Soil exchangeable cations estimation using Vis-NIR spectroscopy in different depths: Effects of multiple calibration models and spiking

2021 ◽  
Vol 182 ◽  
pp. 105990
Author(s):  
Dongxue Zhao ◽  
Maryem Arshad ◽  
Jie Wang ◽  
John Triantafilis
Keyword(s):  
Nir Spectroscopy ◽  
Exchangeable Cations ◽  
Calibration Models ◽  
Different Depths

Soil exchangeable cations estimation using Vis-NIR spectroscopy in different depths: Effects of multiple calibration models and spiking 

2021 ◽  
Author(s):  
Dongxue Zhao ◽  
Maryem Arshad ◽  
Jie Wang ◽  
John Triantafilis
Keyword(s):  
Near Infrared ◽  
Nir Spectroscopy ◽  
High Rate ◽  
Support Vector ◽  
Least Squares Regression ◽  
Spectral Library ◽  
Calibration Models ◽  
Development Data ◽  
Different Depths ◽  
Spectral Libraries

<p>Due to high rate of nutrient removal by cotton plants, the productive cotton-growing soils of Australia is becoming depleted of exchangeable (exch.) cations. For long-term development, data on exch. calcium (Ca), magnesium (Mg), potassium (K) and sodium (Na) throughout the soil profile is required. However, traditional laboratory analysis is tedious. The visible-near-infrared (Vis-NIR) spectroscopy is an alternative; whereby, spectral libraries are built which couple soil data and Vis-NIR spectra using models. While various models have been used to predict exch. cations, their performance was seldom systematically compared. Moreover, most previous studies have focused on prediction of topsoil (0–0.3 m) exch. cations while the effects of depth on applicability of topsoil spectral libraries are rarely investigated. Our first aim was to determine which model (i.e. partial least squares regression (PLSR), Cubist, random forest (RF), or support vector machine regression (SVMR)) produces the best prediction of topsoil exch. Ca, Mg, K and Na. The second aim was to evaluate if the best topsoil model can be used to predict subsurface (0.3–0.6 m) and subsoil (0.9–1.2 m) cations. The third aim was to explore the effect of spiking on the prediction in subsurface and subsoil. The fourth aim was to see if combining all depths to build a profile spectral library improved prediction. Based on independent validation, PLSR was superior for topsoil exch. cations prediction, while Cubist outperformed PLSR in some cases when spiking was applied, and the profile spectral library was considered. Topsoil PLSR could be applied to predict exch. Ca and Mg in the subsurface and subsoil, while spiking improved prediction. Moreover, a profile spectral library achieved equivalent results with when topsoil samples coupled with spiking were considered. We, therefore, recommended to predict exch. Ca and Mg throughout the profile using topsoil spectral library coupled with spiking approach.</p>

scholarly journals Influence of environmental factors on the detection of blood in sheep faeces using visible–near-infrared spectroscopy as a measure of Haemonchus contortus infection

2020 ◽  
Vol 13 (1) ◽  
Author(s):  
Elise A. Kho ◽  
Jill N. Fernandes ◽  
Andrew C. Kotze ◽  
Glen P. Fox ◽  
Maggy T. Sikulu-Lord ◽  
...  
Keyword(s):  
Principal Component Analysis ◽  
Haemonchus Contortus ◽  
Prediction Accuracy ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Principal Component ◽  
Component Analysis ◽  
Diagnostic Methods ◽  
Calibration Models ◽  
Good Prediction Accuracy

Abstract Background Existing diagnostic methods for the parasitic gastrointestinal nematode, Haemonchus contortus, are time consuming and require specialised expertise, limiting their utility in the field. A practical, on-farm diagnostic tool could facilitate timely treatment decisions, thereby preventing losses in production and flock welfare. We previously demonstrated the ability of visible–near-infrared (Vis–NIR) spectroscopy to detect and quantify blood in sheep faeces with high accuracy. Here we report our investigation of whether variation in sheep type and environment affect the prediction accuracy of Vis–NIR spectroscopy in quantifying blood in faeces. Methods Visible–NIR spectra were obtained from worm-free sheep faeces collected from different environments and sheep types in South Australia (SA) and New South Wales, Australia and spiked with various sheep blood concentrations. Spectra were analysed using principal component analysis (PCA), and calibration models were built around the haemoglobin (Hb) wavelength region (387–609 nm) using partial least squares regression. Models were used to predict Hb concentrations in spiked faeces from SA and naturally infected sheep faeces from Queensland (QLD). Samples from QLD were quantified using Hemastix® test strip and FAMACHA© diagnostic test scores. Results Principal component analysis showed that location, class of sheep and pooled versus individual samples were factors affecting the Hb predictions. The models successfully differentiated ‘healthy’ SA samples from those requiring anthelmintic treatment with moderate to good prediction accuracy (sensitivity 57–94%, specificity 44–79%). The models were not predictive for blood in the naturally infected QLD samples, which may be due in part to variability of faecal background and blood chemistry between samples, or the difference in validation methods used for blood quantification. PCA of the QLD samples, however, identified a difference between samples containing high and low quantities of blood. Conclusion This study demonstrates the potential of Vis–NIR spectroscopy for estimating blood concentration in faeces from various types of sheep and environmental backgrounds. However, the calibration models developed here did not capture sufficient environmental variation to accurately predict Hb in faeces collected from environments different to those used in the calibration model. Consequently, it will be necessary to establish models that incorporate samples that are more representative of areas where H. contortus is endemic.

