scholarly journals E-Nose Discrimination of Abnormal Fermentations in Spanish-Style Green Olives

Molecules ◽  
2021 ◽  
Vol 26 (17) ◽  
pp. 5353
Author(s):  
Ramiro Sánchez ◽  
Elísabet Martín-Tornero ◽  
Jesús Lozano ◽  
Emanuele Boselli ◽  
Patricia Arroyo ◽  
...  
Keyword(s):  
Principal Component ◽  
Dilution Effect ◽  
Partial Least Square ◽  
Least Square ◽  
Control Treatment ◽  
Table Olives ◽  
Off Flavors ◽  
Sensory Dominance ◽  
Tasting Panel

Current legislation in Spain indicates that table olives must be free of off-odors and off-flavors and without symptoms of ongoing alteration or abnormal fermentations. In this regard, the International Olive Council (IOC) has developed a protocol for the sensory classification of table olives according to the intensity of the predominantly perceived defect (PPD). An electronic nose (e-nose) was used to assess the abnormal fermentation defects of Spanish-style table olives that were previously classified by a tasting panel according to the IOC protocol, namely zapateria, butyric, putrid, and musty or humidity. When olives with different defects were mixed, the putrid defect had the greatest sensory impact on the others, while the butyric defect had the least sensory dominance. A total of 49 volatile compounds were identified by gas chromatography, and each defect was characterized by a specific profile. The e-nose data were analyzed using principal component analysis (PCA) and partial least square discriminant analysis (PLS-DA). The different defects were clearly separated from each other and from the control treatment, independently of PPD intensity. Moreover, the e-nose differentiated control olives from table olives with combined sensory defects despite the dilution effect resulting from the combination. These results demonstrate that e-nose can be used as an olfactory sensor for the organoleptic classification of table olives and can successfully support the tasting panel.

scholarly journals Authentication of Greek PDO Kalamata Table Olives: A Novel Non-Target High Resolution Mass Spectrometric Approach

Molecules ◽  
2020 ◽  
Vol 25 (12) ◽  
pp. 2919
Author(s):  
Natasa P. Kalogiouri ◽  
Reza Aalizadeh ◽  
Marilena E. Dasenaki ◽  
Nikolaos S. Thomaidis
Keyword(s):  
High Performance ◽  
Model Development ◽  
Principal Component ◽  
Partial Least Square ◽  
Least Square ◽  
Table Olives ◽  
Method Performance ◽  
Validation Parameters ◽  
Targeted Screening ◽  
Mass Spectrometric Approach

Food science continually requires the development of novel analytical methods to prevent fraudulent actions and guarantee food authenticity. Greek table olives, one of the most emblematic and valuable Greek national products, are often subjected to economically motivated fraud. In this work, a novel ultra-high-performance liquid chromatography–quadrupole time of flight tandem mass spectrometry (UHPLC-QTOF-MS) analytical method was developed to detect the mislabeling of Greek PDO Kalamata table olives, and thereby establish their authenticity. A non-targeted screening workflow was applied, coupled to advanced chemometric techniques such as Principal Component Analysis (PCA) and Partial Least Square Discriminant Analysis (PLS-DA) in order to fingerprint and accurately discriminate PDO Greek Kalamata olives from Kalamata (or Kalamon) type olives from Egypt and Chile. The method performance was evaluated using a target set of phenolic compounds and several validation parameters were calculated. Overall, 65 table olive samples from Greece, Egypt, and Chile were analyzed and processed for the model development and its accuracy was validated. The robustness of the chemometric model was tested using 11 Greek Kalamon olive samples that were produced during the following crop year, 2018, and they were successfully classified as Greek Kalamon olives from Kalamata. Twenty-six characteristic authenticity markers were indicated to be responsible for the discrimination of Kalamon olives of different geographical origins.

scholarly journals Analysis of Adulterated Pangasius Hypopthalmus Oil by ATR-FTIR Spectroscopy and Chemometric

2019 ◽  
pp. 4
Author(s):  
Lisa Andina ◽  
Revita Saputri ◽  
Aristha Novyra Putri ◽  
Endang Lukitaningsih ◽  
Abdul Rohman
Keyword(s):  
Quantitative Analysis ◽  
Ftir Spectroscopy ◽  
Palm Oil ◽  
Coconut Oil ◽  
Principal Component ◽  
Partial Least Square ◽  
Least Square ◽  
First Derivative ◽  
Derivative Spectra

