Squared Error Of Prediction Research Articles

Strategies for the quality control of Chrysanthemi Flos: Rapid quantification and end-to-end fingerprint conversion based on FT-NIR spectroscopy.

Chrysanthemi Flos (CF) is widely used as a natural medicine or tea. Due to its diverse cultivation regions, CF exhibits varying quality. Therefore, the quality and swiftness in evaluation holds paramount significance for CF. The aim of the study was to construct a comprehensive evaluation strategy for assessing CF quality using HPLC, near-infrared (NIR) spectroscopy, and chemometrics, which included the rapid quantification analyses of chemical components and the Fourier transform (FT)-NIR to HPLC conversion of fingerprints. A total of 145 CF samples were utilised for data collection via NIR spectroscopy and HPLC. The partial least squares regression (PLSR) models were optimised using various spectral preprocessing and variable selection methods to predict the chemical composition content in CF. Both direct standardisation (DS) and PLSR algorithms were employed to establish the fingerprint conversion model from the FT-NIR spectrum to HPLC, and the model's performance was assessed through similarity and cluster analysis. The optimised PLSR quantitative models can effectively predict the content of eight chemical components in CF. Both DS and PLSR algorithms achieve the calibration conversion of CF fingerprints from FT-NIR to HPLC, and the predicted and measured HPLC fingerprints are highly similar. Notably, the best model relies on CF powder FT-NIR spectra and DS algorithm [root mean square error of prediction (RMSEP) = 2.7590, R2 = 0.8558]. A high average similarity (0.9184) prevails between predicted and measured fingerprints of test set samples, and the results of the clustering analysis exhibit a high level of consistency. This comprehensive strategy provides a novel and dependable approach for the rapid quality evaluation of CF.

The effectiveness of multivariate and univariate spectrophotometric techniques for the concurrent estimation of ornidazole and ciprofloxacin HCl in tablet formulation and spiked serum: estimating greenness and whiteness profile

In this manuscript, the effectiveness of multivariate and univariate tools in conjunction with spectrophotometric techniques was evaluated for the concurrent analysis of ciprofloxacin (CI) and ornidazole (OR) in prepared mixtures, tablets, and human serum. The artificial neural network was chosen as the multivariate Technique. Bayesian regularization (trainbr) and Levenberg–Marquardt algorithms (trainlm), were constructed and trained using feed-forward back-propagation learning. The optimal logarithm was determined based on mean recovery, mean square error of prediction (MSEP), relative root mean square error of prediction (RRMSEP), and bias-corrected MSEP (BCMSEP) scores. Trainbr outperformed trainlm, yielding a mean recovery of 100.05% for CI and 99.84% for OR, making it the preferred algorithm. Fourier self-deconvolution and mean-centering transforms were chosen as the univariate Techniques. Fourier self-deconvolution was applied to the zero-order spectra of ciprofloxacin and ornidazole by electing an appropriate full width at half maximum, enhancing peak resolution at 380.1 nm and 314.2 nm for CI and OR, respectively. Mean centering transform was applied to CI and OR ratio spectra to eliminate constant signals, enabling accurate quantification of CI and OR at 272.0 nm and 306.2 nm, respectively. The introduced approaches were optimized and validated for precise CI and OR analysis, with statistical comparison against the HPLC method revealing no notable differences. The sustainability of these approaches was confirmed through the green certificate (modified eco-scale), AGP, and whiteness-evaluation tool, corroborating their ecological viability.

Laser-induced breakdown spectroscopy as an analytical tool for total carbon quantification in tropical and subtropical soils: evaluation of calibration algorithms

The demand for efficient, accurate, and cost-effective methods of measuring soil carbon (C) in agriculture is growing. Traditional approaches are time consuming and expensive, highlighting the need for alternatives. This study tackles the challenge of utilizing laser-induced breakdown spectroscopy (LIBS) as a more economical method while managing its potential accuracy issues due to physical–chemical matrix effects. A set of 1,019 soil samples from 11 Brazilian farms was analyzed using various univariate and multivariate calibration strategies. The artificial neural network (ANN) demonstrated the best performance with the lowest root mean square error of prediction (RMSEP) of 0.48 wt% C, a 28% reduction compared to the following best calibration method (matrix-matching calibration – MMC inverse regression and multiple linear regression – MLR at 0.67 wt% C). Furthermore, the study revealed a strong correlation between total C determined by LIBS and the elemental CHNS analyzer for soils samples in nine farms (R² ≥ 0.73). The proposed method offers a reliable, rapid, and cost-efficient means of measuring total soil C content, showing that LIBS and ANN modeling can significantly reduce errors compared to other calibration methods. This research fills the knowledge gap in utilizing LIBS for soil C measurement in agriculture, potentially benefiting producers and the soil C credit market. Specific recommendations include further exploration of ANN modeling for broader applications, ensuring that agricultural soil management becomes more accessible and efficient.