scholarly journals Assessment of quality defects in macadamia kernels using NIR spectroscopy

2004 ◽  
Vol 55 (4) ◽  
pp. 471 ◽  
Author(s):  
John Guthrie ◽  
Colin Greensill ◽  
Ray Bowden ◽  
Kerry Walsh
Keyword(s):  
Moisture Content ◽  
Oil Content ◽  
Model Performance ◽  
Nir Spectroscopy ◽  
Principal Component ◽  
Insect Damage ◽  
Mould Growth ◽  
Reference Analysis ◽  
Calibration Models ◽  
Calibration Coefficients

Spectral data were collected of intact and ground kernels using 3 instruments (using Si-PbS, Si, and InGaAs detectors), operating over different areas of the spectrum (between 400 and 2500 nm) and employing transmittance, interactance, and reflectance sample presentation strategies. Kernels were assessed on the basis of oil and water content, and with respect to the defect categories of insect damage, rancidity, discoloration, mould growth, germination, and decomposition. Predictive model performance statistics for oil content models were acceptable on all instruments (R2 > 0.98; RMSECV < 2.5%, which is similar to reference analysis error), although that for the instrument employing reflectance optics was inferior to models developed for the instruments employing transmission optics. The spectral positions for calibration coefficients were consistent with absorbance due to the third overtones of CH2 stretching. Calibration models for moisture content in ground samples were acceptable on all instruments (R2 > 0.97; RMSECV < 0.2%), whereas calibration models for intact kernels were relatively poor. Calibration coefficients were more highly weighted around 1360, 740 and 840 nm, consistent with absorbance due to overtones of O-H stretching and combination. Intact kernels with brown centres or rancidity could be discriminated from each other and from sound kernels using principal component analysis. Part kernels affected by insect damage, discoloration, mould growth, germination, and decomposition could be discriminated from sound kernels. However, discrimination among these defect categories was not distinct and could not be validated on an independent set.It is concluded that there is good potential for a low cost Si photodiode array instrument to be employed to identify some quality defects of intact macadamia kernels and to quantify oil and moisture content of kernels in the process laboratory and for oil content in-line. Further work is required to examine the robustness of predictive models across different populations, including growing districts, cultivars and times of harvest.

scholarly journals Rapid Determination of Nutritional Parameters of Pasta/Sauce Blends by Handheld Near-Infrared Spectroscopy

Molecules ◽  
2019 ◽  
Vol 24 (11) ◽  
pp. 2029 ◽  
Author(s):  
Marina D. G. Neves ◽  
Ronei J. Poppi ◽  
Heinz W. Siesler
Keyword(s):  
Near Infrared ◽  
Rapid Determination ◽  
Analytical Data ◽  
Nir Spectroscopy ◽  
Nutritional Parameters ◽  
Direct To Consumer ◽  
Calibration Models ◽  
Food And Beverage ◽  
The Individual ◽  
Near Future

Nowadays, near infrared (NIR) spectroscopy has experienced a rapid progress in miniaturization (instruments < 100 g are presently available), and the price for handheld systems has reached the < $500 level for high lot sizes. Thus, the stage is set for NIR spectroscopy to become the technique of choice for food and beverage testing, not only in industry but also as a consumer application. However, contrary to the (in our opinion) exaggerated claims of some direct-to-consumer companies regarding the performance of their “food scanners” with “cloud evaluation of big data”, the present publication will demonstrate realistic analytical data derived from the development of partial least squares (PLS) calibration models for six different nutritional parameters (energy, protein, fat, carbohydrates, sugar, and fiber) based on the NIR spectra of a broad range of different pasta/sauce blends recorded with a handheld instrument. The prediction performance of the PLS calibration models for the individual parameters was double-checked by cross-validation (CV) and test-set validation. The results obtained suggest that in the near future consumers will be able to predict the nutritional parameters of their meals by using handheld NIR spectroscopy under every-day life conditions.

