The Sample, the Spectra and the Maths—The Critical Pillars in the Development of Robust and Sound Applications of Vibrational Spectroscopy
The last two decades have witnessed an increasing interest in the use of the so-called rapid analytical methods or high throughput techniques. Most of these applications reported the use of vibrational spectroscopy methods (near infrared (NIR), mid infrared (MIR), and Raman) in a wide range of sampl...
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| Format: | Article |
| Language: | English |
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MDPI AG
2020-08-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/25/16/3674 |
| _version_ | 1797558691466051584 |
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| author | Daniel Cozzolino |
| author_facet | Daniel Cozzolino |
| author_sort | Daniel Cozzolino |
| collection | DOAJ |
| description | The last two decades have witnessed an increasing interest in the use of the so-called rapid analytical methods or high throughput techniques. Most of these applications reported the use of vibrational spectroscopy methods (near infrared (NIR), mid infrared (MIR), and Raman) in a wide range of samples (e.g., food ingredients and natural products). In these applications, the analytical method is integrated with a wide range of multivariate data analysis (MVA) techniques (e.g., pattern recognition, modelling techniques, calibration, etc.) to develop the target application. The availability of modern and inexpensive instrumentation together with the access to easy to use software is determining a steady growth in the number of uses of these technologies. This paper underlines and briefly discusses the three critical pillars—the sample (e.g., sampling, variability, etc.), the spectra and the mathematics (e.g., algorithms, pre-processing, data interpretation, etc.)—that support the development and implementation of vibrational spectroscopy applications. |
| first_indexed | 2024-03-10T17:34:03Z |
| format | Article |
| id | doaj.art-e6dbab7973ef456f929fdeeed2d8fff5 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-10T17:34:03Z |
| publishDate | 2020-08-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-e6dbab7973ef456f929fdeeed2d8fff52023-11-20T09:55:26ZengMDPI AGMolecules1420-30492020-08-012516367410.3390/molecules25163674The Sample, the Spectra and the Maths—The Critical Pillars in the Development of Robust and Sound Applications of Vibrational SpectroscopyDaniel Cozzolino0Centre for Nutrition and Food Sciences, Queensland Alliance for Agriculture and Food Innovation (QAAFI), The University of Queensland, Brisbane, Queensland 4072, AustraliaThe last two decades have witnessed an increasing interest in the use of the so-called rapid analytical methods or high throughput techniques. Most of these applications reported the use of vibrational spectroscopy methods (near infrared (NIR), mid infrared (MIR), and Raman) in a wide range of samples (e.g., food ingredients and natural products). In these applications, the analytical method is integrated with a wide range of multivariate data analysis (MVA) techniques (e.g., pattern recognition, modelling techniques, calibration, etc.) to develop the target application. The availability of modern and inexpensive instrumentation together with the access to easy to use software is determining a steady growth in the number of uses of these technologies. This paper underlines and briefly discusses the three critical pillars—the sample (e.g., sampling, variability, etc.), the spectra and the mathematics (e.g., algorithms, pre-processing, data interpretation, etc.)—that support the development and implementation of vibrational spectroscopy applications.https://www.mdpi.com/1420-3049/25/16/3674vibrational spectroscopysamplingmultivariate data analysiserrorvalidation |
| spellingShingle | Daniel Cozzolino The Sample, the Spectra and the Maths—The Critical Pillars in the Development of Robust and Sound Applications of Vibrational Spectroscopy Molecules vibrational spectroscopy sampling multivariate data analysis error validation |
| title | The Sample, the Spectra and the Maths—The Critical Pillars in the Development of Robust and Sound Applications of Vibrational Spectroscopy |
| title_full | The Sample, the Spectra and the Maths—The Critical Pillars in the Development of Robust and Sound Applications of Vibrational Spectroscopy |
| title_fullStr | The Sample, the Spectra and the Maths—The Critical Pillars in the Development of Robust and Sound Applications of Vibrational Spectroscopy |
| title_full_unstemmed | The Sample, the Spectra and the Maths—The Critical Pillars in the Development of Robust and Sound Applications of Vibrational Spectroscopy |
| title_short | The Sample, the Spectra and the Maths—The Critical Pillars in the Development of Robust and Sound Applications of Vibrational Spectroscopy |
| title_sort | sample the spectra and the maths the critical pillars in the development of robust and sound applications of vibrational spectroscopy |
| topic | vibrational spectroscopy sampling multivariate data analysis error validation |
| url | https://www.mdpi.com/1420-3049/25/16/3674 |
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