In this recent study, ATR-FTIR spectroscopy and chemometrics have been successfully used for theclassification and quantitative analysis of adulterated Pangasius Hypopthalmus (P. hypopthalmus) oil. The aimof this research was to evaluate the ability of ATR-FTIR spectroscopy and chemometric to perform theclassification and quantitative analysis of adulterated P. hypopthalmus oil in a binary mixture with palm oil(PO) and coconut oil (CO). In the development of FTIR spectroscopy combined with chemometrics for theclassification and quantitative analysis of P. hypopthalmus oil, P. hypopthalmus oil (MP and LFP) mixed withother oils such as coconut oil (CO) and palm oil (PO) at concentrations of 1-99% v/v. Classification of P.hypopthalmus oil, PO and CO were performed by the principal component analysis (PCA) and thequantification analysis was carried out by partial least square (PLS). Based on the optimization process, thebest classification results were obtained using the first derivative spectra at wave numbers of 1400-1100 cm-1.The prediction of percentage adulterated oil by PLS method also showed very good values of R2 greater than0.9999 and low standard error values in the range of 0.0176-0.703. The prediction was also perform at1400-1100 cm-1 wavenumbers using the first derivative spectra.

scholarly journals Deep Spectral-Spatial Features of Near Infrared Hyperspectral Images for Pixel-Wise Classification of Food Products

Sensors ◽  
2020 ◽  
Vol 20 (18) ◽  
pp. 5322
Author(s):  
Hongyan Zhu ◽  
Aoife Gowen ◽  
Hailin Feng ◽  
Keping Yu ◽  
Jun-Li Xu
Keyword(s):  
Near Infrared ◽  
Principal Component ◽  
Food Products ◽  
Partial Least Square ◽  
Least Square ◽  
Support Vector ◽  
White Stripe ◽  
Practical Applications ◽  
Spatial Features

Hyperspectral imaging (HSI) emerges as a non-destructive and rapid analytical tool for assessing food quality, safety, and authenticity. This work aims to investigate the potential of combining the spectral and spatial features of HSI data with the aid of deep learning approach for the pixel-wise classification of food products. We applied two strategies for extracting spatial-spectral features: (1) directly applying three-dimensional convolution neural network (3-D CNN) model; (2) first performing principal component analysis (PCA) and then developing 2-D CNN model from the first few PCs. These two methods were compared in terms of efficiency and accuracy, exemplified through two case studies, i.e., classification of four sweet products and differentiation between white stripe (“myocommata”) and red muscle (“myotome”) pixels on salmon fillets. Results showed that combining spectral-spatial features significantly enhanced the overall accuracy for sweet dataset, compared to partial least square discriminant analysis (PLSDA) and support vector machine (SVM). Results also demonstrated that spectral pre-processing techniques prior to CNN model development can enhance the classification performance. This work will open the door for more research in the area of practical applications in food industry.

scholarly journals Rapid Classification Of Agricultural Products Based On Their Electro-Optic Properties Using Near Infrared Reflectance And Chemometrics

2015 ◽  
Vol 8 (1) ◽  
pp. 10-18
Author(s):  
Agus A. Munawar
Keyword(s):  
Near Infrared ◽  
Scatter Correction ◽  
Principal Component ◽  
Partial Least Square ◽  
Least Square ◽  
Agricultural Products ◽  
Near Infrared Reflectance ◽  
Electro Optic ◽  
Non Destructive

