Use of handheld mid-infrared spectroscopy and partial least-squares regression for the prediction of the phosphorus buffering index in Australian soils

Soil Research ◽  
2015 ◽  
Vol 53 (1) ◽  
pp. 67 ◽  
Author(s):  
Sean T. Forrester ◽  
Les J. Janik ◽  
José M. Soriano-Disla ◽  
Sean Mason ◽  
Lucy Burkitt ◽  
...  

The development of techniques for the rapid, inexpensive and accurate determination of the phosphorus (P) buffer index (PBI) in soils is important in terms of increasing the efficiency of P application for optimum crop requirements and preventing environmental pollution due to excessive use of P fertilisers. This paper describes the successful implementation of partial least-squares regression (PLSR) from spectra obtained with bench-top and handheld mid-infrared (MIR) spectrometers for the prediction of PBI on 601 representative Australian agricultural soils. By contrast, poor predictions were obtained for available (Colwell) P. Regression models were successfully derived for PBI ranges of 0–800 and 0–150, the latter range resulting in the optimum model considering the dominance of low PBI soils in the sample set. Concentrations of some major soil minerals (mainly kaolinite and gibbsite content for high PBI, and smectites or illites for low PBI), quartz (representative of low surface area of soils) and, to a lesser extent, carbonate and soil organic matter were identified as the main drivers of the PBI models. Models developed with soils sieved to <2 mm presented an accuracy similar to those developed using fine-ground material. The accuracy of the PLSR for the prediction of PBI by using bench-top and handheld instruments was also similar. Our results confirm the possibility of using MIR spectroscopy for the onsite prediction of PBI.

Plant Methods ◽  
2021 ◽  
Vol 17 (1) ◽  
Author(s):  
Jordi Ortuño ◽  
Sokratis Stergiadis ◽  
Anastasios Koidis ◽  
Jo Smith ◽  
Chris Humphrey ◽  
...  

Abstract Background The presence of condensed tannins (CT) in tree fodders entails a series of productive, health and ecological benefits for ruminant nutrition. Current wet analytical methods employed for full CT characterisation are time and resource-consuming, thus limiting its applicability for silvopastoral systems. The development of quick, safe and robust analytical techniques to monitor CT’s full profile is crucial to suitably understand CT variability and biological activity, which would help to develop efficient evidence-based decision-making to maximise CT-derived benefits. The present study investigates the suitability of Fourier-transformed mid-infrared spectroscopy (MIR: 4000–550 cm−1) combined with multivariate analysis to determine CT concentration and structure (mean degree of polymerization—mDP, procyanidins:prodelphidins ratio—PC:PD and cis:trans ratio) in oak, field maple and goat willow foliage, using HCl:Butanol:Acetone:Iron (HBAI) and thiolysis-HPLC as reference methods. Results The MIR spectra obtained were explored firstly using Principal Component Analysis, whereas multivariate calibration models were developed based on partial least-squares regression. MIR showed an excellent prediction capacity for the determination of PC:PD [coefficient of determination for prediction (R2P) = 0.96; ratio of prediction to deviation (RPD) = 5.26, range error ratio (RER) = 14.1] and cis:trans ratio (R2P = 0.95; RPD = 4.24; RER = 13.3); modest for CT quantification (HBAI: R2P = 0.92; RPD = 3.71; RER = 13.1; Thiolysis: R2P = 0.88; RPD = 2.80; RER = 11.5); and weak for mDP (R2P = 0.66; RPD = 1.86; RER = 7.16). Conclusions MIR combined with chemometrics allowed to characterize the full CT profile of tree foliage rapidly, which would help to assess better plant ecology variability and to improve the nutritional management of ruminant livestock.


Soil Research ◽  
2016 ◽  
Vol 54 (8) ◽  
pp. 889 ◽  
Author(s):  
Leslie J. Janik ◽  
José M. Soriano-Disla ◽  
Sean T. Forrester ◽  
Michael J. McLaughlin

Soil composition and preparation can affect prediction accuracy using diffuse reflectance mid-infrared Fourier transform spectroscopy (DRIFTS). In the present study, we evaluated the effect of soil composition, preparation and carbonate content on the accuracy of particle size distribution (PSD) predictions in four contrasting sets of soils, including calcareous soils, using partial least-squares regression (PLSR). The soils were scanned as <2- and <0.1-mm fine-ground samples. Regression calibrations were derived for individual soil sets, as well as a composite of the four sets. Predictions for clay and sand for the <2-mm composite calibration resulted in good accuracy (coefficient of determination R2=0.78; ratio of the standard deviation of reference values to the prediction error (RPD)=2.2), but were less accurate for clay in the calcareous soils (R2=0.70–0.78; RPD=1.8–1.1) and similarly accurate for sand (R2=0.68–0.80; RPD=1.7–2.2). Predictions for silt were poor. Accuracies improved by fine grinding (R2=0.88, RPD=2.9 for clay; R2=0.84, RPD=2.9 for sand). It was concluded that single, large and highly variable sets rather than site-specific calibrations could be used for the PSD predictions of specific soil sets. Changes in the PLSR loading weights, resulting from grinding, could be linked to an improved access of the infrared beam to the soil matrix by removal or dilution of surface coatings, resulting in a reduction of inter- and intraparticulate heterogeneity.


Sign in / Sign up

Export Citation Format

Share Document