Determine of Moisture Content for Rough Rice Single Kernel by Visible/NIR Spectroscopy

2014 ◽  
Vol 931-932 ◽  
pp. 1549-1554 ◽  
Author(s):  
Adcha Heman ◽  
Ching Lu Hsieh
Keyword(s):  
Moisture Content ◽  
Nir Spectroscopy ◽  
Partial Least Square ◽  
Least Square ◽  
Partial Least Square Regression ◽  
Regression Methods ◽  
Average Accuracy ◽  
Rough Rice ◽  
Calibration Models ◽  
Plsr Model

Moisture content (MC) of rough rice directly affects rice quality and its market value. This study applied spectroscopy both in visible 400-700 nm and NIR 700-1050 nm bands to record spectrum of rough rice single kernel (SK). Tainan No.11 medium rice randomly collected from field. After machine harvested, it was used in the tests and they were conditioned by oven to five MC levels ranging from 10.2 to 35.9%. Two regression methods, multiple linear regressions (MLR) and partial least square regression (PLSR), were applied to develop calibration models. Among 7 tested models were found that PLSR model of first differential with 21 gap points, which are rc=0.98, SEC=1.1% for calibration and rp=0.96, SEP=1.9% for prediction. The results suggested average accuracy for the best model was about 98.4% in 400-1050 nm wavelength.

Prediction of Yellow-Poplar (Liriodendron Tulipifera) Veneer Stiffness and Bulk Density Using near Infrared Spectroscopy and Multivariate Calibration

2008 ◽  
Vol 16 (5) ◽  
pp. 487-496 ◽  
Author(s):  
Oluwatosin Emmanuel Adedipe ◽  
Ben Dawson-Andoh
Keyword(s):  
Bulk Density ◽  
Spectral Range ◽  
Predictive Models ◽  
Spectral Region ◽  
Near Infrared ◽  
Multivariate Calibration ◽  
Nir Spectroscopy ◽  
Yellow Poplar ◽  
First Derivative ◽  
Calibration Models

This study investigated the feasibility of using near infrared (NIR) spectroscopy and multivariate calibration to predict bulk density and stiffness of 3.2 mm thick yellow poplar veneer strips. Full-range (800–2500 nm) raw NIR spectra and spectra pre-treated using the first derivative method, along with spectra from three other different wavelength windows of 1200–2400 nm, 1800–2400 nm and 1400–2000 nm were regressed against the bulk density (kg m−3) values and the dynamic modulus of elasticity (stiffness; GPa) of the veneers using the projection to latent structures (PLS) method to develop calibration models. All predictive models developed performed well in the prediction of bulk density and stiffness of new test samples that were not included in the calibration models. R2 values ranged from 0.67-0.78 and 0.56-0.72, respectively, for bulk density and stiffness. There was significant improvement in models developed with first derivative spectra over models developed with raw spectra. The models developed using the first derivative used fewer latent variables to achieve predictive models with higher R2 values, lower root mean square errors of prediction (RMSEP) and standard errors of prediction (SEP). Models developed using the full NIR spectral range (800–2500 nm) and the NIR spectral region of 1200–2400 nm performed better than models developed using the restricted NIR wavelength regions of 1800–2400 nm and 1400–2000 nm. However, there was no clear distinction between models developed using the full NIR spectral range and the NIR spectral region of 1200–2400 nm. Overall, models developed with the first derivative pre-processed spectra using the whole NIR spectrum performed best in predictability. The results of this study show the potential of using multivariate data analysis coupled with NIR spectroscopy for on-line sorting and assessment of veneer stiffness prior to the lay-up process in the manufacturing of veneer-based engineered wood products such as plywood, Parallam and laminated veneer lumber.

Comparison of Two Different Approaches toward Model Transferability in NIR Spectroscopy

1998 ◽  
Vol 52 (1) ◽  
pp. 7-16 ◽  
Author(s):  
H. Swierenga ◽  
W. G. Haanstra ◽  
A. P. De Weijer ◽  
L. M. C. Buydens
Keyword(s):  
Ternary Mixture ◽  
Multivariate Calibration ◽  
Nir Spectroscopy ◽  
Data Preprocessing ◽  
Calibration Model ◽  
Model Transferability ◽  
Calibration Models ◽  
Calibration Samples ◽  
Direct Standardization

Recently, efficient methods have become available to transfer a multivariate calibration model from one instrument to another. Two categories can be distinguished: improvement of the robustness of the calibration model by, for example, a proper data preprocessing; and adaptation of the calibration model by, for example, (piecewise) direct standardization. In direct standardization, a subset from the calibration set should be measured on both instruments. Usually, however, the calibration samples cannot be measured on both instruments. When data preprocessing is applied to the transfer of multivariate calibration models, there is no need for remeasurement of a subset on both instruments. In this paper, both categories are compared for the determination of the component concentrations in a ternary mixture of methanol, ethanol, and 1-propanol using NIR spectroscopy. The calibration models obtained on one instrument are transferred to other NIR instruments. It has been found that the results of proper data preprocessing are comparable with the results obtained by direct standardization when the models are transferred over three NIR instruments.

