Rapid Determination of Heartwood Extractives in Larix sp. by Means of Fourier Transform near Infrared Spectroscopy

The feasibility of Fourier transform near infrared (FT-NIR) spectroscopy to rapidly determine extractive and phenolic content in heartwood of larch trees ( Larix decidua MILL., L. leptolepis (LAMB.) CARR. and the hybrid L. x eurolepis) was investigated. FT-NIR spectra were collected from wood powder and solid wood using a fibre-optic probe. Partial Least Squares (PLS) regression analyses were carried out describing relationships between the data sets of wet laboratory chemical data and the FT-NIR spectra. Besides cross and test set validation the established models were subjected to a further evaluation step by means of additional wood samples with unknown extractive content. Extractive and phenol contents of these additional samples were predicted and outliers detected through Mahalanobis distance calculations. Models based on the whole spectral range and without data pre-processing performed well in cross-validation and test set validation, but failed in the evaluation test, which is based on spectral outlier detection. But selection of data pre-processing methods and manual as well as automatic restriction of wavenumber ranges considerably improved the model predictability. High coefficients of determination ( R2) and low root mean square errors of cross-validation ( RMSECV) were obtained for hot water extractives ( R2 = 0.96, RMSECV = 0.86%, range = 4.9–20.4%), acetone extractives ( R2 = 0.86, RMSECV = 0.32%, range = 0.8–3.6%) and phenolic substances ( R2 = 0.98, RMSECV = 0.21%, range = 0.7–4.9%) from wood powder. The models derived from wood powder spectra were more precise than those obtained from solid wood strips. Overall, NIR spectroscopy has proven to be an easy to facilitate, reliable, accurate and fast method for non-destructive wood extractive determination.

Download Full-text

Rapid prediction of natural durability of larch heartwood using Fourier transform near-infrared spectroscopy

Canadian Journal of Forest Research ◽

10.1139/x03-092 ◽

2003 ◽

Vol 33 (9) ◽

pp. 1727-1736 ◽

Cited By ~ 44

Author(s):

Notburga Gierlinger ◽

Dominique Jacques ◽

Manfred Schwanninger ◽

Rupert Wimmer ◽

Barbara Hinterstoisser ◽

...

Keyword(s):

Fourier Transform ◽

Near Infrared ◽

Wood Decay ◽

Nir Spectroscopy ◽

Larix Kaempferi ◽

Natural Durability ◽

Fast Method ◽

European Standard ◽

Decay Tests ◽

Mean Square Errors

The feasibility of Fourier transform near-infrared (FT-NIR) spectroscopy for rapidly determining the natural durability of the heartwood of larch trees (Larix decidua Mill. and Larix kaempferi (Lamb.) Carrière) was investigated. FT-NIR spectra were collected from solid wood with a fibre-optical probe. Basidiomycetes tests using Coniophora puteana and Poria placenta were carried out on larch heartwood (European standard EN 113), with pine sapwood (Pinus sylvestris L.) used as a reference. The relative resistance to decay (x value) was calculated, and durability classes were estimated according to European standard EN 350-1. Partial least squares regressions between the data sets of wood decay tests (x values) and the FT-NIR spectra were calculated. It was found that multiplicative scatter correction considerably improved the model predictability. High coefficients of correlation (r) and low root mean square errors of prediction (RMSEP) were obtained for cross validation based on wood decay tests with P. placenta (r = 0.92, RMSEP = 0.077, range 0.27-1.13) and C. puteana (r = 0.97, RMSEP = 0.078, range 0.07-1.58). Overall, NIR spectroscopy has proven to be an accurate and fast method for the nondestructive determination of natural durability, which might be highly relevant for intensive tree breeding programs and for efforts to optimize wood utilization.

Download Full-text

Analysis of Pinus radiata D. Don Bark by Near Infrared Spectroscopy

Holzforschung ◽

10.1515/hf.2003.077 ◽

2003 ◽

Vol 57 (5) ◽

pp. 520-526 ◽

Cited By ~ 8

Author(s):

L. R. Schimleck ◽

Y. Yazaki

Keyword(s):

Infrared Spectroscopy ◽

Near Infrared Spectroscopy ◽

Pinus Radiata ◽

Near Infrared ◽

Practical Importance ◽

Nir Spectroscopy ◽

Hot Water ◽

Standard Errors ◽

Test Set

Summary The estimation of a range of Pinus radiata D. Don bark properties by calibrated near infrared (NIR) spectroscopy is reported. A series of P. radiata samples were characterised in terms of hot water extractives, NaOH extractives and Stiasny value. NIR spectra were obtained from the milled bark of each sample and used to develop calibrations for each parameter. Coefficients of determination (R2) ranged from 0.84 (NaOH extractives) to 0.94 (Stiasny value). Standard errors of calibration ranged from 0.96 (NaOH extractives) to 2.47 (Stiasny value). When applied to a separate test set, the hot water extractives and Stiasny value calibrations performed well, while the NaOH calibration was disappointing. The calibration developed for Stiasny value could be of considerable practical importance as the method used to determine Stiasny value is particularly time consuming.

