Two-dimensional mid and near infrared correlation spectroscopy for bacterial identification

2020 ◽  
pp. 096703352097451
Author(s):  
Pavel Krepelka ◽  
Araceli Bolívar ◽  
Fernando Pérez-Rodríguez
Keyword(s):  
Biological Samples ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Correlation Spectroscopy ◽  
Strain Identification ◽  
Correct Classification ◽  
Bacterial Strains ◽  
Correct Classification Rate ◽  
Classification Rate ◽  
Concentration Changes

In recent years, near infrared (NIR) spectroscopy has gained interest as a tool for bacteria strain identification. Although some promising results suggest good applicability of the technique, a better interpretation of the NIR bacterial spectra is still needed. In order to analyze the NIR spectrum of biological samples, a correlation analysis between the NIR and the mid-infrared (mid-IR) spectra was performed. In total, 28 spectra of 8 bacterial strains were acquired and correlated in the NIR and the mid-IR spectral ranges. Some molecular bands (Amide I, P = O stretching, C-H stretching/deformation of polysaccharides) were well correlated, and the effect of concentration changes in these molecules were investigated. Moreover, a model for the NIR spectra classification was created with an overall 85% correct classification rate. Subsequently, only NIR wavelengths with high correlation to important mid-IR peaks were selected. This led to an increase in the correct classification rate to 94%. By correlation between well-established mid-IR peaks and NIR spectra, some relationships in the NIR spectra of biological samples were revealed, which was a step towards better understanding and interpretation of the NIR spectra of biological samples.

scholarly journals Identification and Quantification of Turmeric Adulteration in Egg-Pasta by Near Infrared Spectroscopy and Chemometrics

2020 ◽  
Vol 10 (8) ◽  
pp. 2647 ◽  
Author(s):  
Alessandra Biancolillo ◽  
Angela Santoro ◽  
Patrizia Firmani ◽  
Federico Marini
Keyword(s):  
Analytical Approach ◽  
Near Infrared ◽  
External Validation ◽  
Nir Spectroscopy ◽  
Classification Model ◽  
Correct Classification ◽  
Correct Classification Rate ◽  
Classification Rate ◽  
Yellow Color ◽  
Egg Pasta

“Egg pasta” is a kind of pasta prepared by adding eggs in the dough; the color of this product is often associated to its quality, as it is proportional to the quantity of egg present in the dough. A possible adulteration on this product is represented by the addition of turmeric (not reported in the label) in the dough. The inclusion of this ingredient (which is minimal, given the strong coloring power of this spice) fraudulently accentuates the yellow color of the product, making it more attractive to the consumer. Given this scenario, the aim of the present work is to develop an analytical approach suitable at detecting the presence of turmeric as an adulterant in egg pasta. One hundred samples of traditional and adulterated egg pasta were analyzed by NIR spectroscopy and PLS-DA (Partial Least Squares Discriminant Analysis) in order to discriminate adulterated and compliant pasta. The classification model provided a total correct classification rate of 97.5% in external validation (40 samples). Eventually, the adulterant was quantified by PLS. This strategy provided satisfying results, achieving a RMSEP (Root Mean Square Error in Prediction) of 0.112 (%-w/w) in external validation.

scholarly journals Near infrared spectroscopy in the supply chain monitoring of Annurca apple

2019 ◽  
Vol 27 (1) ◽  
pp. 86-92 ◽  
Author(s):  
Marina Buccheri ◽  
Maurizio Grassi ◽  
Fabio Lovati ◽  
Milena Petriccione ◽  
Pietro Rega ◽  
...  
Keyword(s):  
Supply Chain ◽  
Infrared Spectroscopy ◽  
Shelf Life ◽  
Near Infrared Spectroscopy ◽  
Near Infrared ◽  
Correct Classification ◽  
Geographical Indication ◽  
Correct Classification Rate ◽  
Classification Rate ◽  
Campania Region

Annurca is the most cultivated apple variety in the Campania region (Italy). It is an Italian protected geographical indication product and its management must follow a strict product specification which requires a typical postharvest treatment: the fruit must be subjected to a reddening process in air (‘melaio’) that improves the red colour and the flavour of the fruit but is very expensive and time consuming. For this reason there is sometimes a tendency to skip the ‘melaio’ process, but in this case the fruit cannot be labelled as ‘Melannurca Campana PGI’. The purpose of this work was to discriminate ‘melaio’ treated fruit from untreated fruit using near infrared spectroscopy. A further objective of the work was the non-destructive evaluation of the apple storage conditions which can affect the product quality. Fruit of Annurca ‘Rossa del Sud’ subjected or not subjected to the reddening treatment in ‘melaio’ were stored at 0.5℃ in air (Air) or in controlled atmosphere (1%O2, 0.7% CO2) for eight-month duration. Following storage, fruit were analysed for standard maturity indices (flesh firmness, soluble solids, acidity) and the near infrared spectrum of each fruit was collected. The spectral data, subjected to various pre-treatments, were used to calculate a calibration model by applying partial least squares-discriminant analysis. The best model allowed discrimination of fruit immediately after storage under different conditions, but with 0 days of shelf life, to be classified with a 93.3% correct classification rate for the prediction set. However, after seven days of shelf life at 20℃, post-storage, correct classification rate dropped to 70%, but it was always possible to discriminate the two treatments (96.6% correct classification rate). The results of this preliminary work suggest a possible use of the portable near infrared instrument in the monitoring of the Annurca (protected geographical indication) supply chain.

