{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,31]],"date-time":"2026-10-31T03:56:36Z","timestamp":1793418996152,"version":"4.5.0"},"reference-count":38,"publisher":"MDPI AG","issue":"5","license":[{"start":{"date-parts":[[2025,2,21]],"date-time":"2025-02-21T00:00:00Z","timestamp":1740096000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Coordena\u00e7\u00e3o de Aperfei\u00e7oamento de Pessoal de N\u00edvel Superior","award":["88887.848918\/2023-0"],"award-info":[{"award-number":["88887.848918\/2023-0"]}],"id":[{"id":"https:\/\/ror.org\/00x0ma614","id-type":"ROR","asserted-by":"crossref"}]},{"name":"Coordena\u00e7\u00e3o de Aperfei\u00e7oamento de Pessoal de N\u00edvel Superior","award":["88881.708195\/2022-01"],"award-info":[{"award-number":["88881.708195\/2022-01"]}],"id":[{"id":"https:\/\/ror.org\/00x0ma614","id-type":"ROR","asserted-by":"crossref"}]},{"name":"Coordena\u00e7\u00e3o de Aperfei\u00e7oamento de Pessoal de N\u00edvel Superior","award":["CNPq-405707\/2023-1"],"award-info":[{"award-number":["CNPq-405707\/2023-1"]}],"id":[{"id":"https:\/\/ror.org\/00x0ma614","id-type":"ROR","asserted-by":"crossref"}]},{"name":"Programa de Desenvolvimento da P\u00f3s-Gradua\u00e7\u00e3o (PDPG)\u2013Emergencial de Consolida\u00e7\u00e3o Estrat\u00e9gica dos Programas de P\u00f3s-Gradua\u00e7\u00e3o stricto sensu acad\u00eamicos","award":["88887.848918\/2023-0"],"award-info":[{"award-number":["88887.848918\/2023-0"]}]},{"name":"Programa de Desenvolvimento da P\u00f3s-Gradua\u00e7\u00e3o (PDPG)\u2013Emergencial de Consolida\u00e7\u00e3o Estrat\u00e9gica dos Programas de P\u00f3s-Gradua\u00e7\u00e3o stricto sensu acad\u00eamicos","award":["88881.708195\/2022-01"],"award-info":[{"award-number":["88881.708195\/2022-01"]}]},{"name":"Programa de Desenvolvimento da P\u00f3s-Gradua\u00e7\u00e3o (PDPG)\u2013Emergencial de Consolida\u00e7\u00e3o Estrat\u00e9gica dos Programas de P\u00f3s-Gradua\u00e7\u00e3o stricto sensu acad\u00eamicos","award":["CNPq-405707\/2023-1"],"award-info":[{"award-number":["CNPq-405707\/2023-1"]}]},{"DOI":"10.13039\/501100003593","name":"Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico","doi-asserted-by":"publisher","award":["88887.848918\/2023-0"],"award-info":[{"award-number":["88887.848918\/2023-0"]}],"id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003593","name":"Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico","doi-asserted-by":"publisher","award":["88881.708195\/2022-01"],"award-info":[{"award-number":["88881.708195\/2022-01"]}],"id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003593","name":"Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico","doi-asserted-by":"publisher","award":["CNPq-405707\/2023-1"],"award-info":[{"award-number":["CNPq-405707\/2023-1"]}],"id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Foods"],"abstract":"<jats:p>This work describes the development of a method for the extraction of methylxanthines from cocoa bean shell (CBS) by employing the novel Energized Dispersive Guided Extraction (EDGE) system. The mixtures were composed of ethanol\u2013methanol\u2013water and the ratio was optimized using a simplex-centroid design. Doehlert design (DD) was used to optimize the variables of temperature and time while using methylxanthine content obtained by HPLC-DAD as an analytical response. The optimized mixture consisted of water\u2013ethanol in a 3:2 ratio. The optimum operating conditions for extraction were achieved at a temperature of 148.5 \u00b0C and 382 s. Under optimal conditions, 20.14 mg g\u22121 DM of theobromine and 3.53 mg g\u22121 DM of caffeine were found in the CBS extract. Methylxanthines were quantified with good linearity, LOQs, LODs, precision, and accuracy. The EDGE system, a newly automated extraction instrument, has proven to be very efficient for the recovery of theobromine and caffeine, and is considered a green extraction procedure, as demonstrated by the analytical greenness metric for sample preparation.<\/jats:p>","DOI":"10.3390\/foods14050740","type":"journal-article","created":{"date-parts":[[2025,2,25]],"date-time":"2025-02-25T07:45:08Z","timestamp":1740469508000},"page":"740","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":10,"title":["Mixture Design and Doehlert Matrix for Optimization of Energized Dispersive Guided Extraction (EDGE) of Theobromine and Caffeine from Cocoa Bean Shells"],"prefix":"10.3390","volume":"14","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-6328-8433","authenticated-orcid":false,"given":"Luciana","family":"Lord\u00ealo Nascimento","sequence":"first","affiliation":[{"name":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Ci\u00eancia de Alimentos, Universidade Federal da Bahia, Salvador 40170-115, BA, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Paulo Natan","family":"Alves dos Santos","sequence":"additional","affiliation":[{"name":"Rede Nordeste de Biotecnologia, Universidade Federal de Sergipe, S\u00e3o Crist\u00f3v\u00e3o 49107-230, SE, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4005-1051","authenticated-orcid":false,"given":"Honnara Santos","family":"Granja","sequence":"additional","affiliation":[{"name":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Qu\u00edmica, Universidade Federal de Sergipe, S\u00e3o Crist\u00f3v\u00e3o 49107-230, SE, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Larissa","family":"da Silveira Ferreira","sequence":"additional","affiliation":[{"name":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Ci\u00eancia de Alimentos, Universidade Federal da Bahia, Salvador 40170-115, BA, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jo\u00e3o Victor","family":"Ferreira Lima","sequence":"additional","affiliation":[{"name":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Ci\u00eancia de Alimentos, Universidade Federal da Bahia, Salvador 40170-115, BA, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0004-3647-0597","authenticated-orcid":false,"given":"Bruna Louise","family":"de Moura Pita","sequence":"additional","affiliation":[{"name":"Departamento de An\u00e1lises Bromatol\u00f3gicas, Faculdade de Farm\u00e1cia, Universidade Federal da Bahia, Salvador 40170-115, BA, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Allan","family":"dos Santos Polidoro","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Pharmaceutical, and Agricultural Sciences, Universit\u00e0 degli Studi di Ferrara, 44121 Ferrara, Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6720-8338","authenticated-orcid":false,"given":"Lisiane","family":"dos Santos Freitas","sequence":"additional","affiliation":[{"name":"Rede Nordeste de Biotecnologia, Universidade Federal de Sergipe, S\u00e3o Crist\u00f3v\u00e3o 49107-230, SE, Brazil"},{"name":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Qu\u00edmica, Universidade Federal de Sergipe, S\u00e3o Crist\u00f3v\u00e3o 49107-230, SE, Brazil"},{"name":"Instituto Nacional de Ci\u00eancia e Tecnologia, Energia e Ambiente (INCT E&A), Salvador 40170-110, BA, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Elina Bastos","family":"Caram\u00e3o","sequence":"additional","affiliation":[{"name":"Rede Nordeste de Biotecnologia, Universidade Federal de Sergipe, S\u00e3o Crist\u00f3v\u00e3o 49107-230, SE, Brazil"},{"name":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Qu\u00edmica, Universidade Federal de Sergipe, 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