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Non-targeted detection of milk powder adulteration using Raman spectroscopy and chemometrics: melamine case study.
Food Addit Contam Part A Chem Anal Control Expo Risk Assess. 2017 Feb; 34(2):170-182.FA

Abstract

Raman spectroscopy in combination with chemometrics was explored as a rapid, non-targeted screening method for the detection of milk powder (MP) adulteration using melamine as an example contaminant. Raman spectroscopy and an unsupervised pattern-recognition method, principal component analysis (PCA), allowed for the differentiation of authentic MPs from adulterated ones at concentrations > 1.0% for dry-blended (DB) samples and > 0.30% for wet-blended (WB) ones. Soft independent modelling of class analogy (SIMCA), a supervised pattern-recognition method, was also used to classify test samples as adulterated or authentic. Combined statistics at a 97% confidence level from the SIMCA models correctly classified adulteration of MP with melamine at concentrations ≥ 0.5% for DB samples and ≥ 0.30% for WB ones, while no false-positives from authentic MPs were found when the spectra in the 600-700 cm-1 range were pre-processed using standard normal variate (SNV) followed by a gap-segment derivatisation. The combined technique of Raman spectroscopy and chemometrics proved to be a useful tool for the rapid and cost-efficient non-targeted detection of adulteration in MP at per cent spiking levels.

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Publisher Full Text (DOI)

Authors+Show Affiliations

Karunathilaka SR
a US Food and Drug Administration (USFDA), Center for Food Safety and Applied Nutrition , Office of Regulatory Science , College Park , MD , USA.
Farris S
a US Food and Drug Administration (USFDA), Center for Food Safety and Applied Nutrition , Office of Regulatory Science , College Park , MD , USA.
Mossoba MM
a US Food and Drug Administration (USFDA), Center for Food Safety and Applied Nutrition , Office of Regulatory Science , College Park , MD , USA.
Moore JC
b US Pharmacopeial Convention , Rockville , MD , USA.
Yakes BJ
a US Food and Drug Administration (USFDA), Center for Food Safety and Applied Nutrition , Office of Regulatory Science , College Park , MD , USA.

MeSH

AnimalsFood ContaminationMilkPowdersPrincipal Component AnalysisSoftwareSpectrum Analysis, RamanTriazines

Pub Type(s)

Journal Article

Language

eng

PubMed ID

27841972

Citation

Karunathilaka, Sanjeewa R., et al. "Non-targeted Detection of Milk Powder Adulteration Using Raman Spectroscopy and Chemometrics: Melamine Case Study." Food Additives & Contaminants. Part A, Chemistry, Analysis, Control, Exposure & Risk Assessment, vol. 34, no. 2, 2017, pp. 170-182.
Karunathilaka SR, Farris S, Mossoba MM, et al. Non-targeted detection of milk powder adulteration using Raman spectroscopy and chemometrics: melamine case study. Food Addit Contam Part A Chem Anal Control Expo Risk Assess. 2017;34(2):170-182.
Karunathilaka, S. R., Farris, S., Mossoba, M. M., Moore, J. C., & Yakes, B. J. (2017). Non-targeted detection of milk powder adulteration using Raman spectroscopy and chemometrics: melamine case study. Food Additives & Contaminants. Part A, Chemistry, Analysis, Control, Exposure & Risk Assessment, 34(2), 170-182. https://doi.org/10.1080/19440049.2016.1260168
Karunathilaka SR, et al. Non-targeted Detection of Milk Powder Adulteration Using Raman Spectroscopy and Chemometrics: Melamine Case Study. Food Addit Contam Part A Chem Anal Control Expo Risk Assess. 2017;34(2):170-182. PubMed PMID: 27841972.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Non-targeted detection of milk powder adulteration using Raman spectroscopy and chemometrics: melamine case study. AU - Karunathilaka,Sanjeewa R, AU - Farris,Samantha, AU - Mossoba,Magdi M, AU - Moore,Jeffrey C, AU - Yakes,Betsy Jean, Y1 - 2016/12/09/ PY - 2016/11/15/pubmed PY - 2017/3/14/medline PY - 2016/11/15/entrez KW - PCA KW - Raman spectroscopy KW - Skim milk powder (SMP) KW - classification KW - economic adulteration KW - non-fat dry milk powder (NFDM) KW - non-targeted detection KW - soft independent modelling of class analogy (SIMCA) SP - 170 EP - 182 JF - Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment JO - Food Addit Contam Part A Chem Anal Control Expo Risk Assess VL - 34 IS - 2 N2 - Raman spectroscopy in combination with chemometrics was explored as a rapid, non-targeted screening method for the detection of milk powder (MP) adulteration using melamine as an example contaminant. Raman spectroscopy and an unsupervised pattern-recognition method, principal component analysis (PCA), allowed for the differentiation of authentic MPs from adulterated ones at concentrations > 1.0% for dry-blended (DB) samples and > 0.30% for wet-blended (WB) ones. Soft independent modelling of class analogy (SIMCA), a supervised pattern-recognition method, was also used to classify test samples as adulterated or authentic. Combined statistics at a 97% confidence level from the SIMCA models correctly classified adulteration of MP with melamine at concentrations ≥ 0.5% for DB samples and ≥ 0.30% for WB ones, while no false-positives from authentic MPs were found when the spectra in the 600-700 cm-1 range were pre-processed using standard normal variate (SNV) followed by a gap-segment derivatisation. The combined technique of Raman spectroscopy and chemometrics proved to be a useful tool for the rapid and cost-efficient non-targeted detection of adulteration in MP at per cent spiking levels. SN - 1944-0057 UR - https://www.unboundmedicine.com/medline/citation/27841972/Non_targeted_detection_of_milk_powder_adulteration_using_Raman_spectroscopy_and_chemometrics:_melamine_case_study_ DB - PRIME DP - Unbound Medicine ER -