FT-NIR spectroscopy in predicting the decay resistance related characteristics of solid Scots pine (Pinus sylvestris L.) heartwood

Holzforschung ◽  
2008 ◽  
Vol 62 (3) ◽  
Author(s):  
Asta Leinonen ◽  
Anni M. Harju ◽  
Martti Venäläinen ◽  
Pekka Saranpää ◽  
Tapio Laakso
Keyword(s):  
Mass Loss ◽  
Scots Pine ◽  
Prediction Models ◽  
Nir Spectroscopy ◽  
Decay Resistance ◽  
Partial Least Square ◽  
Resin Acids ◽  
Least Square ◽  
Wide Range ◽  
Heartwood Extractives

AbstractFT-NIR spectroscopy equipped with a fiber optic probe was used to predict the mass loss caused by a brown-rot fungus (Coniophora puteana)in Scots pine heartwood. Because decay tests are impractical for generating reference data for the calibration of prediction models, the possibilities of using the concentration of heartwood extractives as a reference variable instead of mass loss was studied. The material investigated covered a wide range of natural variation in durability and diffuse reflectance infrared Fourier transform spectra were recorded from the cross section of 41 pines. The partial least square (PLS) regression models were found to be satisfactory for prediction of the mass loss and the concentration of extractives (total phenolics, resin acids, pinosylvin and pinosylvin monomethyl ether). It was concluded that FT-NIR spectroscopy has the potential to become a tool for the decay resistance grading of Scots pine heartwood timber, especially if the prediction models will be based on heartwood extractives.

scholarly journals Evaluation of Minimum Preparation Sampling Strategies for Sugarcane Quality Prediction by vis-NIR Spectroscopy

Sensors ◽  
2021 ◽  
Vol 21 (6) ◽  
pp. 2195
Author(s):  
Lucas de Paula Corrêdo ◽  
Leonardo Felipe Maldaner ◽  
Helizani Couto Bazame ◽  
José Paulo Molin
Keyword(s):  
Sample Preparation ◽  
Prediction Models ◽  
Spectral Response ◽  
Nir Spectroscopy ◽  
Quality Parameters ◽  
Partial Least Square ◽  
Least Square ◽  
Sample Type ◽  
Sampling Strategies ◽  
Significant Difference

Proximal sensing for assessing sugarcane quality information during harvest can be affected by various factors, including the type of sample preparation. The objective of this study was to determine the best sugarcane sample type and analyze the spectral response for the prediction of quality parameters of sugarcane from visible and near-infrared (vis-NIR) spectroscopy. The sampling and spectral data acquisition were performed during the analysis of samples by conventional methods in a sugar mill laboratory. Samples of billets were collected and four modes of scanning and sample preparation were evaluated: outer-surface (‘skin’) (SS), cross-sectional scanning (CSS), defibrated cane (DF), and raw juice (RJ) to analyze the parameters soluble solids content (Brix), saccharose (Pol), fibre, pol of cane and total recoverable sugars (TRS). Predictive models based on Partial Least Square Regression (PLSR) were built with the vis-NIR spectral measurements. There was no significant difference (p-value > 0.05) between the accuracy SS and CSS samples compared to DF and RJ samples for all prediction models. However, DF samples presented the best predictive performance values for the main sugarcane quality parameters, and required only minimal sample preparation. The results contribute to advancing the development of on-board quality monitoring in sugarcane, indicating better sampling strategies.

