Oil Content Estimation of Individual Kernels of Quercus Ilex Subsp. Rotundifolia [(Lam) O. Schwarz] Acorns by Fourier Transform near Infrared Spectroscopy and Partial Least Squares Regression

2007 ◽  
Vol 15 (4) ◽  
pp. 247-260 ◽  
Author(s):  
Cristina Sousa-Correia ◽  
Ana Alves ◽  
José C. Rodrigues ◽  
Suzana Ferreira-Dias ◽  
José M. Abreu ◽  
...  
Keyword(s):  
Fourier Transform ◽  
Least Squares ◽  
Partial Least Squares ◽  
Oil Content ◽  
Partial Least Squares Regression ◽  
Near Infrared ◽  
Association Studies ◽  
Extraction Procedure ◽  
Coefficient Of Determination ◽  
Least Squares Regression

The aim of this work was to use Fourier transform near infrared (FT-NIR) spectroscopy and partial least squares regression (PLSR) to estimate the oil content of individual Holm oak ( Quercus sp.) acorn kernels from different trees, sites and years that should be used in the future for molecular marker association studies. Sampling of acorns in two consecutive years (2003 and 2004) and from different sites in Portugal provided independent sample sets. A total of 89 samples (acorn kernels) representative of the natural oil content range were extracted. The results of the analyses performed by three people revealed accuracy of the oil extraction procedure ( n-hexane) and the precision (repeatability) of this method, assessed during a four-day period, gave a standard deviation of 0.1%. Careful wavenumber selection and several steps of validation of the PLSR models led to a final robust model that allowed the precise prediction of the oil content of individual acorns. By using the wavenumber ranges from 5995 to 5323 cm−1 and from 4478 to 4177 cm−1 of the vector normalised spectra, a PLSR model with a coefficient of determination ( r 2) of 0.992 and a root mean square error of cross-validation ( RMSECV) of 0.37% was achieved. The RPD value of about 10 and a bias of almost zero showed that the developed models are good for process control, development, and applied research. Oil content estimation of individual Quercus sp. acorns by FT-NIR and PLSR was shown to be possible. The varying water content detected in the spectra of the milled kernels after drying in similar conditions, within and especially between years, could be handled.

Rapid detection of infrared inactive sodium chloride content in frozen tuna fish for determining commercial value using short wavelengths

2019 ◽  
Vol 27 (6) ◽  
pp. 424-431 ◽  
Author(s):  
Suttahatai Pochanagone ◽  
Ronnarit Rittiron
Keyword(s):  
Sodium Chloride ◽  
Least Squares ◽  
Partial Least Squares ◽  
Rapid Detection ◽  
Partial Least Squares Regression ◽  
Near Infrared ◽  
Chloride Content ◽  
Coefficient Of Determination ◽  
Least Squares Regression ◽  
Tuna Fish

The sodium chloride content in the flesh of tuna fish is one of the factors for determining the price in the fishing industry. Titration is a standard method for the analysis of salt and this is time consuming. Near infrared spectroscopy is a potential alternative method for rapid detection without the need for wet chemical assay. Although sodium chloride is infrared inactive, this study investigated the influence of salt on the absorbance of near infrared energy and showed that the sodium chloride content can be determined using changes in the water band at 970 nm. Calibration equations were developed from frozen fish pieces and ground samples using multiple linear regression for the wavelength region of 700–1000 nm. The best result was achieved from frozen samples with a coefficient of determination for the calibration set ([Formula: see text]) = 0.71, standard error of calibration (SEC) = 0.20%, coefficient of determination for the validation set ([Formula: see text]) = 0.64, standard error of prediction (SEP) = 0.26% and bias = − 0.00%. In order to verify the significant variables used to determine infrared inactive sodium chloride, partial least squares regression was performed on frozen samples. The important variable in multiple linear regression and partial least squares regression was the absorbance band at 976 nm attributed to water molecules. The result from partial least squares calibration showed [Formula: see text] = 0.83, SEC = 0.20%, [Formula: see text] = 0.54, SEP = 0.25% and bias = 0.00%. The salt values predicted using the near infrared models were not significantly different from the reference values obtained by the standard titration method at the 95% confidence interval.

scholarly journals Rapid tannin profiling of tree fodders using untargeted mid-infrared spectroscopy and partial least squares regression

Plant Methods ◽  
2021 ◽  
Vol 17 (1) ◽  
Author(s):  
Jordi Ortuño ◽  
Sokratis Stergiadis ◽  
Anastasios Koidis ◽  
Jo Smith ◽  
Chris Humphrey ◽  
...  
Keyword(s):  
Infrared Spectroscopy ◽  
Least Squares ◽  
Partial Least Squares ◽  
Partial Least Squares Regression ◽  
Multivariate Calibration ◽  
Plant Ecology ◽  
Coefficient Of Determination ◽  
Least Squares Regression ◽  
Mid Infrared ◽  
Mid Infrared Spectroscopy

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.

scholarly journals Wood species identification from Atlantic forest by near infrared spectroscopy

2019 ◽  
Vol 28 (3) ◽  
pp. e015
Author(s):  
José-Henrique Camargo Pace ◽  
João-Vicente De Figueiredo Latorraca ◽  
Paulo-Ricardo Gherardi Hein ◽  
Alexandre Monteiro de Carvalho ◽  
Jonnys Paz Castro ◽  
...  
Keyword(s):  
Least Squares ◽  
Partial Least Squares ◽  
Atlantic Forest ◽  
Wood Species ◽  
Native Species ◽  
Partial Least Squares Regression ◽  
Near Infrared ◽  
Least Squares Regression ◽  
Planted Forests ◽  
Good Ability

Aim of study: Fast and reliable wood identification solutions are needed to combat the illegal trade in native woods. In this study, multivariate analysis was applied in near-infrared (NIR) spectra to identify wood of the Atlantic Forest species.Area of study: Planted forests located in the Vale Natural Reserve in the county of Sooretama (19 ° 01'09 "S 40 ° 05'51" W), Espírito Santo, Brazil.Material and methods: Three trees of 12 native species from homogeneous plantations. The principal component analysis (PCA) and partial least squares regression by discriminant function (PLS-DA) were performed on the woods spectral signatures.Main results: The PCA scores allowed to agroup some wood species from their spectra. The percentage of correct classifications generated by the PLS-DA model was 93.2%. In the independent validation, the PLS-DA model correctly classified 91.3% of the samples.Research highlights: The PLS-DA models were adequate to classify and identify the twelve native wood species based on the respective NIR spectra, showing good ability to classify independent native wood samples.Keywords: native woods; NIR spectra; principal components; partial least squares regression.

scholarly journals Hemodialysis monitoring using mid- and near-infrared spectroscopy with partial least squares regression

2018 ◽  
Vol 11 (7) ◽  
pp. e201700365 ◽  
Author(s):  
Raphael Henn ◽  
Christian G. Kirchler ◽  
Zora L. Schirmeister ◽  
Andreas Roth ◽  
Werner Mäntele ◽  
...  
Keyword(s):  
Infrared Spectroscopy ◽  
Least Squares ◽  
Partial Least Squares ◽  
Near Infrared Spectroscopy ◽  
Partial Least Squares Regression ◽  
Near Infrared ◽  
Least Squares Regression
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