{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,19]],"date-time":"2026-09-19T09:09:06Z","timestamp":1789808946281,"version":"4.0.1"},"reference-count":44,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2026,11,1]],"date-time":"2026-11-01T00:00:00Z","timestamp":1793491200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2026,11,1]],"date-time":"2026-11-01T00:00:00Z","timestamp":1793491200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2026,8,6]],"date-time":"2026-08-06T00:00:00Z","timestamp":1785974400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100003130","name":"Research Foundation Flanders","doi-asserted-by":"publisher","award":["3G012721"],"award-info":[{"award-number":["3G012721"]}],"id":[{"id":"10.13039\/501100003130","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000780","name":"European Commission","doi-asserted-by":"publisher","award":["ERC project MeMoSa"],"award-info":[{"award-number":["ERC project MeMoSa"]}],"id":[{"id":"10.13039\/501100000780","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000781","name":"European Research Council","doi-asserted-by":"publisher","award":["2023-CoG 101124151"],"award-info":[{"award-number":["2023-CoG 101124151"]}],"id":[{"id":"10.13039\/501100000781","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Analytica Chimica Acta"],"published-print":{"date-parts":[[2026,11]]},"DOI":"10.1016\/j.aca.2026.346087","type":"journal-article","created":{"date-parts":[[2026,8,6]],"date-time":"2026-08-06T23:30:15Z","timestamp":1786059015000},"page":"346087","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":0,"special_numbering":"C","title":["Design of experiments-driven optimization of dual ultra-high-performance liquid chromatography high resolution mass spectrometry for integrated fecal metabolomics and lipidomics"],"prefix":"10.1016","volume":"1422","author":[{"given":"Tiffany","family":"De Troyer","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9589-5112","authenticated-orcid":false,"given":"Kimberly","family":"De Windt","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Beata","family":"Pomian","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ellen","family":"De Paepe","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6109-7032","authenticated-orcid":false,"given":"Vera","family":"Plekhova","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0002-9539-5019","authenticated-orcid":false,"given":"Lynn","family":"Vanhaecke","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.aca.2026.346087_bib1","doi-asserted-by":"crossref","first-page":"105","DOI":"10.1016\/j.ccc.2019.08.008","article-title":"Metabolomics and the microbiome as biomarkers in sepsis","volume":"36","author":"Lee","year":"2020","journal-title":"Crit. Care Clin."},{"key":"10.1016\/j.aca.2026.346087_bib2","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1021\/acs.analchem.5b02688","article-title":"Validated high resolution mass spectrometry-based approach for metabolomic fingerprinting of the human gut phenotype","volume":"87","author":"Vanden Bussche","year":"2015","journal-title":"Anal. Chem."},{"key":"10.1016\/j.aca.2026.346087_bib3","unstructured":"A. Abdullah, N. Haron, E. Mohamed, M. Izwan Mohamad Yusof, M. Razif Shahril, Metabolites Alterations Associated with Obesity: a Scoping Review, (n.d.)."},{"key":"10.1016\/j.aca.2026.346087_bib4","doi-asserted-by":"crossref","first-page":"12502","DOI":"10.1021\/acs.analchem.7b03606","article-title":"Holistic lipidomics of the human gut phenotype using validated ultra-high-performance liquid chromatography coupled to hybrid orbitrap mass spectrometry","volume":"89","author":"Van Meulebroek","year":"2017","journal-title":"Anal. Chem."},{"key":"10.1016\/j.aca.2026.346087_bib5","doi-asserted-by":"crossref","first-page":"108","DOI":"10.1016\/j.aca.2018.06.065","article-title":"A validated multi-matrix platform for metabolomic fingerprinting of human urine, feces and plasma using ultra-high performance liquid-chromatography coupled to hybrid orbitrap high-resolution mass spectrometry","volume":"1033","author":"De Paepe","year":"2018","journal-title":"Anal. Chim. Acta"},{"key":"10.1016\/j.aca.2026.346087_bib6","doi-asserted-by":"crossref","DOI":"10.1126\/sciadv.ade9933","article-title":"Point-of-care applicable metabotyping using biofluidspecific electrospun MetaSAMPs directly amenable to ambient LA-REIMS","volume":"9","author":"De Spiegeleer","year":"2023","journal-title":"Sci. Adv."