An Overview on the Application of Chemometrics Tools in Food Authenticity and Traceability

González‐Domínguez, Raúl; Sayago, Ana; Fernández-Recamales, Ángeles

doi:10.3390/foods11233940

Cited by 25 publications

(7 citation statements)

References 43 publications

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“…This analysis explains the maximum variability in the response within the context of linear regression . PLSR models can be prone to overfitting, especially when the number of latent variables/components is not properly chosen . To overcome this issue, the number of latent variables/components required to build the PLSR model is carefully chosen, as indicated in Figure .…”

Section: Resultsmentioning

confidence: 99%

Raman Spectroscopy for the Quantitative Analysis of Solid Dosage Forms of the Active Pharmaceutical Ingredient of Febuxostat

Rimsha,

Shahbaz,

Majeed

et al. 2023

ACS Omega

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Raman spectroscopy has been used to characterize and quantify the solid dosage forms of the commercially available drug febuxostat. For this purpose, different formulations consisting of the febuxostat (API) and excipients with different concentrations of the API are prepared and analyzed by Raman spectroscopy to identify different spectral features related to the febuxostat API and excipients. Multivariate data analysis tools such as principal component analysis (PCA) and partial least-squares regression (PLSR) analysis are used for qualitative and quantitative analyses. PCA has been found to be useful for the qualitative monitoring of various solid dosage forms. PLSR analysis has led to the successful prediction of API concentration in the unknown samples with a sensitivity and a selectivity of 98 and 99%, respectively. Moreover, the root-mean-square error (RMSE) of calibration and validation of the PLSR model has been found to be 2.9033 and 1.35, respectively. Notably, it is found to be very helpful for the comparison between the self-made formulations of febuxostat and commercially available febuxostat tablets (40 and 80 mg) of two different brands (Gouric and Zurig). These results showed that Raman spectroscopy can be a useful and reliable technique for identifying and quantifying the active pharmaceutical ingredient (API) in commercially available solid dosage forms.

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Section: Resultsmentioning

confidence: 99%

Raman Spectroscopy for the Quantitative Analysis of Solid Dosage Forms of the Active Pharmaceutical Ingredient of Febuxostat

Rimsha,

Shahbaz,

Majeed

et al. 2023

ACS Omega

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“…Unsupervised methods are based on the identification of sample interrelationships without prior information about class membership. [ 186 ] PCA reduces the dimensionality of the data by identifying the principal components (PC) with the most variance (e.g., PC1 and PC2). It does not utilize labels or user‐defined information but can be used as an exploratory type of analysis to visualize similarities and differences between groups of data.…”

Section: Chemometrics and Machine Learning For The Detection Of Mycot...mentioning

confidence: 99%

Advancing Mycotoxin Detection in Food and Feed: Novel Insights from Surface‐Enhanced Raman Spectroscopy (SERS)

Logan,

Cao,

Freitag

et al. 2024

Advanced Materials

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The implementation of low‐cost and rapid technologies for the on‐site detection of mycotoxin‐contaminated crops is a promising solution to address the growing concerns of the agri‐food industry. Recently, there have been significant developments in Surface‐enhanced Raman spectroscopy (SERS) for the direct detection of mycotoxins in food and feed. This review provides an overview of the most recent advancements in the utilization of SERS through the successful fabrication of novel nanostructured materials. Various bottom‐up and top‐down approaches have demonstrated their potential in improving sensitivity, while many applications exploit the immobilization of recognition elements and molecular imprinted polymers (MIPs) to enhance specificity and reproducibility in complex matrices. Therefore, the design and fabrication of nanomaterials is of utmost importance and are presented herein. We uncover that limited studies establish limits of detection (LODs) or conduct validation using naturally contaminated samples. One decade on, SERS is still lacking significant progress and there is a disconnect between the technology, the European regulatory limits, and the intended end‐user. Ongoing challenges and potential solutions are discussed including nanofabrication, molecular binders, and data analytics. Recommendations to assay design, portability, and substrate stability are made to help improve the potential and feasibility of SERS for future on‐site agri‐food applications.This article is protected by copyright. All rights reserved

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“…Additionally, artificial neural networks (ANNs) are supervised mathematical techniques that can be used to build data patterns. ANNs are capable of predicting categorical and quantitative variables [21].…”

Section: Preprocessing and Chemometricsmentioning

confidence: 99%

Rapid Sensing: Hand-Held and Portable FTIR Applications for On-Site Food Quality Control from Farm to Fork

et al. 2023

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Today, one of the world’s biggest problems is the assurance of food integrity from farm to fork. Economically motivated food adulteration and food authenticity problems are increasing daily with considerable health and economic effects. Early detection and prevention of food integrity-related problems could be provided by the application of effective on-site food analysis technologies. FTIR spectroscopy coupled with chemometrics can be used for the rapid quality control of a wide variety of food products with fast, high-throughput, accurate and nondestructive analysis advantages. In particular, hand-held and portable FTIR instruments have the potential to surveil food quality and food safety in various critical segments of the food supply chain. In this review, we explore the abilities of hand-held and portable FTIR spectrometers combined with multivariate statistics to conduct a quality evaluation of various food products in terms of food adulteration and authenticity issues. An examination of the literature showed that comparable results were obtained based on detection limits, correlation coefficient (R2) values, standard error values and discrimination power by using both portable/hand-held FTIR spectrometers and benchtop FTIR spectrometers. In conclusion, this review highlights the potential usefulness of portable and hand-held FTIR spectrometers combined with chemometrics for maintaining the food quality through the presentation of various applications that may shed light for on-site food control at any point of the food supply chain.

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An Overview on the Application of Chemometrics Tools in Food Authenticity and Traceability

Cited by 25 publications

References 43 publications

Raman Spectroscopy for the Quantitative Analysis of Solid Dosage Forms of the Active Pharmaceutical Ingredient of Febuxostat

Raman Spectroscopy for the Quantitative Analysis of Solid Dosage Forms of the Active Pharmaceutical Ingredient of Febuxostat

Advancing Mycotoxin Detection in Food and Feed: Novel Insights from Surface‐Enhanced Raman Spectroscopy (SERS)

Rapid Sensing: Hand-Held and Portable FTIR Applications for On-Site Food Quality Control from Farm to Fork

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