{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,30]],"date-time":"2026-01-30T10:41:13Z","timestamp":1769769673729,"version":"3.49.0"},"reference-count":50,"publisher":"Oxford University Press (OUP)","issue":"4","license":[{"start":{"date-parts":[[2012,2,1]],"date-time":"2012-02-01T00:00:00Z","timestamp":1328054400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/academic.oup.com\/pages\/standard-publication-reuse-rights"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2012,2,1]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>We report on the first untargeted UPLC-MS study of 2nd trimester maternal urine and amniotic fluid (AF), to investigate the possible metabolic effects of fetal malformations (FM), gestational diabetes mellitus (GDM) and preterm delivery (PTD). For fetal malformations, considerable metabolite variations were identified in AF and, to a lesser extent, in urine. Using validated PLS-DA models and statistical correlations between UPLC-MS data and previously acquired NMR data, a metabolic picture of fetal hypoxia, enhanced gluconeogenesis, TCA activity and hindered kidney development affecting FM pregnancies was reinforced. Moreover, changes in carnitine, pyroglutamate and polyols were newly noted, respectively, reflecting lipid oxidation, altered placental amino acid transfer and alterations in polyol pathways. Higher excretion of conjugated products in maternal urine was seen suggesting alterations in conjugation reactions. For the pre-diagnostic GDM group, no significant changes were observed, either considering amniotic fluid or maternal urine, whereas, for the pre-PTD group, some newly observed changes were noted, namely, the decrease of particular amino acids and the increase of an hexose (possibly glucose), suggesting alteration in placental amino acid fluxes and a possible tendency for hyperglycemia. This work shows the potential of UPLC-MS for the study of fetal and maternal biofluids, particularly when used in tandem with comparable NMR data. The important roles played by sampling characteristics (e.g. group dimensions) and the specific experimental conditions chosen for MS methods are discussed.<\/jats:p>\n                  <jats:p\/>","DOI":"10.1039\/c2mb05424h","type":"journal-article","created":{"date-parts":[[2012,2,1]],"date-time":"2012-02-01T05:06:18Z","timestamp":1328072778000},"page":"1243-1254","source":"Crossref","is-referenced-by-count":86,"title":["UPLC-MS metabolic profiling of second trimester amniotic fluid and maternal urine and comparison with NMR spectral profiling for the identification of pregnancy disorder biomarkers"],"prefix":"10.1093","volume":"8","author":[{"given":"Gon\u00e7alo","family":"Gra\u00e7a","sequence":"first","affiliation":[{"name":"CICECO-Department of Chemistry, Campus Universit\u00e1rio de Santiago, University of Aveiro a , 3810-193 Aveiro, Portugal \u00a0 agil@ua.pt \u00a0 +351 234 370084 \u00a0 +351 234 370707"}]},{"given":"Brian J","family":"Goodfellow","sequence":"additional","affiliation":[{"name":"CICECO-Department of Chemistry, Campus Universit\u00e1rio de Santiago, University of Aveiro a , 3810-193 Aveiro, Portugal \u00a0 agil@ua.pt \u00a0 +351 234 370084 \u00a0 +351 234 370707"}]},{"given":"Ant\u00f3nio S","family":"Barros","sequence":"additional","affiliation":[{"name":"QOPNA-Department of Chemistry, Campus Universit\u00e1rio de Santiago, University of Aveiro b , 3810-193 Aveiro, Portugal"}]},{"given":"S\u00edlvia","family":"Diaz","sequence":"additional","affiliation":[{"name":"CICECO-Department of Chemistry, Campus Universit\u00e1rio de Santiago, University of Aveiro a , 3810-193 Aveiro, Portugal \u00a0 agil@ua.pt \u00a0 +351 234 370084 \u00a0 +351 234 370707"}]},{"given":"Iola F","family":"Duarte","sequence":"additional","affiliation":[{"name":"CICECO-Department of Chemistry, Campus Universit\u00e1rio de Santiago, University of Aveiro a , 3810-193 Aveiro, Portugal \u00a0 agil@ua.pt \u00a0 +351 234 370084 \u00a0 +351 234 370707"}]},{"given":"Konstantina","family":"Spagou","sequence":"additional","affiliation":[{"name":"Laboratory of Forensic Medicine and Toxicology, Faculty of Medicine, Aristotle University of Thessaloniki d , 54124, Greece"},{"name":"Biomolecular Medicine, Department of Surgery and Cancer, Faculty of Medicine, Imperial College London c , SW7 2AZ, UK"}]},{"given":"Kirill","family":"Veselkov","sequence":"additional","affiliation":[{"name":"Biomolecular Medicine, Department of Surgery and Cancer, Faculty of Medicine, Imperial College London c , SW7 2AZ, UK"}]},{"given":"Elizabeth J","family":"Want","sequence":"additional","affiliation":[{"name":"Biomolecular Medicine, Department of Surgery and Cancer, Faculty of Medicine, Imperial College London c , SW7 2AZ, UK"}]},{"given":"John C","family":"Lindon","sequence":"additional","affiliation":[{"name":"Biomolecular Medicine, Department of Surgery and Cancer, Faculty of Medicine, Imperial College London c , SW7 2AZ, UK"}]},{"given":"Isabel M","family":"Carreira","sequence":"additional","affiliation":[{"name":"CIMAGO - Centro de Investiga\u00e7\u00e3o Meio Ambiente, Gen\u00e9tica e Oncobiologia f , Portugal"},{"name":"Cytogenetics and Genomics Laboratory, Faculty of Medicine, University of Coimbra, Portugal and CENCIFOR - Forensic Science Centre e , Portugal"}]},{"given":"Eul\u00e1lia","family":"Galhano","sequence":"additional","affiliation":[{"name":"Maternity Bissaya Barreto, Centro Hospitalar de Coimbra g , 3000-061 Coimbra, Portugal"}]},{"given":"Cristina","family":"Pita","sequence":"additional","affiliation":[{"name":"Maternity Bissaya Barreto, Centro Hospitalar de Coimbra g , 3000-061 Coimbra, Portugal"}]},{"given":"Ana M","family":"Gil","sequence":"additional","affiliation":[{"name":"CICECO-Department of Chemistry, Campus Universit\u00e1rio de Santiago, University of Aveiro a , 3810-193 Aveiro, Portugal \u00a0 agil@ua.pt \u00a0 +351 234 370084 \u00a0 +351 234 370707"}]}],"member":"286","published-online":{"date-parts":[[2012,2,1]]},"reference":[{"key":"2026012913045405000_cit1","doi-asserted-by":"crossref","first-page":"1181","DOI":"10.1080\/004982599238047","volume":"29","author":"Nicholson","year":"1999","journal-title":"Xenobiotica"},{"key":"2026012913045405000_cit2","doi-asserted-by":"crossref","first-page":"839","DOI":"10.1080\/00498250500297940","volume":"35","author":"Azmi","year":"2005","journal-title":"Xenobiotica"},{"key":"2026012913045405000_cit3","doi-asserted-by":"crossref","first-page":"1075","DOI":"10.1007\/s11095-006-0025-z","volume":"23","author":"Lindon","year":"2006","journal-title":"Pharm. 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