Pathlength effects on NIR Transflectance performance for polar and apolar liquid food analysis

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dc.authorid0000-0001-8686-2768
dc.contributor.authorAyvaz, Huseyin
dc.contributor.authorBoyaci, Ismail Hakki
dc.contributor.authorOgutcu, Mustafa
dc.date.accessioned2026-02-03T12:02:33Z
dc.date.available2026-02-03T12:02:33Z
dc.date.issued2026
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractNear-infrared (NIR) transflectance spectroscopy is widely used across various applications, including food analysis, yet the effect of accessory pathlength on spectral quality and subsequent chemometric performance has not been systematically assessed. This study evaluates how pathlengths (1, 2, 4, and 6 mm) influence spectral characteristics and partial least squares regression (PLSR) accuracy in two contrasting liquid food systems: an apolar matrix-tree-picked olive oil (TPOO) adulterated with ground-picked olive oil (GPOO)-and a polar matrix-vodka spiked with methanol. Spectra were acquired using both a benchtop FT-NIR spectrometer (10,000-4000 cm-1) and a handheld NIR device (7407-3921 cm-1). In the apolar oil system, longer pathlengths (4-6 mm) enhanced C-H overtone bands, with the 6 mm pathlength delivering the highest prediction accuracy among those evaluated (1-6 mm) for %GPOO (SEP = 0.56 %, r = 1.000, RPD = 52.6). In the polar methanol-vodka system, strong O-H absorption caused early saturation, making the 1 mm pathlength optimal within the tested pathlength range of 1-6 mm; removing the 5300-5000 cm-1 region improved model accuracy (SEP = 0.036 %, r = 0.999, RPD = 47.2). While handheld NIR measurements followed the same pathlength trends, their predictive performance was lower due to narrower spectral range, lower resolution, and reduced signal-to-noise ratio. These findings offer practical guidance within the tested interval: in lipid-rich, apolar matrices, intermediate-to-long pathlengths (4-6 mm) maximize informative signal capture, whereas in water-rich, polar matrices, short pathlengths (1 mm) prevent spectral saturation and preserve detail, ensuring robust chemometric models.
dc.identifier.doi10.1016/j.saa.2025.127225
dc.identifier.issn1386-1425
dc.identifier.issn1873-3557
dc.identifier.pmid41273857
dc.identifier.scopus2-s2.0-105022846448
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.saa.2025.127225
dc.identifier.urihttps://hdl.handle.net/20.500.12428/34796
dc.identifier.volume348
dc.identifier.wosWOS:001627580000001
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.language.isoen
dc.publisherPergamon-Elsevier Science Ltd
dc.relation.ispartofSpectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20260130
dc.subjectNIR spectroscopy
dc.subjectTransflectance
dc.subjectPathlength
dc.subjectOptimization
dc.subjectChemometrics
dc.titlePathlength effects on NIR Transflectance performance for polar and apolar liquid food analysis
dc.typeArticle

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