Abstract. Near infrared technology have been widely applied in many fields, including agriculture especially in sorting and grading process. The advantage of this technology: simple sample preparation, rapid, effective and non-destructive. The main objective of this study is to evaluate the feasibility of NIR technology in classifying several agricultural products based on their electro-optic properties. NIR diffuse reflectance spectra of apples, bananas, mangoes, garlics, tomatoes, green grapes, red grapes and oranges were acquired in wavelength range of 1000-2500 nm with gradual increment of 2 nm. Chemometrics methods were applied in combination with NIR spectra data. Classification was performed by applying principal component analysis (PCA) followed by non-iterative partial least square (NIPALS) cross validation. The results showed that NIR and chemometrics was able to differentiate and classify these agricultural products with two latent variables (2 PCs) and total explained variance of 97% (88% PC1 and 9% PC2). Furthermore, it also showed that multiplicative scatter correction (MSC) was found to be effective spectra correction or enhancement method and increased classification accuracy and robustness. It may conclude that NIR technology combined with chemometrics was feasible to apply as a rapid and non-destructive method for sorting and grading agricultural products. Rapid Classification Of Agricultural Products Based On Their Electro-Optic Properties Using Near Infrared Reflectance And ChemometricsAbstract. Aplikasi teknologi near infra red (NIR) telah digunakan dalam banyak bidang, termasuk untuk bidang pertanian terutama pada proses sortasi dan grading. Keunggulan metode ini antara lain : rapid, efektif, simultan dan tanpa merusak objek yang dikaji. Tujuan utama dari studi ini adalah untuk mengkaji potensi NIR dalam mengklasifikasi beberapa produk pertanian berdasarkan karakteristik sifat elektro-optik dari produk tersebut. Spektrum NIR pada panjang gelombang 1000 – 2500 nm dengan increment 2 nm diakuisisi untuk produk pertanian : apel, pisang, manga, bawang putih, tomat, anggur hijau, anggur merah dan jeruk. Metode chemo metrics digunakan dalam studi ini untuk dikombinasikan dengan spektrum NIR. Klasifikasi produk pertanian dilakukan dengan menerapkan metode principal component analysis (PCA) yang disertai dengan metode non-iterative partial least square (NIPALS) cross validation. Hasil studi menunjukkan bahwa kombinasi NIR dan chemo metrics mampu membedakan dan mengklasifikasi produk pertanian tersebut dengan menggunakan dua latent variable pada PCA (2 PCs) dengan total explained variance 97% (88% PC1 dan 9% PC2). Selain itu, dari studi ini juga didapatkan bahwa perbaikan data spectrum dengan metode multiplicative scatter correction (MSC) sebelum klasifikasi mampu meningkatkan akurasi hasil klasifikasi. Secara umum, dapat disimpulkan bahwa teknologi NIR dan chemo metrics dapat dijadikan sebagai metode yang efektif untuk sortasi dan atau grading produk pertanian.

Development of a method based on chemometric analysis of Raman spectra for the discrimination of heterofermentative lactobacilli

2011 ◽  
Vol 78 (2) ◽  
pp. 233-241 ◽  
Author(s):  
Pablo Mobili ◽  
Cuauhtémoc Araujo-Andrade ◽  
Alejandra Londero ◽  
Claudio Frausto-Reyes ◽  
Rumen Ivanov Tzonchev ◽  
...  
Keyword(s):  
Principal Component Analysis ◽  
Principal Component ◽  
Partial Least Square ◽  
Least Square ◽  
Classification Rule ◽  
Culture Collections ◽  
Lactobacillus Kefir ◽  
Kefir Grains ◽  
Clear Differentiation

In this work, a method based on Raman spectroscopy in combination with Principal Component Analysis (PCA) and Partial Least Square-Discriminant Analysis (PLS-DA) has been developed for the rapid differentiation of heterofermentative related lactobacilli. In a first approach, Lactobacillus kefir strains were discriminated from other species of heterofermentative lactobacilli: Lb. parakefir and Lb. brevis. After this first approach, PCA allowed for a clear differentiation between Lb. parakefir and Lb.brevis. For the first level of discrimination, PCA was performed on the whole spectra and also on delimited regions, defined taking into consideration the loading values. The best regions allowing a clear differentiation between Lb. kefir and non-Lb. kefir strains were found to be: the 1700–1500 cm−1, 1500–1185 cm−1 and 1800–400 (whole spectrum) cm−1 Raman ranges. In order to develop a classification rule, PLS-DA was carried out on the mentioned regions. This method permitted the discrimination and classification of the strains under study in two groups: Lb. kefir and non-Lb. kefir. The model was further validated using lactobacilli strains from different culture collections or strains isolated from kefir grains previously identified using molecular methods. The second approach based on PCA was also performed on the whole spectra and on delimited regions, being the regions 1700–1500 cm−1, 1500–1185 cm−1 and 1185–1020 cm−1, i.e., those allowing the clearest discrimination between Lb. parakefir and Lb. brevis. The results obtained in this work, allowed a clear discrimination within heterofermentative lactobacilli strains, proteins being the biological structures most determinant for this discrimination.