Download Full-text

Hydraulic traits of Norway spruce sapwood estimated by Fourier transform near-infrared spectroscopy (FT-NIR)

Canadian Journal of Forest Research ◽

10.1139/cjfr-2014-0452 ◽

2015 ◽

Vol 45 (6) ◽

pp. 625-631 ◽

Cited By ~ 4

Author(s):

Saskia Luss ◽

Manfred Schwanninger ◽

Sabine Rosner

Keyword(s):

Fourier Transform ◽

Norway Spruce ◽

Hydraulic Properties ◽

Near Infrared ◽

Cross Validation ◽

Nir Spectroscopy ◽

Air Pressure ◽

Coefficient Of Determination ◽

Least Squares Regression ◽

The Impact

The potential of Fourier transform near-infrared (FT-NIR) spectroscopy to predict hydraulic traits in Norway spruce (Picea abies (L.) Karst.) sapwood was evaluated. Hydraulic traits tested were P50 (applied air pressure causing 50% loss of hydraulic conductivity) and RWL50 (applied air pressure causing 50% relative water loss). Samples came from 24-year-old spruce clones. FT-NIR spectra were collected from the axial (transverse) and radial surface of each solid wood sample for the prediction of P50 and RWL50. Partial least squares regression (PLS-R) models with cross validation were used to establish relationships between the FT-NIR spectra and the reference data from hydraulic properties analysis. The impact of the wavenumber range and the pretreatment during the PLS-R model development and the differences between the axial and radial surfaces were shown. Based on the values of the coefficient of determination (r2) and the root mean square error of cross validation, predicted results were evaluated as acceptable. The models from the axial surface gave better results than the models from the radial surface for P50 (r2 = 0.65), as well as for RWL50 (r2 = 0.77). The first approach to predict hydraulic properties such as P50 and RWL50 by FT-NIR spectroscopy can be regarded as successful. We conclude that the method has high potential to be put into practice as a rapid, reliable, and nondestructive method to determine P50 and RWL50.

Download Full-text

Application of Near Infrared Spectroscopy Coupled with Fluidized Bed Enrichment and Chemometrics to Detect Low Concentration of β-Naphthalenesulfonic Acid

Journal of AOAC International ◽

10.5740/jaoacint.12-436 ◽

2015 ◽

Vol 98 (1) ◽

pp. 183-187 ◽

Cited By ~ 1

Author(s):

Wei Li ◽

Xuan Zhang ◽

Kaiyi Zheng ◽

Yiping Du ◽

Peng Cap ◽

...

Keyword(s):

Fluidized Bed ◽

Near Infrared ◽

Cross Validation ◽

Scatter Correction ◽

Nir Spectroscopy ◽

Selection Method ◽

Test Set ◽

Enrichment Technique ◽

Independent Test ◽

Wavenumber Selection

Abstract A fluidized bed enrichment technique was developed to improve sensitivity of near infrared (NIR) spectroscopy with features of rapidness and large volumesolution. D301 resin was used as an adsorption material to preconcentrate β-naphthalenesulfonic acid in solutions in a concentration range of 2.0–100.0 μg/mL, and NIR spectra were measured directly relative to the β-naphthalenesulfonic acid adsorbed on the material. An improved partial least squares (PLS) model was attained with the aid of multiplicative scatter correction pretreatmentand stability competitive adaptive reweighted sampling wavenumber selection method. The root mean squareerror of cross validation was 1.87 μg/mL at PLS factor of 7. An independent test set was used to assess the model, with the relative error (RE) in anacceptable range of 0.46 to 10.03% and mean RE of 3.72%. This study confirmed the viability of the proposed method for the measurement of a low content of β-naphthalenesulfonic acid in water.

