partial least square regression
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Foods ◽  
2022 ◽  
Vol 11 (2) ◽  
pp. 180
Author(s):  
Ammaraporn Pinsuwan ◽  
Suntaree Suwonsichon ◽  
Penkwan Chompreeda ◽  
Witoon Prinyawiwatkul

The link between coffee aroma/flavor and elicited emotions remains underexplored. This research identified key sensory characteristics of brewed black coffee that affected acceptance, purchase intent and emotions for Thai consumers. Eight Arabica coffee samples were evaluated by eight trained descriptive panelists for intensities of 26 sensory attributes and by 100 brewed black coffee users for acceptance, purchase intent and emotions. Results showed that the samples exhibited a wide range of sensory characteristics, and large differences were mainly described by the attributes coffee identity (coffee ID), roasted, bitter taste, balance/blended and fullness. Differences also existed among the samples for overall liking, purchase intent and most emotion terms. Partial least square regression analysis revealed that liking, purchase intent and positive emotions, such as active, alert, awake, energetic, enthusiastic, feel good, happy, jump start, impressed, pleased, refreshed and vigorous were driven by coffee ID, roasted, ashy, pipe tobacco, bitter taste, rubber, overall sweet, balanced/blended, fullness and longevity. Contrarily, sour aromatic, sour taste, fruity, woody, musty/earthy, musty/dusty and molasses decreased liking, purchase intent and positive emotions, and stimulated negative emotions, such as disappointed, grouchy and unfulfilled. This information could be useful for creating or modifying the sensory profile of brewed black coffee to increase consumer acceptance.


Molecules ◽  
2022 ◽  
Vol 27 (2) ◽  
pp. 335
Author(s):  
Ning Ai ◽  
Yibo Jiang ◽  
Sainab Omar ◽  
Jiawei Wang ◽  
Luyue Xia ◽  
...  

Near-infrared (NIR) spectroscopy and characteristic variables selection methods were used to develop a quick method for the determination of cellulose, hemicellulose, and lignin contents in Sargassum horneri. Calibration models for cellulose, hemicellulose, and lignin in Sargassum horneri were established using partial least square regression methods with full variables (full-PLSR). The PLSR calibration models were established by four characteristic variables selection methods, including interval partial least square (iPLS), competitive adaptive reweighted sampling (CARS), correlation coefficient (CC), and genetic algorithm (GA). The results showed that the performance of the four calibration models, namely iPLS-PLSR, CARS-PLSR, CC-PLSR, and GA-PLSR, was better than the full-PLSR calibration model. The iPLS method was best in the performance of the models. For iPLS-PLSR, the determination coefficient (R2), root mean square error (RMSE), and residual predictive deviation (RPD) of the prediction set were as follows: 0.8955, 0.8232%, and 3.0934 for cellulose, 0.8669, 0.4697%, and 2.7406 for hemicellulose, and 0.7307, 0.7533%, and 1.9272 for lignin, respectively. These findings indicate that the NIR calibration models can be used to predict cellulose, hemicellulose, and lignin contents in Sargassum horneri quickly and accurately.


2022 ◽  
Vol 52 (7) ◽  
Author(s):  
Pedro Paulo da Silva Barros ◽  
Peterson Ricardo Fiorio ◽  
José Alexandre de Melo Demattê ◽  
Juliano Araújo Martins ◽  
Zaqueu Fernando Montezano ◽  
...  

ABSTRACT: Sugarcane is a good source of renewable energy and helps reduce the emission of greenhouse gases. Nitrogen has a critical role in plant growth; therefore,estimating nitrogen levels is essential, and remote sensing can improve fertilizer management. This field study selects wavelengths from hyperspectral data on a sugarcane canopy to generate models for estimating leaf nitrogen concentrations. The study was carried out in the municipalities of Piracicaba, Jaú, and Santa Maria da Serra, state of São Paulo, in the 2013/2014 growing season. The experiments were carried out using a completely randomized block design with split plots (three sugarcane varieties per plot [variety SP 81-3250 was common to all plots] and four nitrogen concentrations [0, 50, 100, and 150 kgha-1] per subplot) and four repetitions. The wavelengths that best correlated with leaf nitrogen were selected usingsparse partial least square regression. The wavelength regionswere combinedby stepwise multiple linear regression. Spectral bands in the visible (700-705 nm), red-edge (710-720 nm), near-infrared (725, 925, 955, and 980 nm), and short-wave infrared (1355, 1420, 1595, 1600, 1605, and 1610 nm) regions were identified. The R² and RMSE of the model were 0.50 and 1.67 g.kg-1, respectively. The adjusted R² and RMSE of the models for Piracicaba, Jaú, and Santa Maria were 0.31 (unreliable) and 1.30 g.kg-1, 0.53 and 1.96 g.kg-1, and 0.54 and 1.46 g.kg-1, respectively. Our results showed that canopy hyperspectral reflectance can estimate leaf nitrogen concentrations and manage nitrogen application in sugarcane.