Combining mid-infrared spectroscopy and machine learning to estimate nutrient content in plant tissues of yerba mate (Ilex paraguariensis A. St. Hil.)

Mid-infrared diffuse reflectance spectroscopy with machine learning methods has been studied worldwide for estimating nutrient content in plant tissue of numerous plant species. Therefore, this study aimed to evaluate the best combination of spectral preprocessing and machine learning methods for estimating the concentration of chemical elements in leaf tissues of Ilex paraguariensis. From 2019 to 2021, 111 samples were collected from farms throughout Rio Grande do Sul State in southern Brazil. The total concentration of 11 nutrients (N, P, K, Ca, Mg, B, S, Mn, Fe, Cu, and Zn) and the spectra recorded in the mid-infrared range (2500– 18,000 nm) were obtained. The original spectrum underwent detrending, standard normal variate, and Savitzky-Golay derivative (SGD) spectral preprocessing. Multivariate partial least squares regression and support vector machine models were used to calibrate the spectra based on the nutrient concentrations obtained from the conventional analytical method. The models’ performance was evaluated using the coefficient of determination, the ratio of performance to the interquartile range, and the root mean square error of prediction. The support vector machine model combined with SGD preprocessing resulted in a more accurate prediction of the 11 elements studied in leaf tissue samples.

Gasoline quality prediction using the alternating conditional expectation (ACE) algorithm and ATR-FTIR

Accurate estimation of oxygenates is a critical issue in the quality evaluation of gasoline samples. This work aims to examine the nonparametric robust principal component analysis-alternating conditional expectation (rPCA-ACE) algorithm combined with FTIR spectroscopy as a rapid and accurate analytical method for predicting the quality of gasoline samples based on oxygenates content (methanol, methyl tert-butyl ether, and isobutanol). In the ACE algorithm, a set of optimal transformations is estimated for both the independent and dependent variables. These transformations reveal their non-linear relationships and generate a maximum linear effect between the transformed independent variables and the transformed response variable. In this study, the ACE algorithm was applied to an empirical gasoline dataset and considered a series of possible transformations of the independent and dependent variables to find the best transformations. Among all possible transformations, the ACE algorithm identified a series of polynomials and a nearly linear transformation as the best transformations for the independent and dependent variables, respectively. The regression statistics for calibration and prediction, including the correlation coefficient (Rcal2 = 0.9692), root mean square error of calibration (RMSEC = 2.8638), and root mean square error of prediction (RMSEP = 4.0498) (%v/v) for oxygenates content, were calculated. The ACE model showed improved regression results compared to the linear PLS model (Rcal2 = 0.9550, RMSEC = 3.9052, RMSEP = 5.1342) and PCR model (Rcal2 = 0.9160, RMSEC = 6.5330, RMSEP = 7.0270). By applying the ACE technique to the synthetic fully non-linear dataset obtained from the equation y′=exp(y) for the response variable, we demonstrated the power of the ACE algorithm in multivariate analysis and its ability to identify the exact functional relationship between independent and dependent variables to solve fully non-linear problems.