Download Full-text

Fourier Transform near Infrared Spectroscopy Applied to Analysis of Chocolate

Journal of Near Infrared Spectroscopy ◽

10.1255/jnirs.285 ◽

2000 ◽

Vol 8 (4) ◽

pp. 251-257 ◽

Cited By ~ 14

Author(s):

Jolana Tarkošová ◽

Jana Čopíková

Keyword(s):

Fourier Transform ◽

Reference Values ◽

Near Infrared ◽

Cross Validation ◽

Nir Spectroscopy ◽

Sufficient Accuracy ◽

Standard Methods ◽

Calibration Models ◽

Predicted Values ◽

Calibration Equations

Fourier transform near infrared (FT-NIR) spectroscopy was used to establish calibration equations with the aim of determining sucrose, lactose, fat and moisture in chocolate. The possibility of using FT-NIR spectroscopy for evaluating rheological properties (viscosity and yield) of chocolate was also investigated. The concentrations of individual components and the values of viscosity and yield obtained by standard methods were used as reference values. The spectra of 96 chocolate samples were recorded in reflectance mode in the range of 910–2500 nm using an FT-NIR Nicolet Avatar 360N spectrometer equipped with the UpDRIFT accessory. The first or second derivative transformation of the original NIR spectra gave the best accuracy. A partial least squares (PLS) algorithm was used to create calibration models relating reference values to spectral data. The models were validated using cross-validation. The validation results proved that fat, sucrose and lactose can be predicted with sufficient accuracy, while predicted values for moisture, viscosity and yield are less reliable.

Download Full-text

Feasibility of Using VIS/NIR Spectroscopy and Multivariate Analysis for Pesticide Residue Detection in Tomatoes

Processes ◽

10.3390/pr9020196 ◽

2021 ◽

Vol 9 (2) ◽

pp. 196

Author(s):

Araz Soltani Nazarloo ◽

Vali Rasooli Sharabiani ◽

Yousef Abbaspour Gilandeh ◽

Ebrahim Taghinezhad ◽

Mariusz Szymanek ◽

...

Keyword(s):

Near Infrared ◽

Cross Validation ◽

Low Cost ◽

Moving Average ◽

Nir Spectroscopy ◽

Control Treatment ◽

Residue Detection ◽

Non Destructive ◽

Reflective Spectroscopy

The purpose of this work was to investigate the detection of the pesticide residual (profenofos) in tomatoes by using visible/near-infrared spectroscopy. Therefore, the experiments were performed on 180 tomato samples with different percentages of profenofos pesticide (higher and lower values than the maximum residual limit (MRL)) as compared to the control (no pesticide). VIS/near infrared (NIR) spectral data from pesticide solution and non-pesticide tomato samples (used as control treatment) impregnated with different concentrations of pesticide in the range of 400 to 1050 nm were recorded by a spectrometer. For classification of tomatoes with pesticide content at lower and higher levels of MRL as healthy and unhealthy samples, we used different spectral pre-processing methods with partial least squares discriminant analysis (PLS-DA) models. The Smoothing Moving Average pre-processing method with the standard error of cross validation (SECV) = 4.2767 was selected as the best model for this study. In addition, in the calibration and prediction sets, the percentages of total correctly classified samples were 90 and 91.66%, respectively. Therefore, it can be concluded that reflective spectroscopy (VIS/NIR) can be used as a non-destructive, low-cost, and rapid technique to control the health of tomatoes impregnated with profenofos pesticide.

Download Full-text

Analysis of Black Wattle (Acacia mearnsii De Wild) Bark by Near Infrared Spectroscopy

Holzforschung ◽

10.1515/hf.2003.078 ◽

2003 ◽

Vol 57 (5) ◽

pp. 527-532 ◽

Cited By ~ 3

Author(s):

L. R. Schimleck ◽

Y. Yazaki

Keyword(s):

Near Infrared ◽

Rapid Assessment ◽

Nir Spectroscopy ◽

Hot Water ◽

Soluble Solids ◽

Tannin Content ◽

Acacia Mearnsii ◽

Considerable Potential ◽

Black Wattle

Summary The analysis of two sets of Acacia mearnsii De Wild (Black Wattle) samples by near infrared (NIR) spectroscopy is reported. Set 1 samples were characterised in terms of hot water extractives, Stiasny value and polyflavanoid content. Set 2 samples were characterised by nine different parameters, including tannin content. NIR spectra were obtained from the milled bark of all samples and calibrations developed for each parameter. Calibrations developed for hot water extractives and polyflavanoid content (set 1) gave very good coefficients of determination (R2) and performed well in prediction. Set 2 calibrations were generally good with total and soluble solids, tannin content, Stiasny value-2 and UV-2, all having R2 greater than 0.8. Owing to the small number of set 2 samples, no predictions were made using the calibrations. The strong relationships obtained for many parameters in this study indicates that NIR spectroscopy has considerable potential for the rapid assessment of the quality of extractives in A. mearnsii bark.