Pemanfaatan CFSRv2 untuk Statistical Downscaling menggunakan Principal Component Regression dan Partial Least Square

2019 ◽  
Vol 8 (1) ◽  
Author(s):  
Khairunnisa Khairunnisa ◽  
Rizka Pitri ◽  
Victor P Butar-Butar ◽  
Agus M Soleh
Keyword(s):  
Statistical Downscaling ◽  
General Circulation ◽  
Principal Component Regression ◽  
Circulation Model ◽  
Principal Component ◽  
Meteorological Station ◽  
Grid Size ◽  
Partial Least Square ◽  
Least Square ◽  
Output Data

This research used CFSRv2 data as output data general circulation model. CFSRv2 involves some variables data with high correlation, so in this research is using principal component regression (PCR) and partial least square (PLS) to solve the multicollinearity occurring in CFSRv2 data. This research aims to determine the best model between PCR and PLS to estimate rainfall at Bandung geophysical station, Bogor climatology station, Citeko meteorological station, and Jatiwangi meteorological station by comparing RMSEP value and correlation value. Size used was 3×3, 4×4, 5×5, 6×6, 7×7, 8×8, 9×9, and 11×11 that was located between (-40) N - (-90) S and 1050 E -1100 E with a grid size of 0.5×0.5 The PLS model was the best model used in stastistical downscaling in this research than PCR model because of the PLS model obtained the lower RMSEP value and the higher correlation value. The best domain and RMSEP value for Bandung geophysical station, Bogor climatology station, Citeko meteorological station, and Jatiwangi meteorological station is 9 × 9 with 100.06, 6 × 6 with 194.3, 8 × 8 with 117.6, and 6 × 6 with 108.2, respectively.

scholarly journals A Novel Validated Injectable Colistimethate Sodium Analysis Combining Advanced Chemometrics and Design of Experiments

Molecules ◽  
2021 ◽  
Vol 26 (6) ◽  
pp. 1546
Author(s):  
Ioanna Dagla ◽  
Anthony Tsarbopoulos ◽  
Evagelos Gikas
Keyword(s):  
Design Of Experiments ◽  
High Performance ◽  
Similarity Index ◽  
Principal Component ◽  
Partial Least Square ◽  
Least Square ◽  
Partial Least Square Regression ◽  
Distance Measures ◽  
Linear Regression Models ◽  
Colistimethate Sodium

Colistimethate sodium (CMS) is widely administrated for the treatment of life-threatening infections caused by multidrug-resistant Gram-negative bacteria. Until now, the quality control of CMS formulations has been based on microbiological assays. Herein, an ultra-high-performance liquid chromatography coupled to ultraviolet detector methodology was developed for the quantitation of CMS in injectable formulations. The design of experiments was performed for the optimization of the chromatographic parameters. The chromatographic separation was achieved using a Waters Acquity BEH C8 column employing gradient elution with a mobile phase consisting of (A) 0.001 M aq. ammonium formate and (B) methanol/acetonitrile 79/21 (v/v). CMS compounds were detected at 214 nm. In all, 23 univariate linear-regression models were constructed to measure CMS compounds separately, and one partial least-square regression (PLSr) model constructed to assess the total CMS amount in formulations. The method was validated over the range 100–220 μg mL−1. The developed methodology was employed to analyze several batches of CMS injectable formulations that were also compared against a reference batch employing a Principal Component Analysis, similarity and distance measures, heatmaps and the structural similarity index. The methodology was based on freely available software in order to be readily available for the pharmaceutical industry.

scholarly journals The inflammatory profile of cerebrospinal fluid, plasma, and saliva from patients with severe neuropathic pain and healthy controls-a pilot study

2021 ◽  
Vol 22 (1) ◽  
Author(s):  
Mika Jönsson ◽  
Björn Gerdle ◽  
Bijar Ghafouri ◽  
Emmanuel Bäckryd
Keyword(s):  
Cerebrospinal Fluid ◽  
Neuropathic Pain ◽  
Pain Intensity ◽  
Principal Component ◽  
Partial Least Square ◽  
Least Square ◽  
Partial Least Square Regression ◽  
Therapeutic Interventions ◽  
Healthy Controls ◽  
Inflammatory Profile