Fast quantitative analysis and chemical visualization of amylopectin and amylose in sweet potatoes via merging 1D spectra and 2D image

The quantitative analysis and spatial chemical visualization of amylopectin and amylose in different varieties of sweet potatoes were studied by merging spectral and image information. Three-dimensional (3D) hyperspectral images carrying 1D spectra and 2D images of hundreds of the samples (amylopectin, n = 644; amylose, n = 665) in near-infrared (NIR) range of 950–1650 nm (426 wavelengths) were acquired. The NIR spectra were mined to correlate with the values of the two indexes using a linear algorithm, generating a best performance with correlation coefficients and root mean square error of prediction (rP and RMSEP) of 0.983 and 0.847 g/100 mg for amylopectin, and 0.975 and 0.500 g/100 mg for amylose, respectively. Then, 14 % of the wavelengths (60 for amylopectin, 61 for amylopectin) were selected to simplify the prediction with rP and RMSEP of 0.970 and 1.103 g/100 mg for amylopectin, and 0.952 and 0.684 g/100 mg for amylose, respectively, comparable to those of full-wavelength models. By transferring the simplified model to original images, the color chemical maps were created and the differences of the two indexes in spatial distribution were visualized. The integration of NIR spectra and 2D image could be used for the more comprehensive evaluation of amylopectin and amylose concentrations in sweet potatoes.

GELU‐LSTM‐encoder‐decoder fault prediction for batch processes based on the global–local percentile method

AbstractFault prediction is a crucial strategy for ensuring the safety and efficiency of batch processes, and it aims to predict the degradation trend and isolate the fault. Operating mistakes or external environment changes can lead to the degradation of batch processes, eventually resulting in faults. The point at which degradation begins is known as the time to start prediction (TSP). Determining the TSP provides more reliable degradation information for fault prediction and enhances prediction accuracy. Nevertheless, it is difficult to obtain TSP in batch processes because of some complex data features, such as multi‐phase and strong dynamics, which result in a significant loss of fault prediction. To address these challenges, a fault prediction method is proposed based on the global–local percentile method applied to Gaussian error linear unit‐long short‐term memory‐encoder‐decoder (GELU‐LSTM‐encoder‐ED). Firstly, squared prediction error (SPE) is normalized to eliminate differences in data features. Secondly, a global–local percentile method is proposed to determine the TSP. The period is divided based on the threshold fluctuation to derive the model input. Then the global percentile model is employed to identify the interval to which the TSP belongs. Subsequently, the local percentile model is employed to analyze this interval and identify the TSP. Thirdly, the LSTM based on the encoder‐decoder model, enhanced with the GELU, is utilized to improve the performance of fault prediction. Finally, two fault datasets on the penicillin fermentation process and Escherichia coli fermentation process are employed to demonstrate the performance of the presented method compared with other shared methods.

Is It Possible to Measure the Quality of Sugarcane in Real-Time during Harvesting Using Onboard NIR Spectroscopy?

In-field quality prediction in agricultural products is mainly based on near-infrared spectroscopy (NIR). However, initiatives applied to sugarcane quality are only observed under laboratory-controlled conditions. This study proposed a framework for NIR spectroscopy sensing to measure sugarcane quality during a real harvest operation. A platform was built to support the system composed of the NIR sensor and external lighting on the elevator of a sugarcane harvester. Real-time data were acquired in commercial fields. Georeferenced samples were collected for calibration, validation, and adjustment of the multivariate models by partial least squares (PLS) regression. In addition, subsamples of defibrated cane were NIR-acquired for the development of calibration transfer models by piecewise direct standardization (PDS). The method allowed the adjustment of the spectra collected in real time to predict the quality properties of soluble solids content (Brix), apparent sucrose in juice (Pol), fiber, cane Pol, and total recoverable sugar (TRS). The results of the relative mean square error of prediction (RRMSEP) were from 1.80 to 2.14%, and the ratio of interquartile performance (RPIQ) was from 1.79 to 2.46. The PLS-PDS models were applied to data acquired in real-time, allowing estimation of quality properties and identification of the existence of spatial variability in quality. The results showed that it is possible to monitor the spatial variability of quality properties in sugarcane in the field. Future studies with a broader range of quality attribute values and the evaluation of different configurations for sensing devices, calibration methods, and data processing are needed. The findings of this research will enable a valuable spatial information layer for the sugarcane industry, whether for agronomic decision-making, industrial operational planning, or financial management between sugar mills and suppliers.