Commercial Wheatflour Authentication by Discriminant Analysis of near Infrared Reflectance Spectra

1993 ◽  
Vol 1 (4) ◽  
pp. 187-197 ◽  
Author(s):  
A. Sirieix ◽  
G. Downey
Keyword(s):  
Infrared Spectroscopy ◽  
Discriminant Analysis ◽  
Near Infrared ◽  
Correct Classification ◽  
Infrared Reflectance ◽  
Correct Classification Rate ◽  
Near Infrared Reflectance ◽  
Classification Rate ◽  
Discriminant Model ◽  
Flour Milling

This paper reports an application of qualitative analysis in the flour milling industry based on near infrared spectroscopy and a factorial discriminant procedure. Samples of different commercial flour types were collected from a number of mills and a discriminant model developed; evaluation of this model on a different set of 99 samples produced a correct classification rate of 97%.

scholarly journals The Use of Artificial Neural Networks and a General Discriminant Analysis for Predicting Culling Reasons in Holstein-Friesian Cows Based on First-Lactation Performance Records

Animals ◽  
2021 ◽  
Vol 11 (3) ◽  
pp. 721
Author(s):  
Krzysztof Adamczyk ◽  
Wilhelm Grzesiak ◽  
Daniel Zaborski
Keyword(s):  
Neural Networks ◽  
Artificial Neural Networks ◽  
Discriminant Analysis ◽  
Multilayer Perceptrons ◽  
Correct Classification ◽  
Correct Classification Rate ◽  
Classification Rate ◽  
Holstein Friesian ◽  
Artificial Neural ◽  
Friesian Cows

The aim of the present study was to verify whether artificial neural networks (ANN) may be an effective tool for predicting the culling reasons in cows based on routinely collected first-lactation records. Data on Holstein-Friesian cows culled in Poland between 2017 and 2018 were used in the present study. A general discriminant analysis (GDA) was applied as a reference method for ANN. Considering all predictive performance measures, ANN were the most effective in predicting the culling of cows due to old age (99.76–99.88% of correctly classified cases). In addition, a very high correct classification rate (99.24–99.98%) was obtained for culling the animals due to reproductive problems. It is significant because infertility is one of the conditions that are the most difficult to eliminate in dairy herds. The correct classification rate for individual culling reasons obtained with GDA (0.00–97.63%) was, in general, lower than that for multilayer perceptrons (MLP). The obtained results indicated that, in order to effectively predict the previously mentioned culling reasons, the following first-lactation parameters should be used: calving age, calving difficulty, and the characteristics of the lactation curve based on Wood’s model parameters.

scholarly journals Fatty Acid Composition of Cosmetic Argan Oil: Provenience and Authenticity Criteria

Molecules ◽  
2020 ◽  
Vol 25 (18) ◽  
pp. 4080
Author(s):  
Milena Bučar Miklavčič ◽  
Fouad Taous ◽  
Vasilij Valenčič ◽  
Tibari Elghali ◽  
Maja Podgornik ◽  
...  
Keyword(s):  
Fatty Acids ◽  
Fatty Acid ◽  
Discriminant Analysis ◽  
Trans Fatty Acids ◽  
Correct Classification ◽  
Fatty Acid Profiles ◽  
Correct Classification Rate ◽  
Classification Rate ◽  
Argan Oil ◽  
Geographical Regions