Sensors ◽  
2021 ◽  
Vol 22 (1) ◽  
pp. 286
Author(s):  
Ofélia Anjos ◽  
Ilda Caldeira ◽  
Tiago A. Fernandes ◽  
Soraia Inês Pedro ◽  
Cláudia Vitória ◽  
...  

Near-infrared spectroscopic (NIR) technique was used, for the first time, to predict volatile phenols content, namely guaiacol, 4-methyl-guaiacol, eugenol, syringol, 4-methyl-syringol and 4-allyl-syringol, of aged wine spirits (AWS). This study aimed to develop calibration models for the volatile phenol’s quantification in AWS, by NIR, faster and without sample preparation. Partial least square regression (PLS-R) models were developed with NIR spectra in the near-IR region (12,500–4000 cm−1) and those obtained from GC-FID quantification after liquid-liquid extraction. In the PLS-R developed method, cross-validation with 50% of the samples along a validation test set with 50% of the remaining samples. The final calibration was performed with 100% of the data. PLS-R models with a good accuracy were obtained for guaiacol (r2 = 96.34; RPD = 5.23), 4-methyl-guaiacol (r2 = 96.1; RPD = 5.07), eugenol (r2 = 96.06; RPD = 5.04), syringol (r2 = 97.32; RPD = 6.11), 4-methyl-syringol (r2 = 95.79; RPD = 4.88) and 4-allyl-syringol (r2 = 95.97; RPD = 4.98). These results reveal that NIR is a valuable technique for the quality control of wine spirits and to predict the volatile phenols content, which contributes to the sensory quality of the spirit beverages.


Foods ◽  
2021 ◽  
Vol 11 (1) ◽  
pp. 75
Author(s):  
Thierry Delatour ◽  
Florian Becker ◽  
Julius Krause ◽  
Roman Romero ◽  
Robin Gruna ◽  
...  

With the rising trend of consumers being offered by start-up companies portable devices and applications for checking quality of purchased products, it appears of paramount importance to assess the reliability of miniaturized sensors embedded in such devices. Here, eight sensors were assessed for food fraud applications in skimmed milk powder. The performance was evaluated with dry- and wet-blended powders mimicking adulterated materials by addition of either ammonium sulfate, semicarbazide, or cornstarch in the range 0.5–10% of profit. The quality of the spectra was assessed for an adequate identification of the outliers prior to a deep assessment of performance for both non-targeted (soft independent modelling of class analogy, SIMCA) and targeted analyses (partial least square regression with orthogonal signal correction, OPLS). Here, we show that the sensors have generally difficulties in detecting adulterants at ca. 5% supplementation, and often fail in achieving adequate specificity and detection capability. This is a concern as they may mislead future users, particularly consumers, if they are intended to be developed for handheld devices available publicly in smartphone-based applications.


Foods ◽  
2021 ◽  
Vol 11 (1) ◽  
pp. 43
Author(s):  
Maninder Meenu ◽  
Yaqian Zhang ◽  
Uma Kamboj ◽  
Shifeng Zhao ◽  
Lixia Cao ◽  
...  

The quantification of β-glucan in oats is of immense importance for plant breeders and food scientists to develop plant varieties and food products with a high quantity of β-glucan. However, the chemical analysis of β-glucan is time consuming, destructive, and laborious. In this study, near-infrared (NIR) spectroscopy in conjunction with Chemometrics was employed for rapid and non-destructive prediction of β-glucan content in oats. The interval Partial Least Square (iPLS) along with correlation matrix plots were employed to analyze the NIR spectrum from 700–1300 nm, 1300–1900 nm, and 1900–2500 nm for the selection of important wavelengths for the prediction of β-glucan. The NIR spectral data were pre-treated using Savitzky Golay smoothening and normalization before employing partial least square regression (PLSR) analysis. The PLSR models were established based on the selection of wavelengths from PLS loading plots that present a high correlation with β-glucan content. It was observed that wavelength region 700–1300 nm is sufficient for the satisfactory prediction of β-glucan of hulled and naked oats with R2c of 0.789 and 0.677, respectively, and RMSE < 0.229.


