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1. A Review on the Application of Chemometrics and Machine Learning Algorithms to Evaluate Beer Authentication

Author:
da Costa, Nattane Luíza; da Costa, Maxwell Severo; Barbosa, Rommel
Source:
Food analytical methods 2021 v.14 no.1 pp. 136-155
ISSN:
1936-9751
Subject:
chemometrics,   etc   ; beers; prediction;     Show all 3 Subjects
Abstract:
... Beer is considered one of the top three most popular drinks, being consumed all over the world. During the last few decades, discrimination of beverages and food products has gained attention with many application research studies based on chemical parameters and chemometric or machine learning algorithms. However, no reviews about the evaluation of beers have been reported. Therefore, this review ...
DOI:
10.1007/s12161-020-01864-7

2. Multivariate Calibration of Sulfur in Sour Crude Oils via Near-Infrared Spectra

Author:
Šašić, Slobodan; Yokelson, Howard; Kotecki, Todd; Austin, Stacy; Thacker, Kevin; Moore, Ralph
Source:
Energy & fuels 2021 v.35 no.8 pp. 6673-6680
ISSN:
1520-5029
Subject:
chemometrics,   etc   ; computer software; energy; prediction; sulfur;     Show all 5 Subjects
Abstract:
... Regular supplies of crude oils during a nominal two-year period were used to develop and test partial least squares (PLS) multivariate models for determining sulfur based on near-infrared (NIR) spectra. Several models built automatically by chemometrics software were selected for testing in a series of cross validations and via large, independent prediction data sets. Three “annual” multivariate m ...
DOI:
10.1021/acs.energyfuels.1c00409

3. A fast and inexpensive approach to characterize Slovak Tokaj selection wines using infrared spectroscopy and chemometrics

Author:
Machyňáková, Andrea; Schneider, Mateus P.; Khvalbota, Liudmyla; Vyviurska, Olga; Špánik, Ivan; Gomes, Adriano A.
Source:
Food chemistry 2021 v.357 pp. 129715
ISSN:
0308-8146
Subject:
chemometrics,   etc   ; food chemistry; infrared spectroscopy; models; prediction; wines; Hungary; Slovakia;     Show all 8 Subjects
Abstract:
... The Tokaj Selection wines (hungarian equivalent “Aszú”) are typical noble sweet wines produced in Tokaj wine region that falls within two countries, Slovakia and Hungary. Taking into account the economic importance and uniqueness of these wines, in this work, a new, fast and inexpensive method that combines infrared spectroscopy and multivariate models for characterization Slovak Tokaj Selection w ...
DOI:
10.1016/j.foodchem.2021.129715

4. Dynamic monitoring oxidation process of nut oils through Raman technology combined with PLSR and RF-PLSR model

Author:
Wang, Cheng; Sun, Yingying; Zhou, Yanyu; Cui, Yiwen; Yao, Weirong; Yu, Hang; Guo, Yahui; Xie, Yunfei
Source:
Lebensmittel-Wissenschaft + [i.e. und] Technologie 2021 v.146 pp. 111290
ISSN:
0023-6438
Subject:
chemometrics,   etc   ; Raman spectroscopy; models; oxidation; peroxide value; prediction;     Show all 6 Subjects
Abstract:
... During preservation of nuts, nut oils are easily oxidized; hence, peroxide value (PV) is an important evaluation index. In this study, a novel method for the determination of the PV of nuts based on partial-least-square regression (PLSR) and Forest random PLSR (RF-PLSR) model was established. Meanwhile, the Raman spectrum was processed by 24 spectral pretreatment methods to transform the whole Ram ...
DOI:
10.1016/j.lwt.2021.111290

5. Non-targeted HPLC-FLD fingerprinting for the detection and quantitation of adulterated coffee samples by chemometrics

Author:
Núñez, Nerea; Saurina, Javier; Núñez, Oscar
Source:
Food control 2021 v.124 pp. 107912
ISSN:
0956-7135
Subject:
chemometrics,   etc   ; adulterated products; detection; food safety; prediction; Vietnam;     Show all 6 Subjects
Abstract:
... Coffee is today one of the most popular beverages in the world and the determination of its authenticity is an important issue considering the increase of adulteration cases in the last years. In this work, a simple and efficient non-targeted HPLC-FLD fingerprinting method was employed to detect and quantify adulteration levels in coffee samples by partial least squares (PLS) regression to guarant ...
DOI:
10.1016/j.foodcont.2021.107912

6. Efficacy study on the non-destructive determination of water fractions in infrared-dried Lentinus edodes using multispectral imaging