In this work, fatty-acid profiles, including trans fatty acids, in combination with chemometric tools, were applied as a determinant of purity (i.e., adulteration) and provenance (i.e., geographical origin) of cosmetic grade argan oil collected from different regions of Morocco in 2017. The fatty acid profiles obtained by gas chromatography (GC) showed that oleic acid (C18:1) is the most abundant fatty acid, followed by linoleic acid (C18:2) and palmitic acid (C16:0). The content of trans-oleic and trans-linoleic isomers was between 0.02% and 0.03%, while trans-linolenic isomers were between 0.06% and 0.09%. Discriminant analysis (DA) and orthogonal projection to latent structure—discriminant analysis (OPLS-DA) were performed to discriminate between argan oils from Essaouira, Taroudant, Tiznit, Chtouka-Aït Baha and Sidi Ifni. The correct classification rate was highest for argan oil from the Chtouka-Aït Baha province (90.0%) and the lowest for oils from the Sidi Ifni province (14.3%), with an overall correct classification rate of 51.6%. Pairwise comparison using OPLS-DA could predictably differentiate (≥0.92) between the geographical regions with the levels of stearic (C18:0) and arachidic (C20:0) fatty acids accounting for most of the variance. This study shows the feasibility of implementing authenticity criteria for argan oils by including limit values for trans-fatty acids and the ability to discern provenance using fatty acid profiling.

Visible/Near infrared (VIS/NIR) spectroscopy and multivariate data analysis (MVDA) for identification and quantification of olive leaf spot (OLS) disease

2014 ◽  
Vol 2 (1) ◽  
pp. 1-9
Author(s):  
Nawaf Abu-Khalaf ◽  
Mazen Salman
Keyword(s):  
Leaf Spot ◽  
Near Infrared ◽  
Latent Infection ◽  
Linear Method ◽  
Nir Spectroscopy ◽  
Support Vector ◽  
Olive Leaf ◽  
Classification Rate ◽  
Infection Period ◽  
Linear Svm

Early detection of plant disease requires usually elaborating methods techniques and especially when symptoms are not visible. Olive Leaf Spot (OLS) infecting upper surface of olive leaves has a long latent infection period. In this work, VIS/NIR spectroscopy was used to determine the latent infection and severity of the pathogens. Two different classification methods were used, Partial Least Squared-Discrimination Analysis (PLS-DA) (linear method) and Support Vector Machine (SVM) (non-linear). SVM-classification was able to classify severity levels 0, 1, 2, 3, 4, and 5 with classification rates of 94, 90, 73, 79, 83 and 100%, respectively The overall classification rate was about 86%. PLS-DA was able to classify two different severity groups (first group with severity 0, 1, 2, 3, and second group with severity 4, 5), with a classification rate greater than 95%. The results promote further researches, and the possibility of evaluation OLS in-situ using portable VIS/NIR devices.

Visible/Near infrared (VIS/NIR) spectroscopy and multivariate data analysis (MVDA) for identification and quantification of olive leaf spot (OLS) disease

2014 ◽  
Vol 2 (1) ◽  
pp. 1-9
Author(s):  
Nawaf Abu-Khalaf ◽  
Mazen Salman
Keyword(s):  
Leaf Spot ◽  
Near Infrared ◽  
Latent Infection ◽  
Linear Method ◽  
Nir Spectroscopy ◽  
Support Vector ◽  
Olive Leaf ◽  
Classification Rate ◽  
Infection Period ◽  
Linear Svm

Early detection of plant disease requires usually elaborating methods techniques and especially when symptoms are not visible. Olive Leaf Spot (OLS) infecting upper surface of olive leaves has a long latent infection period. In this work, VIS/NIR spectroscopy was used to determine the latent infection and severity of the pathogens. Two different classification methods were used, Partial Least Squared-Discrimination Analysis (PLS-DA) (linear method) and Support Vector Machine (SVM) (non-linear). SVM-classification was able to classify severity levels 0, 1, 2, 3, 4, and 5 with classification rates of 94, 90, 73, 79, 83 and 100%, respectively The overall classification rate was about 86%. PLS-DA was able to classify two different severity groups (first group with severity 0, 1, 2, 3, and second group with severity 4, 5), with a classification rate greater than 95%. The results promote further researches, and the possibility of evaluation OLS in-situ using portable VIS/NIR devices.

Alzheimer's Disease Classification Based on Multi-feature Fusion

2019 ◽  
Vol 15 (2) ◽  
pp. 161-169 ◽  
Author(s):  
Nuwan Madusanka ◽  
Heung-Kook Choi ◽  
Jae-Hong So ◽  
Boo-Kyeong Choi
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Feature Fusion ◽  
Biological Data ◽  
Correct Classification ◽  
Mr Images ◽  
Correct Classification Rate ◽  
Classification Rate ◽  
Morphometric Features