Quantitative detection of moisture content of corn by olfactory visualization technology

In this study, a novel method for quantitatively detecting the moisture content of corn by olfactory visualization technology is proposed. First of all, an olfactory visualization system was developed to obtain odor information of corn samples with varying moisture contents using sensor arrays. The sensor array was constructed with twelve chemical dyes, which helped assemble the system. Then, the RreliefF algorithm was utilized to sort the characteristic variables of the sensor image by weight, and the analytical model based on different combinations of input features was built using support vector regression (SVR). Moreover, the ability of three optimization algorithms, namely grid search (GS), particle swarm optimization (PSO) and dung beetle optimizer (DBO), was compared to determine their effectiveness in optimizing the parameters of the SVR model. The results reveal that the RreliefF-GS-SVR model demonstrates an enhanced correlation coefficient of prediction (RP), with an increase from 0.97 to 0.98, as well as the root mean square error of prediction (RMSEP), is reduced from 0.66% to 0.53% when compared to the GS-SVR model. Similarly, in comparison to the RreliefF-GS-SVR model and RreliefF-PSO-SVR model, the RreliefF-DBO-SVR model shows better predictive performance, with an increase in RP to 0.99 and a decrease in RMSEP to 0.25%. The comprehensive findings indicate that integrating olfactory visualization technology and multivariate analysis is feasible for conducting quantitative analysis of grain moisture content.

Simultaneous determination of tartrazine and auramine O using FTIR spectroscopy and partial least square

Nowadays, the use of colouring agents are needed to increase customers’ acceptability of foods. However, the development of food technology averts a big opportunity to use prohibited food colouring agents. Tartrazine (TAR) and Auramine O (AO) are two colouring agents may be used as food colorants. TAR is allowed, while AO is not allowed to be used in food colorants, respectively. For this study, the goal was to validate and apply Fourier transform infrared (FTIR) combined with multivariate calibrations for quantitative analysis of TAR and AO in beverages. An attenuated total reflectance FTIR scan of samples was performed at wavenumbers ranging from 4000-650 cm-1 . Quantitative analysis using FTIR spectroscopy was made by plotting the actual levels of TAR and AO obtained using HPLC and the prediction levels facilitated by partial least square (PLS) from the sample series. Internal cross-validation is performed on the model using the leave-one-out method. The root mean square error of prediction (RMSEP), the root mean square error of cross validation (RMSECV), the root mean square error of calibration (RMSEC), as well as the coefficient of determination (R2 ) become validation criteria. The results exhibited that calibration model was gained using variables of FTIR spectra at wavenumbers of 1730-1264 cm-1 . Correlation coefficients (r) of 0.9437 (TAR) and 0.9381 (FTIR) are present in the calibration model for the correlation of actual and predicted values. The method for analyzing tartrazine and auramine O in powdered beverages was validated using multivariate PLS FTIR calibration spectroscopy. FTIR spectroscopy could be further developed as an alternative technique for analysis of TAR and AO in beverages.

Adaptive modeling optimized by the data fusion strategy: Real-time dying cell percentage prediction using capacitance spectroscopy.

The previous research showcased a partial least squares (PLS) regression model accurately predicting cell death percentages using in-line capacitance spectra. The current study advances the model accuracy through adaptive modeling employing a data fusion approach. This strategy enhances prediction performance by incorporating variables from the Cole-Cole model, conductivity and its derivatives over time, and Mahalanobis distance into the predictor matrix (X-matrix). Firstly, the Cole-Cole model, a mechanistic model with parameters linked to early cell death onset, was integrated to enhance prediction performance. Secondly, the inclusion of conductivity and its derivatives over time in the X-matrix mitigated prediction fluctuations resulting from abrupt conductivity changes during process operations. Thirdly, Mahalanobis distance, depicting spectral changes relative to a reference spectrum from a previous time point, improved model adaptability to independent test sets, thereby enhancing performance. The final data fusion model substantially decreased root-mean squared error of prediction (RMSEP) by around 50%, which is a significant boost in prediction accuracy compared to the prior PLS model. Robustness against reference spectrum selection was confirmed by consistent performance across various time points. In conclusion, this study illustrates that the data fusion strategy substantially enhances the model accuracy compared to the previous model relying solely on capacitance spectra.