Author:
Younas, Shoaib; Mao, Yu; Liu, Changhong; Liu, Wei; Jin, Tao; Zheng, Lei
Source:
Journal of food engineering 2021 v.289 pp. 110226
ISSN:
0260-8774
Subject:
chemometrics,   etc   ; Lentinula edodes; least squares; mushrooms; prediction; water analysis;     Show all 6 Subjects
Abstract:
... This study aimed to explain the non-destructive prediction of water fractions in Shiitake mushrooms (Lentinus edodes) using multispectral imaging (MSI) during far-infrared drying at 70 °C for different periods. Quantitative estimation of water fractions was obtained by combining MSI with chemometrics including partial least-squares (PLS), back propagation neural network (BPNN) and least squares-su ...
DOI:
10.1016/j.jfoodeng.2020.110226

7. Determining the end-date of long-ripening cheese maturation using NIR hyperspectral image modelling: A feasibility study

Author:
Priyashantha, Hasitha; Höjer, Annika; Saedén, Karin Hallin; Lundh, Åse; Johansson, Monika; Bernes, Gun; Geladi, Paul; Hetta, Mårten
Source:
Food control 2021 v.130 pp. 108316
ISSN:
0956-7135
Subject:
chemometrics,   etc   ; cheese ripening; cheeses; data collection; feasibility studies; food safety; hyperspectral imagery; models; prediction;     Show all 9 Subjects
Abstract:
... Near-infrared (874–1734 nm) hyperspectral (NIR-HS) imaging, coupled with chemometric tools, was used to explore the relationship between spectroscopic data and cheese maturation. A predictive tool to determine the end-date of cheese maturation (E-index, in days) was developed using a set of 425 NIR-HS images acquired during industrial-scale cheese production. The NIR-HS images were obtained by sca ...
DOI:
10.1016/j.foodcont.2021.108316

8. Development of a portable oil type classifier using laser-induced fluorescence spectrometer coupled with chemometrics

Author:
Loh, Andrew; Ha, Sung Yong; Kim, Donghwi; Lee, Joonseok; Baek, Kyonghoon; Yim, Un Hyuk
Source:
Journal of hazardous materials 2021 v.416 pp. 125723
ISSN:
0304-3894
Subject:
chemometrics,   etc   ; discriminant analysis; fluorescence; least squares; oil spills; oils; pollution; prediction; spectrometers;     Show all 9 Subjects
Abstract:
... Due to the recurrent small spills, oil pollution along coastal regions is still a major environmental issue. Standardized oil fingerprinting techniques are useful for oil spill identifications, but time- and resource-consuming. There have been ongoing needs for simple yet rapid approach for field screening of oil spill. Laser induced fluorescence (LIF) technology can be incorporated into a spectro ...
DOI:
10.1016/j.jhazmat.2021.125723

9. Prediction of a wide range of compounds concentration in raw coffee beans using NIRS, PLS and variable selection

Author:
Ribeiro, Juliano Souza; Salva, Terezinha de Jesus Garcia; Silvarolla, Maria Bernadete
Source:
Food control 2021 v.125 pp. 107967
ISSN:
0956-7135
Subject:
chemometrics,   etc   ; caffeine; calibration; food safety; models; multivariate analysis; near-infrared spectroscopy; prediction; trigonelline; variability; wavelengths;     Show all 11 Subjects
Abstract:
... Near infrared spectroscopy coupled to chemometrics has been proposed as a low cost, rapid and eco-friendly methodology in both off-line and on-line analyses of coffee beans and coffee beverages. However, there are some methodological restrictions regarding its use to quantify chemical constituents in raw coffee beans. In this sense, attention can be drawn to the slight variability of the reference ...
DOI:
10.1016/j.foodcont.2021.107967

10. Anisotropic effect on the predictability of intramuscular fat content in pork by hyperspectral imaging and chemometrics

Author:
Kucha, Christopher T.; Liu, Li; Ngadi, Michael; Gariépy, Claude
Source:
Meat science 2021 v.176 pp. 108458
ISSN:
0309-1740
Subject:
chemometrics,   etc   ; anisotropy; intramuscular fat; least squares; meat science; muscles; neural networks; pork; prediction;     Show all 9 Subjects
Abstract:
... The fibrous structure of meat muscle makes it an anisotropic optical material. As such, spectral information varies with the orientation of the muscle. In this study, spectral data from pork cuts were obtained by a transverse scan (TRANSCAN), radial scan (RADISCAN), and longitudinal scan (LONGSCAN) by using hyperspectral imaging. The information was used to develop and compare the prediction model ...
DOI:
10.1016/j.meatsci.2021.108458

11. Infrared spectroscopy coupled with chemometrics in coffee post-harvest processes as complement to the sensory analysis

