Improved calibration transfer between near-Infrared (NIR) spectrometers using canonical correlation analysis

Yang, Junxing; Lou, Xiaoping; Yang, Hongqi; Yang, Huibing; Liu, Chaoying; Wu, Jingjing; Bin, Jun

doi:10.1080/00032719.2019.1604725

Cited by 16 publications

(10 citation statements)

References 31 publications

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“…Finally, there are also new approaches to the critical problem of calibration transfer, which is the use of a model or method that was developed on a different-often central-geographically distributed transfer instrument. This is important since all instruments contain small differences and an effective calibration transfer [149] approach obviates the need to develop a unique model on each transfer instrument. Skotare et al [150] recently reported on the use of a novel approach called joint and unique multiblock analysis (JUMBA) to achieve instrument standardization to transfer models effectively compared to traditional approaches.…”

Section: Nir In Food and Pharmaceutical Raw Materialsmentioning

confidence: 99%

QCM Sensor Arrays, Electroanalytical Techniques and NIR Spectroscopy Coupled to Multivariate Analysis for Quality Assessment of Food Products, Raw Materials, Ingredients and Foodborne Pathogen Detection: Challenges and Breakthroughs

Bwambok

Siraj

Macchi

et al. 2020

Sensors

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Quality checks, assessments, and the assurance of food products, raw materials, and food ingredients is critically important to ensure the safeguard of foods of high quality for safety and public health. Nevertheless, quality checks, assessments, and the assurance of food products along distribution and supply chains is impacted by various challenges. For instance, the development of portable, sensitive, low-cost, and robust instrumentation that is capable of real-time, accurate, and sensitive analysis, quality checks, assessments, and the assurance of food products in the field and/or in the production line in a food manufacturing industry is a major technological and analytical challenge. Other significant challenges include analytical method development, method validation strategies, and the non-availability of reference materials and/or standards for emerging food contaminants. The simplicity, portability, non-invasive, non-destructive properties, and low-cost of NIR spectrometers, make them appealing and desirable instruments of choice for rapid quality checks, assessments and assurances of food products, raw materials, and ingredients. This review article surveys literature and examines current challenges and breakthroughs in quality checks and the assessment of a variety of food products, raw materials, and ingredients. Specifically, recent technological innovations and notable advances in quartz crystal microbalances (QCM), electroanalytical techniques, and near infrared (NIR) spectroscopic instrument development in the quality assessment of selected food products, and the analysis of food raw materials and ingredients for foodborne pathogen detection between January 2019 and July 2020 are highlighted. In addition, chemometric approaches and multivariate analyses of spectral data for NIR instrumental calibration and sample analyses for quality assessments and assurances of selected food products and electrochemical methods for foodborne pathogen detection are discussed. Moreover, this review provides insight into the future trajectory of innovative technological developments in QCM, electroanalytical techniques, NIR spectroscopy, and multivariate analyses relating to general applications for the quality assessment of food products.

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Section: Nir In Food and Pharmaceutical Raw Materialsmentioning

confidence: 99%

QCM Sensor Arrays, Electroanalytical Techniques and NIR Spectroscopy Coupled to Multivariate Analysis for Quality Assessment of Food Products, Raw Materials, Ingredients and Foodborne Pathogen Detection: Challenges and Breakthroughs

Bwambok

Siraj

Macchi

et al. 2020

Sensors

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“…The aforementioned techniques offered sensitivity, selectivity and precision yet they were time-consuming, destructive and required extensive sample preparation. On the contrary, spectroscopic techniques including Fourier transforminfrared (FTIR), near-infrared (NIR) and Raman spectroscopy have shown to be quicker, simpler and mobile (Faisall et al 2009;Assi et al 2011a;Assi et al 2011b;Caporaso et al 2018;Bouyé et al 2018;Correia et al 2018;Yang et al 2019;Fedchak 2014;Crocombe 2018;Gerace et al 2019). When combined with multivariate regression analysis, spectroscopic techniques offered rapid, on-spot and non-destructive quantification of APIs medicines (The Medicines Compendium Modafinil Provigil 100 mg Tablets 2020; Crocombe 2018).…”

Section: Introductionmentioning

confidence: 99%

On-spot quantification of modafinil in generic medicines purchased from the Internet using handheld Fourier transform-infrared, near-infrared and Raman spectroscopy

et al. 2020

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Poor quality medicines represent an expanding global public health threat facilitated by the Internet. A recent survey showed that one in five students have used modafinil to enhance learning ability mainly purchased from Internet sources. The aim of this work was to develop on-the-spot and simple methods for the quantification of modafinil in generic medicines using Fourier transform-infrared (FTIR), near-infrared (NIR) and Raman spectroscopy along with partial least square regression (PLSR). Modafinil tablets were measured in intact form using NIR and Raman and in powdered form using FTIR, NIR and Raman. Additionally, powder mixtures of crushed modafinil tablets and excipient(s) were prepared either by diluting the crushed tablets with excipient(s), or sequentially adding excipient(s) to the crushed tablets. Three PLSR models were constructed in MATLAB 2014a from powder mixtures and two from intact and powdered tablets. For FTIR and Raman spectroscopy, PLSR models based on tablets gave linear calibration curve with correlation coefficient (r 2) values above 0.94 and a root mean square error of calibration (RMSEC) below 0.96% m/m. Conversely, the PLSR model based on powder sequential addition gave the highest accuracy using the NIR spectra (r 2 = 0.99, RMSEC = 1.15% m/m). The latter model showed accuracy in predicting the concentration of the active pharmaceutical ingredient in modafinil generic medicines proving their authenticity. The overall results showed that the combination of the three spectroscopic methods with PLSR offered a rapid technique for authenticating generic modafinil medicines.

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“…NIR has been proved to be a powerful analytical tool combined with partial least squares (PLS) which is a commonly used multivariate calibration [6,7]. However, full spectra have much redundant information in the spectral data such as noise, background and overlapping information that would influence the model development and prediction [8].…”

Section: Introductionmentioning

confidence: 99%

Optimal modeling pattern of variables selection on analog complex using UVE-PLS regression

Huang

Tian

2020

IOPSciNotes

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This study aimed to determine the composition of chemical complex by partial least square (PLS) regression models combined with uninformative variable elimination (UVE). The near-infrared (NIR) spectra of the forty samples were determined and then UVE was used to compress full NIR spectra from 12011 redundant variables to dozens of variables. Finally, 54, 16, 27, 31 and 42 variables were selected by UVE for 2,2,4-Trimethylpentane, Heptane, Cyclohexane, Ethyl formate and Butyl acetate respectively. Selected variables were used as the inputs of PLS model for quantitative analysis which made the prediction of the model more robust and accurate compared with the conventional PLS.

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Improved calibration transfer between near-Infrared (NIR) spectrometers using canonical correlation analysis

Cited by 16 publications

References 31 publications

QCM Sensor Arrays, Electroanalytical Techniques and NIR Spectroscopy Coupled to Multivariate Analysis for Quality Assessment of Food Products, Raw Materials, Ingredients and Foodborne Pathogen Detection: Challenges and Breakthroughs

QCM Sensor Arrays, Electroanalytical Techniques and NIR Spectroscopy Coupled to Multivariate Analysis for Quality Assessment of Food Products, Raw Materials, Ingredients and Foodborne Pathogen Detection: Challenges and Breakthroughs

On-spot quantification of modafinil in generic medicines purchased from the Internet using handheld Fourier transform-infrared, near-infrared and Raman spectroscopy

Optimal modeling pattern of variables selection on analog complex using UVE-PLS regression

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