Non-destructive prediction of the total viable count (TVC) in Fujian oysters (Crassostrea angulata) based on the colorimetric sensor array

The total viable count (TVC) is a traditional method for evaluating seafood freshness. This study aimed to predict the TVC of Fujian oysters stored at 4℃ by using the colorimetric sensing array (CSA) technique combined with imaging and visible near-infrared (Vis-NIR) information channels. An optimal quantitative prediction model based on partial least squares (PLS) was established by combining feature variable selection with a data fusion strategy. All three data-fusion strategies showed better predictive performance than the individual datasets. The high-level fusion strategy performed the best, with a root mean square error of prediction (RMSEP) of 0.17, mean absolute error of prediction (MAEP) of 0.14, coefficient of determination of prediction (Rp2) of 0.9822, and residual prediction deviation (RPD) of 7.37. The experimental results showed that CSA combined with multiple detection channels could be effectively used to predict the TVC of Fujian oysters. In this study, a reliable and comprehensive evaluation model was established to achieve a rapid and accurate prediction of oyster freshness.

Developing a compact coal quality rapid detection integrated machine based on laser‐induced breakdown spectroscopy

AbstractCoal's calorific value and carbon content are crucial in calculating carbon emissions. Accurately detecting these two indicators is of great significance for carbon accounting. In this study, we developed a compact coal quality rapid detection integrated machine based on laser‐induced breakdown spectroscopy (LIBS), which can directly measure coal particle flow. A partial least squares model, based on data set selection according to cluster analysis results, was applied to establish the relationship between coal quality and plasma spectra. The R2 of the calorific value is .93, the root mean square error of prediction (RMSEP) is 0.41 MJ/kg, and the mean absolute error (MAE) is 0.33 MJ/kg. The R2 of carbon content is .94, the RMSEP is 0.97%, and the MAE is 0.91%. These results indicated that the developed compact coal quality rapid detection integrated machine could conduct precise coal quality analysis in real time.

Effective correction of dissolved organic carbon interference in nitrate detection using ultraviolet spectroscopy combined with the equivalent concentration offset method.

Nitrate contamination in water sources poses a substantial environmental and health risk. However, accurate detection of nitrate in water, particularly in the presence of dissolved organic carbon (DOC) interference, remains a significant analytical challenge. This study investigates a novel approach for the reliable detection of nitrate in water samples with varying levels of DOC interference based on the equivalent concentration offset method. The characteristic wavelengths of DOC were determined based on the first-order derivatives, and a nitrate concentration prediction model based on partial least squares (PLS) was established using the absorption spectra of nitrate solutions. Subsequently, the absorption spectra of the nitrate solutions were subtracted from that of the nitrate-DOC mixed solutions to obtain the difference spectra. These difference spectra were introduced into the nitrate prediction model to calculate the equivalent concentration offset values caused by DOC. Finally, a DOC interference correction model was established based on a binary linear regression between the absorbances at the DOC characteristic wavelengths and the DOC-induced equivalent concentration offset values of nitrate. Additionally, a modeling wavelength selection algorithm based on a sliding window was proposed to ensure the accuracy of the nitrate concentration prediction model and the equivalent concentration offset model. The experimental results demonstrated that by correcting the DOC-induced offsets, the relative error of nitrate prediction was reduced from 94.44% to 3.36%, and the root mean square error of prediction was reduced from 1.6108 mg L-1 to 0.1037 mg L-1, which is a significant correction effect. The proposed method applied to predict nitrate concentrations in samples from two different water sources shows a certain degree of comparability with the standard method. It proves that this method can effectively correct the deviations in nitrate measurements caused by DOC and improve the accuracy of nitrate measurement.

Trace level detection of melamine and cyanuric acid extracted from pet liquid food (milk) using a SERS Au nanogap substrate

This study reported an application of Au nanogap substrates for surface-enhanced Raman scattering (SERS) measurements to quantitatively analyze melamine and its derivative products at trace levels in pet liquid food (milk) combined with a waveband selection approach, namely variable importance in projection (VIP). Six different concentrations of melamine, cyanuric acid, and melamine combined with cyanuric acid were created, and SERS spectra were acquired from 550 to 1620cm−1. Detection was possible up to 200 pM for melamine-contaminated samples, and 400 pM concentration detection for other two groups. The VIP-PLSR models obtained correlation coefficient (R2) values of 0.997, 0.985, and 0.981, with root mean square error of prediction (RMSEP) values of 18.492 pM, 19.777 pM, and 15.124 pM for prediction datasets. Additionally, partial least square discriminant analysis (PLS-DA) was used to classify both pure and different concentrations of spiked samples. The results showed that the maximum classification accuracy for melamine was 100%, for cyanuric acid it was 96%, and for melamine coupled with cyanuric acid it was 95%. The results obtained clearly demonstrated that the Au nanogap substrate offers low-concentration, rapid, and efficient detection of hazardous additive chemicals in pet consuming liquid food.

