Bio-applications of NIR Spectroscopy

Huck, Christian

doi:10.1007/978-981-15-8648-4_19

Cited by 4 publications

(2 citation statements)

References 32 publications

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“…Data elaboration and analysis were performed with PLS toolbox 8.9.1 (Eigenvector Inc., Manson, WA, USA) and in-house routines programmed in MATLAB 9.10.0.1602886-R2021a (Mathworks Inc., Natick, MA, USA). The source code is available upon request [34].…”

Section: Methodsmentioning

confidence: 99%

On the Importance of Investigating Data Structure in Miniaturized NIR Spectroscopy Measurements of Food: The Case Study of Sugar

Gorla

Taborelli

Alamprese

et al. 2023

Foods

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Alongside the increasing proofs of efficacy of miniaturized NIR instruments in food-related scenarios, it is progressively growing the number of end-users, even incentivized by the low-cost of the sensors. While attention is paid to the analytical protocol–from sampling to data collection, up to the data processing, the importance of error investigation in raw data is generally underestimated. Understanding the sources and the structure of uncertainty related to the raw data improves the quality of measurements and suggests the correct planning of the experiments, as well as helps in chemometric model development. The goal of chemometric modeling is to separate information from noise; therefore, a description of the nature of measurement error structure is necessary. Among the different approaches, we present the study of the Error Covariance Matrices (ECMs) and their decomposition in a bilinear structure as a powerful method to study the main sources of variability when using miniaturized NIR sensors in the actual way of use. Granulated and lump sugar samples were chosen as the case study and analyzed with two miniaturized spectrometers working in the NIR regions around 1350–2550 nm and 900–1750 nm, respectively, in dispersive reflectance mode. Results show that having some insights on multivariate measurement errors associated with spectra could be interesting in paving the way for several applications.

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Section: Methodsmentioning

confidence: 99%

On the Importance of Investigating Data Structure in Miniaturized NIR Spectroscopy Measurements of Food: The Case Study of Sugar

Gorla

Taborelli

Alamprese

et al. 2023

Foods

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“…This feature of NIR spectra is the major reason for much lower chemical specificity of NIR spectroscopy, which hindered its advancement in certain applications, in which the mentioned competing techniques, superior in their chemical specificity, have become well-established. 5,6 The molecular mechanisms and background for NIR vibrational transitions were previously discussed by us in detail in focused literature. 7 At this point I would like to emphasize that despite the intrinsic convolution, numerous bands populating NIR spectra carry plentiful information for chemical analysis.…”

Section: Introductionmentioning

confidence: 99%

Current frontiers in quantum chemical simulations of NIR spectra – Polymers, biomolecules, aqueous matrix and interpretation of instrumental difference of handheld spectrometers

Grabska

2021

NIR news

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Analytical near-infrared (NIR) spectroscopy has developed rapidly over the past few decades and is today of incredible value for academic, industrial and institutional laboratories. These developments are closely related to the development of instruments and miniaturization, as well as the methods of multivariate analysis. The strong stimulus for the development of NIR spectroscopy originating from the application field resulted in the advancement of this technique to suite unitarian goals. By contrast, less actively explored have been the foundations of NIR spectroscopy. Much of the information contained in the NIR spectrum is still not easily accessible for the purpose of basic research. In the past few years, a promising development has been made in application of the methods of computational chemistry to NIR spectroscopy. In this article, the current frontier of this advancement is summarized. The scope of the recent accomplishments shifts closer to the challenging real-life problems, such as interactions of the analysed molecules with the matrix, including the aqueous environment. Particular attention was given to the interpretation of the chemical factors underlying instrumental differences between miniaturized NIR spectrometers using different technology and optical solutions. The applicability of the methods of computational chemistry to unravel intricate NIR spectral features of complex molecules such as biomolecules and polymers should be highlighted as well.

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Approaches to the Determination of the Growing Location of Mossy Pine Forests Based on the Spectral Characteristics of Ecologically Dependent Wood Components

Khokh

2022

Lecture Notes in Networks and Systems

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Bio-applications of NIR Spectroscopy

Cited by 4 publications

References 32 publications

On the Importance of Investigating Data Structure in Miniaturized NIR Spectroscopy Measurements of Food: The Case Study of Sugar

On the Importance of Investigating Data Structure in Miniaturized NIR Spectroscopy Measurements of Food: The Case Study of Sugar

Current frontiers in quantum chemical simulations of NIR spectra – Polymers, biomolecules, aqueous matrix and interpretation of instrumental difference of handheld spectrometers

Approaches to the Determination of the Growing Location of Mossy Pine Forests Based on the Spectral Characteristics of Ecologically Dependent Wood Components

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