Classification of Automobile Lubricant by Near-Infrared Spectroscopy Combined with Machine Classification

2011 ◽  
Vol 460-461 ◽  
pp. 667-672
Author(s):  
Yun Zhao ◽  
Xing Xu ◽  
Yong He
Keyword(s):  
Near Infrared ◽  
Prediction Models ◽  
Nir Spectroscopy ◽  
Partial Least Square ◽  
Least Square ◽  
Support Vector ◽  
Training Set ◽  
Test Set ◽  
Svm Model

The main objective of this paper is to classify four kinds of automobile lubricant by near-infrared (NIR) spectral technology and to observe whether NIR spectroscopy could be used for predicting water content. Principle component analysis (PCA) was applied to reduce the information from the spectral data and first two PCs were used to cluster the samples. Partial least square (PLS), least square support vector machine (LS-SVM), and Gaussian processes classification (GPC) were employed to develop prediction models. There were 120 samples for training set and test set. Two LS-SVM models with first five PCs and first six PCs were built, respectively, and accuracy of the model with five PCs is adequate with less calculation. The results from the experiment indicate that the LS-SVM model outperforms the PLS model and GPC model outperforms the LS-SVM model.

scholarly journals   Near infrared spectroscopy for deoxynivalenol content estimation in intact wheat grain

2012 ◽  
Vol 58 (No. 4) ◽  
pp. 196-203 ◽  
Author(s):  
V. Dvořáček ◽  
A. Prohasková ◽  
J. Chrpová ◽  
L. Štočková
Keyword(s):  
Near Infrared ◽  
Rapid Determination ◽  
Nir Spectroscopy ◽  
Resistance Breeding ◽  
Partial Least Square ◽  
Least Square ◽  
Prediction Errors ◽  
Wheat Grain ◽  
Wide Range

Non-invasive determination of deoxynivalenol (DON) still presents a challenging problem. Therefore, the present study was aimed at a rapid determination of DON in whole wheat grain by means of FT-NIR spectroscopy, with a wide range of concentrations for potential applications in breeding programs and common systems of quality management using partial least square calibration (PLS) and discriminant analysis technique (DA). Using a set of artificially infected wheat samples with a known content of DON, four PLS models with different concentration range were created. The broadest model predicting DON in the concentration range of 0&ndash;90 mg/kg possessed the highest correlation coefficients of calibration and cross validation (0.94 and 0.88); but also possessed the highest prediction errors (SEP = 6.23 mg/kg). Thus the subsequent combination of DA as the wide range predictive model and the low-range PLS model was used. This technique gave more precise results in the samples with lower DON concentrations &ndash; below 30 mg/kg (SEP = 2.35 mg/kg), when compared to the most wide-range PLS model (SEP = 5.95 mg/kg).<br />Such technique enables to estimate DON content in collections of artificially infected wheat plants in Fusarium resistance breeding experiments. &nbsp;

scholarly journals Histamine Control in Raw and Processed Tuna: A Rapid Tool Based on NIR Spectroscopy

Foods ◽  
2021 ◽  
Vol 10 (4) ◽  
pp. 885
Author(s):  
Sergio Ghidini ◽  
Luca Maria Chiesa ◽  
Sara Panseri ◽  
Maria Olga Varrà ◽  
Adriana Ianieri ◽  
...  
Keyword(s):  
Root Mean Square ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Partial Least Square ◽  
Least Square ◽  
Partial Least Square Regression ◽  
Coefficient Of Determination ◽  
Mean Square ◽  
Tuna Fish ◽  
Mean Square Errors

The present study was designed to investigate whether near infrared (NIR) spectroscopy with minimal sample processing could be a suitable technique to rapidly measure histamine levels in raw and processed tuna fish. Calibration models based on orthogonal partial least square regression (OPLSR) were built to predict histamine in the range 10–1000 mg kg−1 using the 1000–2500 nm NIR spectra of artificially-contaminated fish. The two models were then validated using a new set of naturally contaminated samples in which histamine content was determined by conventional high-performance liquid chromatography (HPLC) analysis. As for calibration results, coefficient of determination (r2) > 0.98, root mean square of estimation (RMSEE) ≤ 5 mg kg−1 and root mean square of cross-validation (RMSECV) ≤ 6 mg kg−1 were achieved. Both models were optimal also in the validation stage, showing r2 values > 0.97, root mean square errors of prediction (RMSEP) ≤ 10 mg kg−1 and relative range error (RER) ≥ 25, with better results showed by the model for processed fish. The promising results achieved suggest NIR spectroscopy as an implemental analytical solution in fish industries and markets to effectively determine histamine amounts.