Modelos matemáticos para ajustes na quantificação da volatilização de amônia do fertilizante ureia aplicado em pastagens tropicais

ABSTRACT: In Brazil, urea is the most used nitrogen (N) fertilizer to improve forage production. However, their excessive use can cause environmental impacts through N losses, such as ammonia (NH3) volatilization. Therefore, the current study adjusted and estimated the NH3 volatilization from urea applied on tropical pastures in three rainfall conditions using mathematical models. Data were collected from Marandu grass (Brachiaria brizantha) fertilized with 50 kg N ha-1 during wet, intermediate, and dry conditions. Ammonia volatilization was measured in five semi-open chambers for 21 days. The linear, quadratic, exponential, Gompertz, Groot, and Richards models were tested for fitting and estimating the NH3 volatilization. The Gompertz, Groot, and Richards models generated predictions similar to the observed data, with a high determination coefficient, indicating a better fit of these equations to data, with precision and accuracy. However, the Groot model was selected due to the lowest root mean square error of prediction (0.29 % total N lost as NH3). The greatest N loss as NH3 volatilization occurred in the wet, followed by intermediate and dry conditions (20.2, 17.0, and 11.3 % total N lost as NH3, respectively). Therefore, nitrogen losses as NH3 volatilization after application of 50 kg N ha-1, as urea source, are altered according to the weather conditions, reaching 20% of N added in the wet rainfall period. The Groot model is recommended for fitting and estimating the NH3 volatilization from urea applied on Marandu grass pastures in the wet and dry rainfall conditions.

Development of an in-line Raman analytical method for commercial-scale CHO cell culture process monitoring: Influence of measurement channels and batch number on model performance.

The mammalian cell culture process is a key step in commercial therapeutic protein production and needs to be monitored and controlled due to its complexity. Raman spectroscopy has been reported for cell culture process monitoring by analysis of many important parameters. However, studies on in-line Raman monitoring of the cell culture process were mainly conducted on small or pilot scale. Developing in-line Raman analytical methods for commercial-scale cell culture process monitoring is more challenging. In this study, an in-line Raman analytical method was developed for monitoring glucose, lactate, and viable cell density (VCD) in the Chinese hamster ovary (CHO) cell culture process during commercial production of biosimilar adalimumab (1500 L). The influence of different Raman measurement channels was considered to determine whether to merge data from different channels for model development. Raman calibration models were developed and optimized, with minimum root mean square error of prediction of 0.22gL-1 for glucose in the range of 1.66-3.53gL-1 , 0.08gL-1 for lactate in the range of 0.15-1.19gL-1 , 0.31 E6 cellsmL-1 for VCD in the range of 0.96-5.68 E6 cellsmL-1 on test sets. The developed analytical method can be used for cell culture process monitoring during manufacturing and meets the analytical purpose of this study. Further, the influence of the number of batches used for model calibration on model performance was also studied to determine how many batches are needed basically for method development. The proposed Raman analytical method development strategy and considerations will be useful for monitoring of similar bioprocesses.

Predicting fat cover in beef cattle to make on-farm management decisions: a review of assessing fat and of modeling fat deposition.