Background: In this study, we investigated the fusion of texture and morphometric features as a possible diagnostic biomarker for Alzheimer’s Disease (AD). Methods: In particular, we classified subjects with Alzheimer’s disease, Mild Cognitive Impairment (MCI) and Normal Control (NC) based on texture and morphometric features. Currently, neuropsychiatric categorization provides the ground truth for AD and MCI diagnosis. This can then be supported by biological data such as the results of imaging studies. Cerebral atrophy has been shown to correlate strongly with cognitive symptoms. Hence, Magnetic Resonance (MR) images of the brain are important resources for AD diagnosis. In the proposed method, we used three different types of features identified from structural MR images: Gabor, hippocampus morphometric, and Two Dimensional (2D) and Three Dimensional (3D) Gray Level Co-occurrence Matrix (GLCM). The experimental results, obtained using a 5-fold cross-validated Support Vector Machine (SVM) with 2DGLCM and 3DGLCM multi-feature fusion approaches, indicate that we achieved 81.05% ±1.34, 86.61% ±1.25 correct classification rate with 95% Confidence Interval (CI) falls between (80.75-81.35) and (86.33-86.89) respectively, 83.33%±2.15, 84.21%±1.42 sensitivity and 80.95%±1.52, 85.00%±1.24 specificity in our classification of AD against NC subjects, thus outperforming recent works found in the literature. For the classification of MCI against AD, the SVM achieved a 76.31% ± 2.18, 78.95% ±2.26 correct classification rate, 75.00% ±1.34, 76.19%±1.84 sensitivity and 77.78% ±1.14, 82.35% ±1.34 specificity. Results and Conclusion: The results of the third experiment, with MCI against NC, also showed that the multiclass SVM provided highly accurate classification results. These findings suggest that this approach is efficient and may be a promising strategy for obtaining better AD, MCI and NC classification performance.

scholarly journals Detection of Malignancy Associated Changes in Cervical Cell Nuclei Using Feed-Forward Neural Networks

1997 ◽  
Vol 14 (1) ◽  
pp. 31-40 ◽  
Author(s):  
Roger A. Kemp ◽  
Calum MacAulay ◽  
David Garner ◽  
Branko Palcic
Keyword(s):  
Neural Networks ◽  
Discriminant Function ◽  
Severe Dysplasia ◽  
Correct Classification ◽  
Correct Classification Rate ◽  
Classification Rate ◽  
Normal Cells ◽  
Feed Forward ◽  
Linear Discriminant ◽  
Feed Forward Neural Networks

Normal cells in the presence of a precancerous lesion undergo subtle changes of their DNA distribution when observed by visible microscopy. These changes have been termed Malignancy Associated Changes (MACs). Using statistical models such as neural networks and discriminant functions it is possible to design classifiers that can separate these objects from truly normal cells. The correct classification rate using feed‐forward neural networks is compared to linear discriminant analysis when applied to detecting MACs. Classifiers were designed using 53 nuclear features calculated from images for each of 25,360 normal appearing cells taken from 344 slides diagnosed as normal or containing severe dysplasia. A linear discriminant function achieved a correct classification rate of 61.6% on the test data while neural networks scored as high as 72.5% on a cell‐by‐cell basis. The cell classifiers were applied to a library of 93,494 cells from 395 slides, and the results were jackknifed using a single slide feature. The discriminant function achieved a correct classification rate of 67.6% while the neural networks managed as high as 76.2%.

Application of near-infrared spectroscopy for the detection of internal insect infestation inPiceaabiesseed lots

2004 ◽  
Vol 34 (1) ◽  
pp. 76-84 ◽  
Author(s):  
Mulualem Tigabu ◽  
Per Christer Odén ◽  
Tong Yun Shen
Keyword(s):  
Near Infrared ◽  
Nir Spectroscopy ◽  
Least Squares Regression ◽  
Absorption Bands ◽  
Classification Rate ◽  
Data Set ◽  
Storage Lipids ◽  
Nir Absorption ◽  
Seed Origin ◽  
Single Seeds

The use of near-infrared (NIR) spectroscopy to discriminate between uninfested seeds of Picea abies (L.) Karst and seeds infested with Plemeliella abietina Seitn (Hymenoptera, Torymidae) larva is sensitive to seed origin and year of collection. Five seed lots collected during different years from Sweden, Finland, and Belarus were used in this study. Initially, seeds were classified as infested or uninfested with X-radiography, and then, NIR spectra from single seeds were collected with a NIR spectrometer from 1100 to 2498 nm with a resolution of 2 nm. Discriminant models were derived by partial least squares regression using raw and orthogonal signal corrected spectra (OSC). The resulting OSC model developed on a pooled data set was more robust than the raw model and resulted in 100% classification accuracy. Once irrelevant spectral variations were removed by using OSC pretreatment, single-lot calibration models resulted in similar classification rates for the new samples irrespective of origin and year of collection. Dis criminant analyses performed with selected NIR absorption bands also gave nearly 100% classification rate for new samples. The origin of spectral differences between infested and uninfested seeds was attributed to storage lipids and proteins that were completely depleted in the former by the feeding larva.

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