scholarly journals A fast method to measure the degree of oxidation of dialdehyde celluloses using multivariate calibration and infrared spectroscopy

2021 ◽  
pp. 118887
Author(s):  
Jonas Simon ◽  
Otgontuul Tsetsgee ◽  
Nohman Arshad Iqbal ◽  
Janak Sapkota ◽  
Matti Ristolainen ◽  
...  
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.


2017 ◽  
Vol 25 (4) ◽  
pp. 223-230 ◽  
Author(s):  
Joseph Dubrovkin

It was shown that linear transformations are suitable for use in multivariate calibration in near infrared spectroscopy as data compression tools. Partial Least Squares calibration models were built using spectral data transformed by expansion in the series of classical orthogonal polynomials, Fourier and wavelet harmonics. These models allowed effective prediction of the cetane number of diesel fuels, Brix and pol parameters of syrup in sugar production and fat and total protein content in milk. Depending on the compression ratio, prediction errors were no larger than 30% of corresponding errors obtained by the use of the non-transformed models. Although selection of the most suitable transformation depends on the calibration data and on the cross-validation method, in many cases Fourier transform gave satisfactory results.


2012 ◽  
Vol 127 (5) ◽  
pp. 3441-3446 ◽  
Author(s):  
Viviane Fonseca Caetano ◽  
Glória Maria Vinhas ◽  
Maria Fernanda Pimentel ◽  
Simone da Silva Simões ◽  
Mário César Ugulino de Araújo

Fuel ◽  
2014 ◽  
Vol 117 ◽  
pp. 1111-1114 ◽  
Author(s):  
Lucas Caixeta Gontijo ◽  
Eloiza Guimarães ◽  
Hery Mitsutake ◽  
Felipe Bachion de Santana ◽  
Douglas Queiroz Santos ◽  
...  

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