{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,9]],"date-time":"2026-01-09T13:23:22Z","timestamp":1767965002734,"version":"3.49.0"},"reference-count":23,"publisher":"Oxford University Press (OUP)","issue":"5","license":[{"start":{"date-parts":[[2021,4,30]],"date-time":"2021-04-30T00:00:00Z","timestamp":1619740800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Galician Competitive Research Group","award":["ED431C2018\/19"],"award-info":[{"award-number":["ED431C2018\/19"]}]},{"name":"Development of Strategic Grouping of Materials\u2014AeMAT","award":["ED431E2018\/08"],"award-info":[{"award-number":["ED431E2018\/08"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2021,5,17]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:p>Trace elements in dried blood spots (DBSs) from newborns were determined by laser ablation coupled with inductively coupled plasma mass spectrometry, and data were subjected to chemometric evaluation in an attempt to classify healthy newborns and newborns suffering from metabolic disorders. Unsupervised [principal component analysis (PCA) and cluster analysis (CA)] and supervised [linear discriminant analysis (LDA) and soft independent modeling by class analogy (SIMCA)] pattern recognition techniques were used as classification techniques. PCA and CA have shown a clear tendency to form two groups (healthy newborns and newborns suffering from metabolic disorders). LDA and SIMCA have predicted that 90.5% and 83.9% of originally grouped healthy newborn cases were correctly classified by LDA and SIMCA, respectively. In addition, these percentages were 97.6% (LDA) and 80.6% (SIMCA) for DBSs from newborns suffering from metabolic disorders. However, SIMCA has only detected one misclassified DBS from the healthy group, and the lower percentage is attributed to four DBSs from the healthy newborn group and five DBSs from newborns with disorders that were found as belonging to both categories (healthy newborns and newborns with disorders) in the training set. LDA also gave a percentage of grouped maple syrup urine disease (MSUD) cases correctly classified of 100%, although the percentage fells to 66.7% when classifying phenylketonuria (PKU) cases. Finally, essential elements such as Fe, K, Rb, and Zn were found to be matched (correlated) with the concentration of amino acids such as phenylalanine, valine, and leucine, biomarkers linked with MSUD and PKU diseases.<\/jats:p>","DOI":"10.1093\/mtomcs\/mfab018","type":"journal-article","created":{"date-parts":[[2021,4,28]],"date-time":"2021-04-28T13:24:42Z","timestamp":1619616282000},"source":"Crossref","is-referenced-by-count":5,"title":["Trace elements in dried blood spots as potential discriminating features for metabolic disorder diagnosis in newborns"],"prefix":"10.1093","volume":"13","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-6101-1879","authenticated-orcid":false,"given":"Jorge","family":"Moreda-Pi\u00f1eiro","sequence":"first","affiliation":[{"name":"Department \u00a0of Chemistry, Faculty of Sciences, Universidade da Coru\u00f1a, Grupo Qu\u00edmica Anal\u00edtica Aplicada (QANAP), University Institute of Research in Environmental Studies (IUMA), Centro de Investigaciones Cient\u00edficas Avanzadas (CICA), Campus de A Coru\u00f1a, s\/n, 15071 A Coru\u00f1a, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jos\u00e9 A","family":"Cocho","sequence":"additional","affiliation":[{"name":"Unit of Diagnosis and Treatment of Congenital Metabolic Diseases, Department of Pediatrics, University Hospital of Santiago de Compostela, IDIS, CIBERER, A Choupana, s\/n, 15706 Santiago de Compostela, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4861-9905","authenticated-orcid":false,"given":"Mar\u00eda Luz","family":"Couce","sequence":"additional","affiliation":[{"name":"Unit of Diagnosis and Treatment of Congenital Metabolic Diseases, Department of Pediatrics, University Hospital of Santiago de Compostela, IDIS, CIBERER, A Choupana, s\/n, 15706 Santiago de Compostela, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3512-6434","authenticated-orcid":false,"given":"Antonio","family":"Moreda-Pi\u00f1eiro","sequence":"additional","affiliation":[{"name":"Group of Trace Elements, Speciation and Spectroscopy (GETEE), Strategic Grouping in Materials (AEMAT), Department of Analytical Chemistry, Nutrition and Bromatology, Faculty of Chemistry, Universidade de Santiago de Compostela, Avenida das Ciencias, s\/n, 15782 Santiago de Compostela, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5864-6144","authenticated-orcid":false,"given":"Pilar","family":"Bermejo-Barrera","sequence":"additional","affiliation":[{"name":"Group of Trace Elements, Speciation and Spectroscopy (GETEE), Strategic Grouping in Materials (AEMAT), Department of Analytical Chemistry, Nutrition and Bromatology, Faculty of Chemistry, Universidade de Santiago de Compostela, Avenida das Ciencias, s\/n, 15782 Santiago de Compostela, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"286","published-online":{"date-parts":[[2021,4,30]]},"reference":[{"issue":"6","key":"2022011305264831500_bib1","doi-asserted-by":"crossref","first-page":"1033","DOI":"10.1373\/clinchem.2012.183038","article-title":"Newborn screening for spinal muscular atrophy by calibrated short-amplicon melt profiling","volume":"58","author":"Dobrowolski","year":"2012","journal-title":"Clin. 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