},{"key":"10.1016\/j.aca.2026.346087_bib7","doi-asserted-by":"crossref","first-page":"2297","DOI":"10.4155\/bio-2019-0014","article-title":"Analytical techniques for metabolomic studies: a review","volume":"11","author":"K","year":"2019","journal-title":"Bioanalysis"},{"key":"10.1016\/j.aca.2026.346087_bib8","doi-asserted-by":"crossref","DOI":"10.1016\/j.trac.2018.11.001","article-title":"Multidimensional liquid chromatography-mass spectrometry for metabolomic and lipidomic analyses","volume":"120","author":"Lv","year":"2019","journal-title":"TrAC, Trends Anal. Chem."},{"key":"10.1016\/j.aca.2026.346087_bib9","doi-asserted-by":"crossref","first-page":"34","DOI":"10.1016\/j.aca.2017.03.004","article-title":"Simultaneous metabolomics and lipidomics analysis based on novel heart-cutting two-dimensional liquid chromatography-mass spectrometry","volume":"966","author":"Wang","year":"2017","journal-title":"Anal. Chim. Acta"},{"key":"10.1016\/j.aca.2026.346087_bib10","doi-asserted-by":"crossref","first-page":"8461","DOI":"10.1021\/acs.analchem.2c05371","article-title":"Dual UHPLC-HRMS metabolomics and lipidomics and automated data processing workflow for comprehensive high-throughput gut phenotyping, cite this","volume":"95","author":"Vangeenderhuysen","year":"2023","journal-title":"Anal. Chem."},{"key":"10.1016\/j.aca.2026.346087_bib11","doi-asserted-by":"crossref","unstructured":"J. Villaret-Cazadamont, N. Poupin, A. Tournadre, A. Batut, L. Gales, D. Zalko, N.J. Cabaton, F. Bellvert, J. Bertrand-Michel, Metabolites an optimized dual extraction method for the simultaneous and accurate analysis of polar metabolites and lipids carried out on single biological samples, (n.d.). https:\/\/doi.org\/10.3390\/metabo10090338.","DOI":"10.3390\/metabo10090338"},{"key":"10.1016\/j.aca.2026.346087_bib12","unstructured":"Lipidomics and metabolomics: simultaneous analysis - 2019 - Wiley Anal. Sci., (n.d.). https:\/\/analyticalscience.wiley.com\/content\/article-do\/lipidomics-and-metabolomics-simultaneous-analysis (accessed July 3, 2026)."},{"key":"10.1016\/j.aca.2026.346087_bib13","doi-asserted-by":"crossref","first-page":"220","DOI":"10.1039\/C8AN01219A","article-title":"Merging metabolomics and lipidomics into one analytical run","volume":"144","author":"Schwaiger","year":"2018","journal-title":"Analyst"},{"key":"10.1016\/j.aca.2026.346087_bib14","doi-asserted-by":"crossref","first-page":"52","DOI":"10.1021\/acs.analchem.0c00372","article-title":"Pseudotargeted method based on parallel column two-dimensional liquid chromatography-mass spectrometry for broad coverage of metabolome and lipidome","volume":"92","author":"Lv","year":"2020","journal-title":"Anal. Chem."},{"key":"10.1016\/j.aca.2026.346087_bib15","first-page":"4313","article-title":"Evaluation of One Factor at A Time (OFAT) technique in viscosity modeling of polymer solution","volume":"12","author":"Akbari","year":"2017","journal-title":"J. Eng. Appl. Sci."},{"key":"10.1016\/j.aca.2026.346087_bib16","doi-asserted-by":"crossref","first-page":"11","DOI":"10.1556\/1326.2020.00708","article-title":"OFAT versus DOE as two optimization protocols for the chromatographic analysis of some OTC pharmaceuticals carrying negative cardiovascular effects and administered by pregnant and breast-feeding females: application to dose dependent effect","volume":"33","author":"Sherbiny","year":"2021","journal-title":"Acta Chromatogr."},{"key":"10.1016\/j.aca.2026.346087_bib17","doi-asserted-by":"crossref","first-page":"D622","DOI":"10.1093\/nar\/gkab1062","article-title":"Hmdb 5.0: the human metabolome database for 2022","volume":"50","author":"Wishart","year":"2022","journal-title":"Nucleic Acids Res."},{"key":"10.1016\/j.aca.2026.346087_bib18","unstructured":"LIPID MAPS, (n.d.). https:\/\/www.lipidmaps.org\/databases\/lmsd\/overview (accessed October 28, 2025)."