scholarly journals Rapid determination of hyaluronic acid concentration in fermentation broth with near-infrared spectroscopy

2014 ◽  
Vol 07 (06) ◽  
pp. 1450012 ◽  
Author(s):  
Qin Dong ◽  
Hengchang Zang ◽  
Lixuan Zang ◽  
Aihua Liu ◽  
Yanli Shi ◽  
...  
Keyword(s):  
Hyaluronic Acid ◽  
Fermentation Process ◽  
Near Infrared ◽  
Fermentation Broth ◽  
Rapid Determination ◽  
Nir Spectroscopy ◽  
Promising Tool ◽  
Calibration Models ◽  
Order Polynomial

Hyaluronic acid (HA) concentration is an important parameter in fermentation process. Currently, carbazole assay is widely used for HA content determination in routine analysis. However, this method is time-consuming, environment polluting and has the risk of microbial contamination, as well as the results lag behind fermentation process. This paper attempted the feasibility to predict the concentration of HA in fermentation broth by using near infrared (NIR) spectroscopy in transmission mode. In this work, a total of 56 samples of fermentation broth from 7 batches were analyzed, which contained HA in the range of 2.35–9.69 g/L. Different data preprocessing methods were applied to construct calibration models. The final optimal model was obtained with first derivative using Savitzky–Golay smoothing (9 points window, second-order polynomial) and partial least squares (PLS) regression with leave-one-block-out cross validation. The correlation coefficient and Root Mean Square Error of prediction set is 0.98 and 0.43 g/L, respectively, which show the possibility of NIR as a rapid method for microanalysis and to be a promising tool for a rapid assay in HA fermentation.

scholarly journals Influence of environmental factors on the detection of blood in sheep faeces using visible-near infrared spectroscopy as a measure of Haemonchus contortus infection

2020 ◽  
Author(s):  
Elise Ai Hwee Kho ◽  
Jill N. Fernandes ◽  
Andrew C. Kotze ◽  
Glen P. Fox ◽  
Maggy T. Sikulu-Lord ◽  
...  
Keyword(s):  
Haemonchus Contortus ◽  
Prediction Accuracy ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Diagnostic Methods ◽  
Calibration Model ◽  
Good Prediction ◽  
Blood Concentrations ◽  
Calibration Models ◽  
Good Prediction Accuracy

Abstract Background: Existing diagnostic methods for the parasitic gastrointestinal nematode, Haemonchus contortus, are time consuming and require specialised expertise, limiting their utility in the field. A practical, on-farm diagnostic tool could facilitate timely treatment decisions, preventing production and welfare loss in the flock. We previously demonstrated the ability of visible-near infrared (vis-NIR) spectroscopy to detect and quantify blood in sheep faeces with high accuracy. Here we investigate whether variation in sheep type and environment affect the prediction accuracy of vis-NIR spectroscopy in quantifying blood in faeces.Methods: Vis-NIR spectra were obtained from worm-free sheep faeces from different environments in South Australia (SA) and New South Wales (NSW), Australia and spiked with various sheep blood concentrations collected. Spectra were analysed using principal component analysis (PCA), and calibration models were built around the haemoglobin (Hb) wavelength region (387 – 609 nm) using partial least squares (PLS) regression. Models were used to predict Hb concentrations in spiked faeces from SA and naturally infected Queensland (QLD) faeces. Naturally occurring blood in QLD samples was quantified using Hemastix® and FAMACHA© scores.Results: PCA showed that location, class of sheep and pooled/individual samples were factors affecting the Hb predictions in sheep faeces. The calibration models successfully differentiated ‘healthy’ SA samples from those requiring anthelmintic treatment with moderate to good prediction accuracy (sensitivity: 57 – 94%, specificity: 44 – 79%). The models were not predictive for naturally infected QLD samples, which may be due in part to variability of faecal background and blood chemistry between samples, or the difference in validation methods used for blood quantification. PCA of QLD samples, however, identified a difference between samples containing high and low quantities of blood.Conclusion: This study demonstrates the potential of vis-NIR spectroscopy for estimating blood concentration in faeces from various types of sheep and environmental backgrounds. However, the calibration models developed here did not capture enough environmental variation to accurately predict Hb in faeces collected from environments different to those used in the calibration model. Consequently, it will be necessary to establish models that incorporate samples that are more representative of areas where H. contortus is endemic for the accurate prediction of H. contortus infections in these regions.

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