Author:
Barrios-Rodríguez, Yeison Fernando; Rojas Reyes, Cristhian Andrés; Triana Campos, Joan Sebastián; Girón-Hernández, Joel; Rodríguez-Gamir, Juan
Source:
Lebensmittel-Wissenschaft + [i.e. und] Technologie 2021 v.145 pp. 111304
ISSN:
0023-6438
Subject:
chemometrics,   etc   ; Fourier transform infrared spectroscopy; complement; crop management; multivariate analysis; prediction; protocols; sensory evaluation;     Show all 8 Subjects
Abstract:
... Sensory evaluation provides subjective information about characteristics related to the crop management and post-harvesting of coffee. Fourier Transform Infrared Spectroscopy (FTIR) quickly and easily detects additional coffee characteristics to those obtained through sensory analysis. This work aimed to complement the sensory evaluation of Specialty coffee by using FTIR and chemometrics. Samples ...
DOI:
10.1016/j.lwt.2021.111304

12. Rapid Determination of Peroxide Value of Peanut Oils During Storage Based on Terahertz Spectroscopy

Author:
Liu, Wei; Zhao, Pengguang; Shi, Yule; Liu, Changhong; Zheng, Lei
Source:
Food analytical methods 2021 v.14 no.6 pp. 1269-1277
ISSN:
1936-9751
Subject:
chemometrics,   etc   ; absorbance; algorithms; least squares; models; oxidation; peanuts; peroxide value; prediction; principal component analysis; spectroscopy;     Show all 11 Subjects
Abstract:
... Terahertz (THz) spectroscopy was used to evaluate peroxide value (PV) of peanut oils during storage. Genetic algorithm (GA) and principal component analysis (PCA) were used as the pretreatment methods to reduce THz high-dimensional data. Interval partial least square (iPLS), back propagation neural network (BPNN), support vector regression (SVR), and partial least squares regression (PLSR) were co ...
DOI:
10.1007/s12161-020-01957-3

13. Development of a Universal Calibration Model for Quantification of Adulteration in Thai Jasmine Rice Using Near-infrared Spectroscopy

Author:
Wongsaipun, Sakunna; Theanjumpol, Parichat; Kittiwachana, Sila
Source:
Food analytical methods 2021 v.14 no.5 pp. 997-1010
ISSN:
1936-9751
Subject:
chemometrics,   etc   ; adulterants; adulterated products; models; near-infrared spectroscopy; prediction; rice; standard deviation;     Show all 8 Subjects
Abstract:
... In the event the substituent rice variety present in adulterated Thai jasmine rice cannot be identified, the adulterant rice in unknown samples could be inconsistent with that used to establish the calibration model resulting in inaccurate quantitative prediction of the adulteration level. In this research study, near-infrared (NIR) spectroscopy was applied to quantify the adulteration level of Th ...
DOI:
10.1007/s12161-020-01930-0

14. Development of NIR-HSI and chemometrics process analytical technology for drying of beef jerky

Author:
Achata, Eva M.; Esquerre, Carlos; Ojha, K. Shikha; Tiwari, Brijesh K.; O'Donnell, Colm P.
Source:
Innovative food science & emerging technologies 2021 v.69 pp. 102611
ISSN:
1466-8564
Subject:
chemometrics,   etc   ; food science; meat jerky; prediction; process control; ultrasonic treatment; ultrasonics; water activity; water content;     Show all 9 Subjects
Abstract:
... Beef jerky samples immersed in brine or water, both with and without ultrasound treatment were dried at 60 °C for 30, 60, 90, 120, 150, 180, 210 and 240 min. Drying behaviour was evaluated using ten drying kinetic models and hyperspectral imaging. All samples reached water activity values (Aw) < 0.85 during the first 90 min of drying. Moisture content (MC) of beef jerky was predicted using near in ...
DOI:
10.1016/j.ifset.2021.102611

15. FRUITNIR-GUI: A graphical user interface for correcting external influences in multi-batch near infrared experiments related to fruit quality prediction

Author:
Mishra, Puneet; Roger, Jean Michel; Marini, Federico; Biancolillo, Alessandra; Rutledge, Douglas N.
Source:
Postharvest biology and technology 2021 v.175 pp. 111414
ISSN:
0925-5214
Subject:
chemometrics,   etc   ; fruit quality; fruits; models; near-infrared spectroscopy; prediction; user interface;     Show all 7 Subjects
Abstract:
... Near infrared (NIR) spectroscopy is widely used for non-destructive prediction of fruit traits. Common traits such as dry matter (DM) and soluble solids contents (SSC) can be predicted with reliable accuracy. However, the main problem with NIR spectroscopy is that a model developed on one batch may not perform very well when tested on other batches. Reasons for that are the physical, chemical and ...
DOI:
10.1016/j.postharvbio.2020.111414

16. Inductively coupled plasma mass spectrometry (ICP-MS) and inductively coupled plasma optical emission spectrometer (ICP-OES)-based discrimination for the authentication of tea