2021 ◽  
Vol 9 (3) ◽  
pp. 79-86
Author(s):  
Akeme Cyril Njume ◽  
Y. Aris Purwanto ◽  
Dewi Apri Astuti ◽  
Slamet Widodo

The objective of this study was to develop a prediction model to assess fresh beef spoilage directly with the use of a portable near-infrared spectroscopy (NIRS), without conducting a chemical method. Three fresh beef samples were bought from a slaughterhouse and traditional market on separate days. Spectra were acquired using a portable Scio spectrometer with wavelength 740-1070 nm, and two-third was used for calibration sets and one-third for validation sets. Partial least square regression and cross-validation were used to develop a model and equation for predicting beef spoilage. The changes observed were changed in color, water loss, and muscle hardness. The best predictive model was obtained from the original spectra (no pre-process) results as follows (R2C = 0.9, Rp = 0.86, SEC = 0.61, SEP = 0.69 and RPD = 3.53). Multiple Scattered Correlation (MSC) pre-processing method gave a good and acceptable model with results as follows; Rc = 0.89, SEC = 0.66, SEP = 0.83 and RPD = 2.91. NIRS showed variability of the samples and rate of spoilage, hence, can be used to assess quality and safety. Further studies are needed to develop a robust model to predict fresh beef spoilage using a portable NIRS Scio.


2021 ◽  
Author(s):  
Keon Young Park ◽  
Hunter O Hefti ◽  
Peng Liu ◽  
Karina M Lugo-Cintrón ◽  
Sheena C Kerr ◽  
...  

Abstract Renal cell carcinoma (RCC) is the third most common genitourinary cancer in the USA. Despite recent advances in the treatment for advanced and metastatic clear cell RCC (ccRCC), the 5-year relative survival rate for the distant disease remains at 12%. Cabozantinib, a tyrosine kinase inhibitor (TKI), which is one of the first-line therapies approved to treat advanced ccRCC as a single agent, is now being investigated as a combination therapy with newer immunotherapeutic agents. However, not much is known about how cabozantinib modulates the immune system. Here, we present a high throughput tri-culture model that incorporates cancer cells, endothelial cells, and patient-derived immune cells to study the effect of immune cells from patients with ccRCC on angiogenesis and cabozantinib resistance. We show that circulating immune cells from patients with ccRCC induce cabozantinib resistance via increased secretion of a set of pro-angiogenic factors. Using multivariate partial least square regression modeling, we identified CD4+ T cell subsets that are correlated with cabozantinib resistance and report the changes in the frequency of these populations in ccRCC patients who are undergoing cabozantinib therapy. These findings provide a potential set of biomarkers that should be further investigated in the current TKI-immunotherapy combination clinical trials to improve personalized treatments for patients with ccRCC.


2021 ◽  
Author(s):  
Mohamed Haniff Hanafy Idris ◽  
Muhamad Shirwan Abdullah Sani ◽  
Amalia Mohd Hashim ◽  
Nor Nadiha Mohd Zaki ◽  
Yanty Noorzianna Abdul Manaf ◽  
...  

Abstract This study authenticated fish feed sources and determined lard adulteration using dataset pre-processing, principal component analysis (PCA), discriminant analysis (DA) and partial least square regression (PLSR) on 19 triacylglycerols (TAGs) and 16 thermal properties (TPs). At cumulative variability (90.625%) and Keiser-Meyer Olkin (KMO) value (0.811), the PCA identified strong factor loading variables, i.e., OLL, PLL, OOL, POL, PPL, POO, PPO, PSO, ICT and FHT in PC1 and LLLn, OOO and CT2 in PC2. These variables were significantly (p < 0.05) contributing to lard-palm-oil (L-PO) clusters: (1) POO, PPO and PPL (high loading) and OLL, PLL, OOL, ICT, POL, PSO and FHT (low loading) in 0:100 and 25:75 L-PO clusters; (2) CT2, OOO and LLLn (high loading) in 50:50 L-PO cluster; and (3) OLL, PLL, OOL, ICT, POL, PSO and FHT (high loading) and POO, PPO and PPL (low loading) in 72:25 and 100:0 L-PO clusters. Training, validation and testing datasets had 100%, 84.44% and 100% correct-classification, respectively at p < 0.0001 of Wilks' lambda and p < 0.0001 Fisher distance. The DA selected PLL, OOL, POL, PPL, PSO, ICT and FHT as the significantly authenticating biomarkers (p < 0.05). With determination coefficient (R²) (0.9693), mean square error (MSE) (38.382) and root mean square error (RMSE) (6.195), the PLSR's variable importance in the projection (VIP) identified the most influential biomarkers, i.e., PPL, POL, PPO, OOL, ICT, PLL, FHT, POO and OLL. The Z-test result (p > 0.05) indicated that the PLSR could determine the lard adulteration percentage in fish feed.


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