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dc.contributor.authorZhao, Ming
dc.contributor.authorShaikh, Saif
dc.contributor.authorKang, Renxi
dc.contributor.authorMarkiewicz-Keszycka, Maria
dc.date.accessioned2020-11-03T16:23:50Z
dc.date.available2020-11-03T16:23:50Z
dc.date.issued2020-07-22
dc.identifier.citationZhao, M.; Shaikh, S.; Kang, R.; Markiewicz-Keszycka, M. Investigation of Raman Spectroscopy (with Fiber Optic Probe) and Chemometric Data Analysis for the Determination of Mineral Content in Aqueous Infant Formula. Foods 2020, 9, 968. https://doi.org/10.3390/foods9080968en_US
dc.identifier.urihttp://hdl.handle.net/11019/2347
dc.descriptionpeer-revieweden_US
dc.description.abstractThis study investigated the use of Raman spectroscopy (RS) and chemometrics for the determination of eight mineral elements (i.e., Ca, Mg, K, Na, Cu, Mn, Fe, and Zn) in aqueous infant formula (INF). The samples were prepared using infant formula powder reconstituted to concentrations of 3%–13% w/w (powder: water) (n = 83). Raman spectral data acquisition was carried out using a non-contact fiber optic probe on the surface of aqueous samples in 50–3398 cm−1. ICP-AES was used as a reference method for the determination of the mineral contents in aqueous INF samples. Results showed that the best performing partial least squares regression (PLSR) models developed for the prediction of minerals using all samples for calibration achieved R2CV values of 0.51–0.95 with RMSECVs of 0.13–2.96 ppm. The PLSR models developed and validated using separate calibration (n = 42) and validation (n = 41) samples achieved R2CVs of 0.93, 0.94, 0.91, 0.90, 0.97, and 0.94, R2Ps of 0.75, 0.77, 0.31, 0.60, 0.84, and 0.80 with RMSEPs of 3.17, 0.29, 3.45, 1.51, 0.30, and 0.25 ppm for the prediction of Ca, Mg, K, Na, Fe, and Zn respectively. This study demonstrated that RS equipped with a non-contact fiber optic probe and combined with chemometrics has the potential for timely quantification of the mineral content of aqueous INF during manufacturing.en_US
dc.language.isoenen_US
dc.publisherMDPI AGen_US
dc.relation.ispartofseriesFoods;968
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.subjectRaman spectroscopyen_US
dc.subjectchemometricsen_US
dc.subjectinfant formulaen_US
dc.subjectmineralsen_US
dc.subjectICP-AES analysisen_US
dc.titleInvestigation of Raman Spectroscopy (with Fiber Optic Probe) and Chemometric Data Analysis for the Determination of Mineral Content in Aqueous Infant Formulaen_US
dc.typeArticleen_US
dc.identifier.doihttps://doi.org/10.3390/foods9080968
dc.source.volume9
dc.source.issue8
dc.source.beginpage968
refterms.dateFOA2020-11-03T16:23:51Z
dc.source.journaltitleFoods


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