Demands of domestic and foreign market specifications of carcass weight and fat cover, of beef cattle, have led to the development of cattle growth models that predict fat cover to assist on-farm managers make management decisions. The objectives of this paper are 4-fold: 1) conduct a brief review of the biological basis of adipose tissue accretion, 2) briefly review live and carcass assessments of beef cattle, and carcass grading systems used to develop quantitative compositional and quality indices, 3) review fat deposition models: Davis growth model (DGM), French National Institute for Agricultural Research growth model (IGM), Cornell Value Discovery System (CVDS), and BeefSpecs drafting tool (BeefSpecsDT), and 4) appraise the process of translating science and practical skills into research/decision support tools that assist the Beef industry improve profitability. The r2 for live and carcass animal assessments, using several techniques across a range of species and traits, ranged from 0.61 to 0.99 and from 0.52 to 0.99, respectively. Model evaluations of DGM and IGM were conducted using Salers heifers (n = 24) and Angus-Hereford steers (n = 15) from an existing publication and model evaluations of CVDS and BeefSpecsDT were conducted using Angus steers (n = 33) from a research trial where steers were grain finished for 101 d in a commercial feedlot. Evaluating the observed and predicted fat mass (FM) is the focus of this review. The FM mean bias for Salers heifers were 7.5 and 1.3kg and the root mean square error of prediction (RMSEP) were 31.2 and 27.8kg and for Angus-Hereford steers the mean bias were -4.0 and -10.5kg and the RMSEP were 9.14 and 21.5kg for DGM and IGM, respectively. The FM mean bias for Angus steers were -5.61 and -2.93kg and the RMSEP were 12.3 and 13.4kg for CVDS and BeefSpecsDT, respectively. The decomposition for bias, slope, and deviance were 21%, 12%, and 68% and 5%, 4%, and 91% for CVDS and BeefSpecsDT, respectively. The modeling efficiencies were 0.38 and 0.27 and the models were within a 20kg level of tolerance 91% and 88% for CVDS and BeefSpecsDT, respectively. Fat deposition models reported in this review have the potential to assist the beef industry make on-farm management decisions on live cattle before slaughter and improve profitability. Modelers need to continually assess and improve their models but with a caveat of 1) striving to minimize inputs, and 2) choosing on-farm inputs that are readily available.

Determination of fumonisin content in maize using near-infrared hyperspectral imaging (NIR-HSI) technology and chemometric methods.

Maize (Zea mays L.) is of socioeconomic importance as an essential food for human and animal nutrition. However, cereals are susceptible to attack by mycotoxin-producing fungi, which can damage health. The methods most commonly used to detect and quantify mycotoxins are expensive and time-consuming. Therefore, alternative non-destructive methods are required urgently. The present study aimed to use near-infrared spectroscopy with hyperspectral imaging (NIR-HSI) and multivariate image analysis to develop a rapid and accurate method for quantifying fumonisins in whole grains of six naturally contaminated maize cultivars. Fifty-eight samples, each containing 40 grains, were subjected to NIR-HSI. These were subsequently divided into calibration (38 samples) and prediction sets (20 samples) based on the multispectral data obtained. The averaged spectra were subjected to various pre-processing techniques (standard normal variate (SNV), first derivative, or second derivative). The most effective pre-treatment performed on the spectra was SNV. Partial least squares (PLS) models were developed to quantify the fumonisin content. The final model presented a correlation coefficient (R2) of 0.98 and root mean square error of calibration (RMSEC) of 508 µg.kg-1 for the calibration set, an R2 of 0.95 and root mean square error of prediction (RMSEP) of 508 µg.kg-1 for the test validation set and a ratio of performance to deviation of 4.7. It was concluded that NIR-HSI with partial least square regression is a rapid, effective, and non-destructive method to determine the fumonisin content in whole maize grains.

Prediction of physical attributes in fresh grapevine (Vitis vinifera L.) organs using infrared spectroscopy and chemometrics

Spectra obtained from fresh grapevine organs provide information on chemical composition but could also contain valuable information on the morphological and physical attributes. The prediction of grapevine organs physical attributes using infrared spectroscopy is explored for the first time in this study. Near infrared spectroscopy (NIR) using a solid probe (NIR-SP) and a rotating integrating sphere (NIR-RS) and mid infrared (MIR) were used to obtain spectra from fresh and intact grapevine shoots, leaves, and berries. Linear partial least squares (PLS) and non-linear least absolute shrinkage and selection operator (LASSO), and extreme gradient boost (XGBoost) were implemented to predict relevant physical attributes in grapevine organs. NIR-RS using XGBoost showed coefficients of determination in validation (R2val) of 91.01% and root mean square error of prediction (RMSEP) of 0.71 mm (6.80%) for berry diameter. Shoot diameter was predicted at R2val of 62.08% and RMSEP at 0.82 mm (12.75%) using NIR-RS with LASSO regression. Monitoring these attributes throughout the growing season can lead to important viticultural information on grapevine yield, growth, and health.