Author:
Liu, Hong-lin; Meng, Qing; Zhao, Xin; Ye, Yu-long; Tong, Hua-rong
Source:
Food control 2021 v.123 pp. 107735
ISSN:
0956-7135
Subject:
chemometrics,   etc   ; atomic absorption spectrometry; data collection; food safety; prediction; spectrometers; stable isotopes; tea; technology;     Show all 9 Subjects
Abstract:
... Multielement and stable isotopes analysis combined with chemometrics as a potential tool for first authenticity discrimination of teas. Eighty-four statistically significant elements and stable isotopes from Chongqing tuo tea with 4 formulations were determined using ICP-MS and ICP-OES. Four chemometrics were used to build discrimination models.The discrimination of PLS-DA and LDA were better than ...
DOI:
10.1016/j.foodcont.2020.107735

17. Deep chemometrics for nondestructive photosynthetic pigments prediction using leaf reflectance spectra

Author:
Prilianti, Kestrilia Rega; Setiyono, Edi; Kelana, Oesman Hendra; Brotosudarmo, Tatas Hardo Panintingjati
Source:
Information processing in agriculture 2021 v.8 no.1 pp. 194-204
ISSN:
2214-3173
Subject:
chemometrics,   etc   ; agriculture; anthocyanins; carotenoids; chlorophyll; information; leaf reflectance; neural networks; photosynthesis; prediction; rapid methods;     Show all 11 Subjects
Abstract:
... The need for the rapid assessment of the photosynthetic pigment contents in plants has encouraged the development of studies to produce nondestructive quantification methods. This need is driven by the fact that data on the photosynthetic pigment contents can provide a variety of important information that is related to plant conditions. Using deep chemometrics, we developed a novel one-dimensiona ...
DOI:
10.1016/j.inpa.2020.02.001

18. Measurement of water fractions in freeze-dried shiitake mushroom by means of multispectral imaging (MSI) and low-field nuclear magnetic resonance (LF-NMR)

Author:
Younas, Shoaib; Mao, Yu; Liu, Changhong; Murtaza, Mian Anjum; Ali, Zeshan; Wei, Liyang; Liu, Wei; Zheng, Lei
Source:
Journal of food composition and analysis 2021 v.96 pp. 103694
ISSN:
0889-1575
Subject:
chemometrics,   etc   ; bound water; food composition; freeze drying; mushrooms; nuclear magnetic resonance spectroscopy; prediction; water distribution;     Show all 8 Subjects
Abstract:
... The production of high-quality processed foods requires an in-depth understanding of water distribution in cellular spaces. This study validated the non-destructive investigation of water fractions in freeze-dried shiitake mushrooms using multispectral imaging (MSI) at 405−970 nm and low-field nuclear magnetic resonance (LF-NMR). The quantitative modeling of water fractions including partial least ...
DOI:
10.1016/j.jfca.2020.103694

19. Geographical origin and botanical type honey authentication through elemental metabolomics via chemometrics

Author:
Drivelos, Spiros A.; Danezis, Georgios P.; Halagarda, Michał; Popek, Stanisław; Georgiou, Constantinos A.
Source:
Food chemistry 2021 v.338 pp. 127936
ISSN:
0308-8146
Subject:
chemometrics,   etc   ; accuracy; classification; cluster analysis; discriminant analysis; food chemistry; honey; information; metabolomics; models; prediction; provenance;     Show all 12 Subjects
Abstract:
... The trace and rare earth elements content of 93 honeys of different botanical type and origin have been studied through ICP-MS. Discriminant Analysis (DA) was successful for botanical type and geographical origin classification while Cluster Analysis (CA) was successful only for botanical type. Through Probabilistic Neural Network (PNN) analysis, 85.3% were correctly classified by the network acco ...
DOI:
10.1016/j.foodchem.2020.127936

20. Chemometric Discrimination of the Geographical Origin of Three Greek Cultivars of Olive Oils by Stable Isotope Ratio Analysis

Author:
Tarapoulouzi, Maria; Skiada, Vasiliki; Agriopoulou, Sofia; Psomiadis, David; Rébufa, Catherine; Roussos, Sevastianos; Theocharis, Charis R.; Katsaris, Panagiotis; Varzakas, Theodoros
Source:
Foods 2021 v.10 no.2
ISSN:
2304-8158
Subject:
chemometrics,   etc   ; classification; cultivars; discriminant analysis; models; olive oil; olives; prediction; provenance; research; spectrometers; stable isotopes; Greece;     Show all 13 Subjects
Abstract:
... Α stable isotope ratio mass spectrometer was used for stable isotope ratio (i.e., δ¹³C, δ¹⁸O, and δ²H) measurements, achieving geographical discrimination using orthogonal projections to latent structures discriminant analysis. A total of 100 Greek monovarietal olive oil samples from three different olive cultivars (cv. Koroneiki, cv. Lianolia Kerkyras, and cv. Maurolia), derived from Central Gree ...
DOI:
10.3390/foods10020336