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.

Exploring the Vis-NIR wavelength importance in SOC models under field and lab conditions in a long-term field experiment

2021 ◽  
Author(s):  
Javier Reyes ◽  
Mareike Ließ
Keyword(s):  
Field Experiment ◽  
Spectral Response ◽  
Nir Spectroscopy ◽  
Partial Least Square ◽  
Least Square ◽  
Field Conditions ◽  
Partial Least Square Regression ◽  
Preprocessing Technique ◽  
Term Field

&lt;p&gt;Soil organic carbon (SOC) is of particular interest in the study of agricultural systems as an indicator of soil quality and soil fertility. In the use of Vis-NIR spectroscopy for SOC detection, the interpretation of the spectral response with regards to the importance of individual wavelengths is challenging due to the soil&amp;#8217;s composition of multiple organic and minerals compounds. Under field conditions, additional aspects affect the spectral data compared to lab conditions. This study compared the spectral wavelength importance in partial least square regression (PLSR) models for SOC between field and lab conditions. Surface soil samples were obtained from a long-term field experiment (LTE) with high SOC variability located in the state of Saxony-Anhalt, Germany. Data sets of Vis-NIR spectra were acquired in the lab and field using two spectrometers, respectively. Four different preprocessing methods were applied before building the models. Wavelength importance was observed using variable importance in projection. Differences in wavelength importance were observed depending on the measurement device, measurement condition, and preprocessing technique, although pattern matches were identifiable, especially in the NIR range. It is these pattern matches that aid model interpretation to effectively determine SOC under field conditions.&lt;/p&gt;

Prediction of Stilbene Content from Heartwood Increment Cores of Scots Pine Using near Infrared Spectroscopy Methodology

2016 ◽  
Vol 24 (6) ◽  
pp. 517-528 ◽  
Author(s):  
Susanna Pulkka ◽  
Vincent Segura ◽  
Anni Harju ◽  
Tarja Tapanila ◽  
Johanna Tanner ◽  
...  
Keyword(s):  
Scots Pine ◽  
High Throughput ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Tree Breeding ◽  
Decay Resistance ◽  
Increment Core ◽  
Automatic Selection ◽  
Non Destructive ◽  
Selection Of

High-throughput and non-destructive methods for quantifying the content of the stilbene compounds of Scots pine ( Pinus sylvestris L.) heartwood are needed in the breeding for decay resistance of heartwood timber. In this study, near infrared (NIR) spectroscopy calibrations were developed for a large collection of solid heartwood increment core samples in order to predict the amount of the stilbene pinosylvin (PS), its monomethyl ether (PSM) and their sum (STB). The resulting models presented quite accurate predictions in an independent validation set with R2V values ranging between 0.79 and 0.91. The accuracy of the models strongly depended on the chemical being calibrated, with the lowest accuracy for PS, intermediate accuracy for PSM and highest accuracy for STB. The effect of collecting one, two or more (up to five) spectra per sample on the calibration models was studied and it was found that averaging multiple spectra yielded better accuracy as it may account for the heterogeneity of wood along the increment core within and between rings. Several statistical pretreatments of the spectra were tested and an automatic selection of wavenumbers prior to calibration. Without the automatic selection of wavenumbers, a first derivative of normalised spectra yielded the best accuracies, whereas after the automatic selection of wavenumbers, no particular statistical pretreatment appeared to yield better results than any other. Finally, the automatic selection of wavenumbers slightly improved the accuracy of the models for all traits. These results demonstrate the potential of NIR spectroscopy as a high-throughput and non-destructive phenotyping technique in tree breeding for the improvement of decay resistance in heartwood timber.