},{"key":"10.1016\/j.aca.2026.346087_bib19","doi-asserted-by":"crossref","first-page":"284","DOI":"10.1111\/j.2047-6310.2012.00064.x","article-title":"Extended international (IOTF) body mass index cut-offs for thinness, overweight and obesity","volume":"7","author":"Cole","year":"2012","journal-title":"Pediatr. Obes."},{"key":"10.1016\/j.aca.2026.346087_bib20","doi-asserted-by":"crossref","first-page":"79","DOI":"10.1016\/j.aca.2020.02.046","article-title":"Impact of storage conditions on the human stool metabolome and lipidome: preserving the most accurate fingerprint","volume":"1108","author":"De Spiegeleer","year":"2020","journal-title":"Anal. Chim. Acta"},{"key":"10.1016\/j.aca.2026.346087_bib21","unstructured":"Implementing Regulation - 2021\/808 - EN - EUR-Lex, (n.d.). https:\/\/eur-lex.europa.eu\/eli\/reg_impl\/2021\/808\/oj\/eng (accessed July 10, 2026)."},{"key":"10.1016\/j.aca.2026.346087_bib22","doi-asserted-by":"crossref","DOI":"10.1016\/j.aca.2025.344995","article-title":"Development, validation, and application of an innovative UHPLC-Orbitrap-HRMS method for multi-class analysis of endocrine disruptors in bottled water: influence of bottle material, water source, and retail price","volume":"1385","author":"Goessens","year":"2026","journal-title":"Anal. Chim. Acta"},{"key":"10.1016\/j.aca.2026.346087_bib23","doi-asserted-by":"crossref","first-page":"141","DOI":"10.1016\/j.aca.2018.10.045","article-title":"Targeted quantification and untargeted screening of alkylphenols, bisphenol A and phthalates in aquatic matrices using ultra-high-performance liquid chromatography coupled to hybrid Q-Orbitrap mass spectrometry","volume":"1049","author":"Huysman","year":"2019","journal-title":"Anal. Chim. Acta"},{"key":"10.1016\/j.aca.2026.346087_bib24","doi-asserted-by":"crossref","first-page":"9927","DOI":"10.1021\/acs.analchem.5c00567","article-title":"Automated integration and quality assessment of chromatographic peaks in LC\u2013MS-Based metabolomics and lipidomics using TARDIS","volume":"97","author":"Vangeenderhuysen","year":"2025","journal-title":"Anal. Chem."},{"key":"10.1016\/j.aca.2026.346087_bib25","doi-asserted-by":"crossref","first-page":"289","DOI":"10.1111\/j.2517-6161.1995.tb02031.x","article-title":"Controlling the false discovery rate: a practical and powerful approach to multiple testing","volume":"57","author":"Benjamini","year":"1995","journal-title":"J. R. Stat. Soc. Series B Stat. Methodol."},{"key":"10.1016\/j.aca.2026.346087_bib26","unstructured":"Power for ANOVA, (n.d.). https:\/\/www.jmp.com\/support\/help\/en\/16.2\/#page\/jmp\/power-for-anova.shtml (accessed December 10, 2025)."},{"key":"10.1016\/j.aca.2026.346087_bib27","doi-asserted-by":"crossref","first-page":"18015","DOI":"10.1002\/chem.202102474","article-title":"Temperature-controlled electrospray ionization: recent progress and applications","volume":"27","author":"Alexander Harrison","year":"2021","journal-title":"Chem. Eur J."},{"key":"10.1016\/j.aca.2026.346087_bib28","doi-asserted-by":"crossref","DOI":"10.1016\/j.jchromb.2025.124564","article-title":"Evaluation of ion source parameters and liquid chromatography methods for plasma untargeted metabolomics using orbitrap mass spectrometer","volume":"1257","author":"Assress","year":"2025","journal-title":"J. Chromatogr. B"},{"key":"10.1016\/j.aca.2026.346087_bib29","doi-asserted-by":"crossref","DOI":"10.1016\/j.enbuild.2021.111298","article-title":"Designing the design of experiments (DOE) \u2013 an investigation on the influence of different factorial designs on the characterization of complex systems","volume":"250","author":"Jankovic","year":"2021","journal-title":"Energy Build."},{"key":"10.1016\/j.aca.2026.346087_bib30","unstructured":"Definitive screening designs | statistics knowledge portal | JMP, (n.d.). https:\/\/www.jmp.com\/en\/statistics-knowledge-portal\/design-of-experiments\/screening-designs\/definitive-screening-designs (accessed December 9, 2025)."},{"key":"10.1016\/j.aca.2026.346087_bib31","author":"Assress"},{"key":"10.1016\/j.aca.2026.346087_bib32","doi-asserted-by":"crossref","first-page":"1136","DOI":"10.1021\/jasms.3c00077","article-title":"Quantitative LC-MS\/MS. 1. Impact of points across a peak on the accuracy and precision of peak area measurements","volume":"34","author":"Zeng","year":"2023","journal-title":"J. Am. Soc. Mass Spectrom."