.","year":"2007"},{"key":"e_1_2_8_9_1","doi-asserted-by":"publisher","DOI":"10.1146\/annurev.arplant.043008.092035"},{"key":"e_1_2_8_10_1","doi-asserted-by":"publisher","DOI":"10.1007\/s11101-010-9175-z"},{"key":"e_1_2_8_11_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.tplants.2004.07.004"},{"key":"e_1_2_8_12_1","doi-asserted-by":"publisher","DOI":"10.1111\/j.1469-8137.2005.01632.x"},{"key":"e_1_2_8_13_1","doi-asserted-by":"publisher","DOI":"10.1002\/pca.2505"},{"key":"e_1_2_8_14_1","doi-asserted-by":"publisher","DOI":"10.1038\/nprot.2009.237"},{"key":"e_1_2_8_15_1","doi-asserted-by":"publisher","DOI":"10.1002\/jssc.201101037"},{"key":"e_1_2_8_16_1","doi-asserted-by":"crossref","first-page":"855","DOI":"10.1016\/j.trac.2007.08.003","volume":"26","author":"Moco S.","year":"2007","journal-title":"Trends Anal. Chem."},{"key":"e_1_2_8_17_1","doi-asserted-by":"publisher","DOI":"10.1002\/pca.1188"},{"key":"e_1_2_8_18_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.trac.2007.11.005"},{"key":"e_1_2_8_19_1","doi-asserted-by":"publisher","DOI":"10.1002\/jssc.201401324"},{"key":"e_1_2_8_20_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.trac.2009.12.003"},{"key":"e_1_2_8_21_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.trac.2009.12.004"},{"key":"e_1_2_8_22_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.aca.2011.06.056"},{"key":"e_1_2_8_23_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.aca.2009.06.015"},{"key":"e_1_2_8_24_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.chroma.2005.01.035"},{"key":"e_1_2_8_25_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.foodchem.2010.09.079"},{"key":"e_1_2_8_26_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.chroma.2008.12.093"},{"volume-title":"Statistical Design\u2010Chemometrics","year":"2006","author":"Barros Neto B.","key":"e_1_2_8_27_1"},{"key":"e_1_2_8_28_1","doi-asserted-by":"publisher","DOI":"10.1002\/9780470057780"},{"volume-title":"Chemometrics: A Textbook","year":"1988","author":"Massart D. L.","key":"e_1_2_8_29_1"},{"volume-title":"Comprehensive Chemometrics","year":"2009","author":"Brown S.","key":"e_1_2_8_30_1"},{"key":"e_1_2_8_31_1","doi-asserted-by":"publisher","DOI":"10.1002\/jssc.200600321"},{"key":"e_1_2_8_32_1","doi-asserted-by":"publisher","DOI":"10.1002\/jssc.201300955"},{"key":"e_1_2_8_33_1","unstructured":"F\u00e9lix\u2010Silva J. Giordani R. B. daSilva\u2010Jr A. A. Zucolotto S. M. Fernandes\u2010Pedrosa M. F. Evidence\u2010Based Complementary and Alternative Medicine in press. DOI:\u00a010.1155\/2014\/369204."},{"key":"e_1_2_8_34_1","doi-asserted-by":"publisher","DOI":"10.1002\/cbdv.200700461"},{"key":"e_1_2_8_35_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.chemosphere.2004.12.078"},{"key":"e_1_2_8_36_1","first-page":"197","volume-title":"Anticancer Potential of Northeast Brazilian plants","author":"Pessoa C.","year":"2006"},{"key":"e_1_2_8_37_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.fitote.2003.07.002"},{"key":"e_1_2_8_38_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jep.2006.12.031"},{"key":"e_1_2_8_39_1","doi-asserted-by":"publisher","DOI":"10.1021\/np50084a017"},{"key":"e_1_2_8_40_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0031-9422(00)80544-0"},{"key":"e_1_2_8_41_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0305-1978(00)00049-1"},{"key":"e_1_2_8_42_1","doi-asserted-by":"publisher","DOI":"10.1016\/0031-9422(71)85055-0"},{"key":"e_1_2_8_43_1","doi-asserted-by":"publisher","DOI":"10.1055\/s-2006-957795"},{"key":"e_1_2_8_44_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.chemolab.2010.04.016"},{"key":"e_1_2_8_45_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.chemolab.2006.08.003"},{"key":"e_1_2_8_46_1","doi-asserted-by":"publisher","DOI":"10.1021\/cr020750m"},{"key":"e_1_2_8_47_1","doi-asserted-by":"publisher","DOI":"10.1021\/ci980226"},{"key":"e_1_2_8_48_1","doi-asserted-by":"publisher","DOI":"10.1039\/cs9932200409"},{"key":"e_1_2_8_49_1","doi-asserted-by":"publisher","DOI":"10.1021\/je800593p"},{"key":"e_1_2_8_50_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0378-3812(98)00367-7"},{"volume-title":"Physical Chemistry","year":"1962","author":"Moore W. J.","key":"e_1_2_8_51_1"},{"volume-title":"Introduction to Modern Liquid Chromatography","year":"2010","author":"Snyder L. R.","key":"e_1_2_8_52_1"},{"key":"e_1_2_8_53_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.chroma.2008.11.079"}],"container-title":["Journal of Separation Science"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2Fjssc.201500892","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2Fjssc.201500892","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/analyticalsciencejournals.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/jssc.201500892","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,19]],"date-time":"2025-10-19T14:38:37Z","timestamp":1760884717000},"score":1,"resource":{"primary":{"URL":"https:\/\/analyticalsciencejournals.onlinelibrary.wiley.com\/doi\/10.1002\/jssc.201500892"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2016,2,18]]},"references-count":52,"journal-issue":{"issue":"6","published-print":{"date-parts":[[2016,3]]}},"alternative-id":["10.1002\/jssc.201500892"],"URL":"https:\/\/doi.org\/10.1002\/jssc.201500892","archive":["Portico"],"relation":{},"ISSN":["1615-9306","1615-9314"],"issn-type":[{"type":"print","value":"1615-9306"},{"type":"electronic","value":"1615-9314"}],"subject":[],"published":{"date-parts":[[2016,2,18]]}}}