Measurement of the Irganox Content in Polypropylene Polymers during Extrusion

2005 ◽  
Vol 13 (3) ◽  
pp. 147-154 ◽  
Author(s):  
Wolfgang Becker ◽  
Norbert Eisenreich
Keyword(s):  
Near Infrared ◽  
Prediction Models ◽  
Partial Least Square ◽  
Least Square ◽  
Partial Least Square Regression ◽  
Process Conditions ◽  
Transmission Spectra ◽  
Mean Square ◽  
Score Plot ◽  
Least Square Regression

Near infrared spectroscopy was used as an in-line control system for the measurement of polypropylene filled with different amounts of Irganox additives. For this purpose transmission probes were installed in an extruder. The probes can withstand temperatures up to 300°C and pressures up to 60 MPa. Transmission spectra of polypropylene mixed with an Irganox additive were recorded. PCA score plot was carried out revealing the influence of varying conditions for the mixing of the sample preparation. Prediction models were generated with partial least square regression which resulted in a model which estimated Irganox with a coefficient of detremination of 0.984 and a root mean square error of prediction of 0.098%. Furthermore the possibilities for controlling process conditions by measuring transmission at a specific wavelength were shown.

Determination of Fat, Protein, and Total Solids in Cheese by Near-Infrared Reflectance Spectroscopy

1995 ◽  
Vol 78 (3) ◽  
pp. 802-806 ◽  
Author(s):  
José Louis Rodriguez-Otero ◽  
Maria Hermida ◽  
Alberto Cepeda
Keyword(s):  
Near Infrared ◽  
Independent Set ◽  
Nir Spectroscopy ◽  
Partial Least Square ◽  
Least Square ◽  
Partial Least Square Regression ◽  
Sample Treatment ◽  
Infrared Reflectance ◽  
Near Infrared Reflectance ◽  
Total Solids

Abstract Near-infrared reflectance (NIR) spectroscopy was used to analyze fat, protein, and total solids in cheese without any sample treatment. A set of 92 samples of cow’s milk cheese was used for instrument calibration by principal components analysis and modified partial least-square regression. The following statistical values were obtained: standard error of calibration (SEC) = 0.388 and squared correlation coefficient (R2) = 0.99 for fat, SEC = 0.397 and R2 = 0.98 for protein, and SEC = 0.412 and R2 = 0.99 for total solids. To validate the calibration, an independent set of 25 cheese samples of the same type was used. Standard errors of validation were 0.47,0.50, and 0.61 for fat, protein, and total solids, respectively, and hf for the regression of measurements by reference methods versus measurements by NIR spectroscopy was 0.98 for the 3 components.

scholarly journals Prediction of macro- and microelements content in Croatian common bean landraces (Phaseolus vulgaris L.) by NIR spectroscopy

Poljoprivreda ◽  
2019 ◽  
Vol 25 (1) ◽  
pp. 48-55
Author(s):  
Marina Vranić ◽  
Marko Petek ◽  
Krešimir Bošnjak ◽  
Boris Lazarević ◽  
Klaudija Carović Stanko
Keyword(s):  
Phaseolus Vulgaris ◽  
Common Bean ◽  
Near Infrared ◽  
Model Development ◽  
Nir Spectroscopy ◽  
Principal Component ◽  
Partial Least Square ◽  
Least Square ◽  
Potassium Oxide ◽  
Phaseolus Vulgaris L

In this study, near-infrared spectroscopy (NIRS) was used to predict the contents of essential macro- and microelements in common bean (Phaseolus vulgaris L.) accessions of most widespread Croatian landraces. Total of 175 samples were used for the model development by modified partial least square (MPLS), principal component regression (PCR) and partial least square (PLS) techniques. Based on the coefficients of determination (R2), standard error of calibration (SEC) and error of prediction (SEP) the models developed were (i) nearly applicable for nitrogen (N) (0.89, 0.12 and 0.45 respectively), (ii) poor for iron (Fe), cinc (Zn), potassium oxide (K2O) and potassium (K), (iii) usable for phosphorus pentoxide (P2O5), phosphorus (P), phytic acid (PA) and manganese (Mn). The MPLS regression statistics suggested the most accurate models developed comparing with PLS and PCR. It was concluded that a wider set of common bean samples needs to be used for macro- and microelements prediction by NIRS.

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