},{"key":"10.1016\/j.aca.2026.346087_bib33","first-page":"248","article-title":"Column overload in PLOT columns","volume":"40","author":"Oden","year":"2022","journal-title":"LC-GC N. Am."},{"key":"10.1016\/j.aca.2026.346087_bib34","unstructured":"Vanquish duo UHPLC systems - BE, (n.d.). https:\/\/www.thermofisher.com\/uk\/en\/home\/industrial\/chromatography\/liquid-chromatography-lc\/hplc-uhplc-systems\/vanquish-duo-uhplc-dual-lc-system.html (accessed November 4, 2025)."},{"key":"10.1016\/j.aca.2026.346087_bib35","doi-asserted-by":"crossref","first-page":"333","DOI":"10.1016\/S1044-0305(97)00287-0","article-title":"Application of micro-electrospray liquid chromatography techniques to FT-ICR MS to enable high-sensitivity biological analysis","volume":"9","author":"Emmett","year":"1998","journal-title":"J. Am. Soc. Mass Spectrom."},{"key":"10.1016\/j.aca.2026.346087_bib37","unstructured":"Full Scan Pane \u2022 Orbitrap Exploris 120 Software Manual \u2022 Technical Documentation, (n.d.). https:\/\/docs.thermofisher.com\/r\/Orbitrap-Exploris-120-Software-Manual\/2094400395v2en-US (accessed June 25, 2026)."},{"key":"10.1016\/j.aca.2026.346087_bib38","unstructured":"Orbitrap Exploris 120 \u2022 Orbitrap Exploris 120 Software Manual \u2022 Technical Documentation, (n.d.). https:\/\/docs.thermofisher.com\/r\/Orbitrap-Exploris-120-Software-Manual\/2074964235v1en-US2074970379 (accessed January 23, 2026)."},{"key":"10.1016\/j.aca.2026.346087_bib39","first-page":"970","article-title":"Charge capacity limitations of radio frequency ion guides in their use for improved ion accumulation and trapping in mass spectrometry","volume":"67","author":"Wilhelm","year":"1995","journal-title":"Rapid Commun. Mass Spectrom."},{"key":"10.1016\/j.aca.2026.346087_bib40","author":"Song"},{"key":"10.1016\/j.aca.2026.346087_bib41","series-title":"Orbitrap Tribrid Series Getting Started Guide 80000-97026 Revision A","author":"Technical Publications","year":"2018"},{"key":"10.1016\/j.aca.2026.346087_bib42","doi-asserted-by":"crossref","first-page":"1582","DOI":"10.1016\/j.jasms.2007.05.018","article-title":"Ionization and transmission efficiency in an electrospray ionization\u2013mass spectrometry interface","volume":"18","author":"Page","year":"2007","journal-title":"J. Am. Soc. Mass Spectrom."},{"key":"10.1016\/j.aca.2026.346087_bib43","unstructured":"ACQUITY UPLC HSS C18 column, 100\u00c5, 1.8 \u03bcm, 2.1 mm X 75 mm, 1\/pk - 186005615 | waters, (n.d.). https:\/\/www.waters.com\/nextgen\/us\/en\/shop\/columns\/186005615-acquity-uplc-hss-c18-column-100a-18--m-21-mm-x-75-mm-1-pk.html#accordion-ed7210580f-item-11b09205bc (accessed November 21, 2025)."},{"key":"10.1016\/j.aca.2026.346087_bib44","unstructured":"Productivity Redefined Orbitrap Exploris 120 Mass Spectrometer, (n.d.)."},{"key":"10.1016\/j.aca.2026.346087_bib45","unstructured":"The next-generation Orbitrap Exploris 120 Mass Spectrometer, (n.d.)."}],"container-title":["Analytica Chimica Acta"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0003267026010378?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0003267026010378?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,9,19]],"date-time":"2026-09-19T08:20:30Z","timestamp":1789806030000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0003267026010378"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,11]]},"references-count":44,"alternative-id":["S0003267026010378"],"URL":"https:\/\/doi.org\/10.1016\/j.aca.2026.346087","relation":{},"ISSN":["0003-2670"],"issn-type":[{"value":"0003-2670","type":"print"}],"subject":[],"published":{"date-parts":[[2026,11]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Design of experiments-driven optimization of dual ultra-high-performance liquid chromatography high resolution mass spectrometry for integrated fecal metabolomics and lipidomics","name":"articletitle","label":"Article Title"},{"value":"Analytica Chimica Acta","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.aca.2026.346087","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2026 The Authors. Published by Elsevier B.V.","name":"copyright","label":"Copyright"}],"article-number":"346087"}}