RT Journal Article T1 Trace elements in dried blood spots as potential discriminating features for metabolic disorder diagnosis in newborns A1 Moreda Piñeiro, Jorge A1 Cocho de Juan, José Ángel A1 Couce Pico, María Luz A1 Moreda Piñeiro, Antonio A1 Bermejo Barrera, Pilar K1 Classification K1 Metabolic disorders K1 Dried blood spot K1 Newborns K1 Multi-element determinations K1 Pattern recognition techniques AB 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 PB Ofxord University Press SN 1756-5901 YR 2021 FD 2021 LK http://hdl.handle.net/10347/28884 UL http://hdl.handle.net/10347/28884 LA eng NO Jorge Moreda-Piñeiro, José A Cocho, María Luz Couce, Antonio Moreda-Piñeiro, Pilar Bermejo-Barrera, Trace elements in dried blood spots as potential discriminating features for metabolic disorder diagnosis in newborns, Metallomics, Volume 13, Issue 5, May 2021, mfab018, https://doi.org/10.1093/mtomcs/mfab018 NO The authors wish to thank the Dirección Xeral de I+D—Xunta de Galicia (Galician Competitive Research Group ED431C2018/19), and the Development of Strategic Grouping of Materials—AeMAT (grant ED431E2018/08) for financial support DS Minerva RD 4 may 2026