Abstract Background Neuropathic pain (NeuP) is a complex, debilitating condition of the somatosensory system, where dysregulation between pro- and anti-inflammatory cytokines and chemokines are believed to play a pivotal role. As of date, there is no ubiquitously accepted diagnostic test for NeuP and current therapeutic interventions are lacking in efficacy. The aim of this study was to investigate the ability of three biofluids - saliva, plasma, and cerebrospinal fluid (CSF), to discriminate an inflammatory profile at a central, systemic, and peripheral level in NeuP patients compared to healthy controls. Methods The concentrations of 71 cytokines, chemokines and growth factors in saliva, plasma, and CSF samples from 13 patients with peripheral NeuP and 13 healthy controls were analyzed using a multiplex-immunoassay based on an electrochemiluminescent detection method. The NeuP patients were recruited from a clinical trial of intrathecal bolus injection of ziconotide (ClinicalTrials.gov identifier NCT01373983). Multivariate data analysis (principal component analysis and orthogonal partial least square regression) was used to identify proteins significant for group discrimination and protein correlation to pain intensity. Proteins with variable influence of projection (VIP) value higher than 1 (combined with the jack-knifed confidence intervals in the coefficients plot not including zero) were considered significant. Results We found 17 cytokines/chemokines that were significantly up- or down-regulated in NeuP patients compared to healthy controls. Of these 17 proteins, 8 were from saliva, 7 from plasma, and 2 from CSF samples. The correlation analysis showed that the most important proteins that correlated to pain intensity were found in plasma (VIP > 1). Conclusions Investigation of the inflammatory profile of NeuP showed that most of the significant proteins for group separation were found in the less invasive biofluids of saliva and plasma. Within the NeuP patient group it was also seen that proteins in plasma had the highest correlation to pain intensity. These preliminary results indicate a potential for further biomarker research in the more easily accessible biofluids of saliva and plasma for chronic peripheral neuropathic pain where a combination of YKL-40 and MIP-1α in saliva might be of special interest for future studies that also include other non-neuropathic pain states.

scholarly journals A fast and low-cost approach to quality control of alcohol-based hand sanitizer using portable near infrared spectrometer and chemometrics

2021 ◽  
pp. 096703352098731
Author(s):  
Adenilton C da Silva ◽  
Lívia PD Ribeiro ◽  
Ruth MB Vidal ◽  
Wladiana O Matos ◽  
Gisele S Lopes
Keyword(s):  
Quality Control ◽  
Discriminant Analysis ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Principal Component ◽  
Partial Least Square ◽  
Least Square ◽  
Chemical Components ◽  
Linear Discriminant ◽  
Hand Sanitizer

The use of alcohol-based hand sanitizers is recommended as one of several strategies to minimize contamination and spread of the COVID-19 disease. Current reports suggest that the virucidal potential of ethanol occurs at concentrations close to 70%. Traditional methods of verifying the ethanol concentration in such products invite potential errors due to the viscosity of chemical components or may be prohibitively expensive to undertake in large demand. Near infrared (NIR) spectroscopy and chemometrics have already been used for the determination of ethanol in other matrices and present an alternative fast and reliable approach to quality control of alcohol-based hand sanitizers. In this study, a portable NIR spectrometer combined with classification chemometric tools, i.e., partial least square discriminant analysis (PLS–DA) and linear discriminant analysis with successive algorithm projection (SPA–LDA) were used to construct models to identify conforming and non-conforming commercial and laboratory synthesized hand sanitizer samples. Principal component analysis (PCA) was applied in an exploratory data study. Three principal components accounted for 99% of data variance and demonstrate clustering of conforming and non-conforming samples. The PLS–DA and SPA–LDA classification models presented 77 and 100% of accuracy in cross/internal validation respectively and 100% of accuracy in the classification of test samples. A total of 43% commercial samples evaluated using the PLS–DA and SPA–LDA presented ethanol content non-conforming for hand sanitizer gel. These results indicate that use of NIR spectroscopy and chemometrics is a promising strategy, yielding a method that is fast, portable, and reliable for discrimination of alcohol-based hand sanitizers with respect to conforming and non-conforming ethanol concentrations.

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