Download Full-text

A New Plant Indicator (Artemisia lavandulaefolia DC.) of Mercury in Soil Developed by Fourier-Transform Near-Infrared Spectroscopy Coupled with Least Squares Support Vector Machine

Journal of Analytical Methods in Chemistry ◽

10.1155/2019/3240126 ◽

2019 ◽

Vol 2019 ◽

pp. 1-6

Author(s):

Lu Xu ◽

Qiong Shi ◽

Bang-Cheng Tang ◽

Shunping Xie

Keyword(s):

Support Vector Machine ◽

Fourier Transform ◽

Least Squares ◽

Near Infrared ◽

Mercury Level ◽

Reference Method ◽

Nir Spectroscopy ◽

Classification Model ◽

Support Vector ◽

Reference Analysis

A rapid indicator of mercury in soil using a plant (Artemisia lavandulaefolia DC., ALDC) commonly distributed in mercury mining area was established by fusion of Fourier-transform near-infrared (FT-NIR) spectroscopy coupled with least squares support vector machine (LS-SVM). The representative samples of ALDC (stem and leaf) were gathered from the surrounding and distant areas of the mercury mines. As a reference method, the total mercury contents in soil and ALDC samples were determined by a direct mercury analyzer incorporating high-temperature decomposition, catalytic adsorption for impurity removal, amalgamation capture, and atomic absorption spectrometry (AAS). Based on the FT-NIR data of ALDC samples, LS-SVM models were established to distinguish mercury-contaminated and ordinary soil. The results of reference analysis showed that the mercury level of the areas surrounding mercury mines (0–3 kilometers, 7.52–88.59 mg/kg) was significantly higher than that of the areas distant from mercury mines (>5 kilometers, 0–0.75 mg/kg). The LS-SVM classification model of ALDC samples was established based on the original spectra, smoothed spectra, second-derivative (D2) spectra, and standard normal transformation (SNV) spectra, respectively. The prediction accuracy of D2-LS-SVM was the highest (0.950). FT-NIR combined with LS-SVM modeling can quickly and accurately identify the contaminated ALDC. Compared with traditional methods which rely on naked eye observation of plants, this method is objective and more sensitive and applicable.

Download Full-text

Monitoring of CO2 Absorption Solvent in Natural Gas Process Using Fourier Transform Near-Infrared Spectrometry

International Journal of Analytical Chemistry ◽

10.1155/2020/9830685 ◽

2020 ◽

Vol 2020 ◽

pp. 1-9

Author(s):

Mohd Yusop Nurida ◽

Dolmat Norfadilah ◽

Mohd Rozaiddin Siti Aishah ◽

Chan Zhe Phak ◽

Syafiqa M. Saleh

Keyword(s):

Fourier Transform ◽

Near Infrared ◽

Nir Spectroscopy ◽

Partial Least Square ◽

Least Square ◽

Infrared Spectrometry ◽

Calibration Model ◽

Co2 Absorption ◽

Processing Unit

The analytical methods for the determination of the amine solvent properties do not provide input data for real-time process control and optimization and are labor-intensive, time-consuming, and impractical for studies of dynamic changes in a process. In this study, the potential of nondestructive determination of amine concentration, CO2 loading, and water content in CO2 absorption solvent in the gas processing unit was investigated through Fourier transform near-infrared (FT-NIR) spectroscopy that has the ability to readily carry out multicomponent analysis in association with multivariate analysis methods. The FT-NIR spectra for the solvent were captured and interpreted by using suitable spectra wavenumber regions through multivariate statistical techniques such as partial least square (PLS). The calibration model developed for amine determination had the highest coefficient of determination (R2) of 0.9955 and RMSECV of 0.75%. CO2 calibration model achieved R2 of 0.9902 with RMSECV of 0.25% whereas the water calibration model had R2 of 0.9915 with RMSECV of 1.02%. The statistical evaluation of the validation samples also confirmed that the difference between the actual value and the predicted value from the calibration model was not significantly different and acceptable. Therefore, the amine, CO2, and water models have given a satisfactory result for the concentration determination using the FT-NIR technique. The results of this study indicated that FT-NIR spectroscopy with chemometrics and multivariate technique can be used for the CO2 solvent monitoring to replace the time-consuming and labor-intensive conventional methods.

Download Full-text