• Journal of The Korean Society of Grassland and Forage Science
• /
• v.33 no.3
• /
• pp.177-184
• /
• 2013

This work was conducted to assess the use of Near-infrared reflectance spectroscopy (NIRS) as a technique to analyze nutritional constituents of Distillers dried grain with solubles (DDGS) and corn quickly and accurately, and to apply an NIRS-based indium gallium arsenide array detector, rather than a NIRS-based scanning system, to collect spectra and induce and analyze calibration equations using equipment which is better suited to field application. As a technique to induce calibration equations, Partial Least Squares (PLS) was used, and for better accuracy, various mathematical transformations were applied. A multivariate outlier detection method was applied to induce calibration equations, and, as a result, the way of structuring a calibration set significantly affected prediction accuracy. The prediction of nutritional constituents of distillers dried grains with solubles resulted in the following: moisture ($R^2$=0.80), crude protein ($R^2$=0.71), crude fat ($R^2$=0.80), crude fiber ($R^2$=0.32), and crude ash ($R^2$=0.72). All constituents except crude fiber showed good results. The prediction of nutritional constituents of corn resulted in the following: moisture ($R^2$=0.79), crude protein ($R^2$=0.61), crude fat ($R^2$=0.79), crude fiber ($R^2$=0.63), and crude ash ($R^2$=0.75). Therefore, all constituents except for crude fat and crude fiber were predicted for their chemical composition of DDGS and corn through Near-infrared reflectance spectroscopy.

• The Korean Journal of Applied Statistics
• /
• v.34 no.3
• /
• pp.427-438
• /
• 2021

Two-stage sampling allows us to estimate population characteristics by both unit and cluster level together. Given a complex auxiliary information, integrated calibration weighting would better reflect the level-wise characteristics as well as multivariate characteristics between levels. This paper explored the integrated calibration weighting methods by Estevao and Särndal (2006) and Kim (2019) through a simulation study, where the efficiency of those weighting methods was compared using an artificial population data. Two weighting methods among others are shown efficient: single step calibration at the unit level with stacked individualized auxiliary information and iterative integrated calibration at each level. Under both methods, cluster calibrated weights are defined as the average of the calibrated weights of the unit(s) within cluster. Both were very good in terms of the goodness-of-fit of estimating the population totals of mutual auxiliary information between clusters and units, and showed small relative bias and relative mean square root errors for estimating the population totals of survey variables that are not included in calibration adjustments.

• Journal of the Optical Society of Korea
• /
• v.7 no.4
• /
• pp.240-244
• /
• 2003

Simultaneous determination of concentrations for four major components in human blood serum was investigated using a Fourier-transform mid-infrared spectroscopy. Infrared spectra of human blood serum were measured in 8.404 ∼ 10.25 ${\mu}m$ range where the highest absorption peaks of glucose are located. A partial least square (PLS) algorithm was utilized to establish a calibration model for determining total protein, albumin, globulin and glucose levels which are commonly measured metabolites. The standard error of cross validation obtained from our multivariate calibration model was 0.24 g/dL for total protein, 0.15 g/dL for albumin, 0.17 g/dL for globulin, and 6.68 mg/dL for glucose, which are comparable with or meet the criteria for clinical use. The results indicate that the infrared absorption spectroscopy can be used to predict the concentrations of clinically important metabolites without going through a chemical process with a reagent.

• Particle and aerosol research
• /
• v.18 no.4
• /
• pp.109-127
• /
• 2022

Recently, low-cost particulate matter (PM) sensors have been widely used in monitoring mass concentration. Maintaining the accuracy of the sensors is important and requires rigorous performance evaluation and calibration. In this study, two commercial low-cost PM sensors(LCS), Plantower PMS3003 and Plantower PMS7003, were evaluated in the laboratory and field with a reference-grade PM monitor (GRIMM 11-D). Laboratory evaluation was conducted with single/mixed particles of PSL (Poly Styrene Latex) in an acrylic chamber at 20℃ and relative humidity of 20%. Field evaluation was conducted inside a building of Yonsei University (Shinchon) from February 12 to March 31, 2022. In both evaluations, LCS measured values became different from reference measured values when the relative humidity was high or the outdoor air PM10/PM2.5 ratio was high. Based on the field evaluation, the LCS measured values were corrected through four different regression analysis models. As a result, the multivariate polynomial regression analysis model showed highest matching with the reference PM monitor (PM2.5 >0.9, PM10 >0.85). In this model, the PM10/PM2.5 ratio and relative humidity were chosen as independent variables.

• Communications for Statistical Applications and Methods
• /
• v.29 no.4
• /
• pp.471-486
• /
• 2022

Autoregressive moving average (ARMA) models involve nonlinearity in the model coefficients because of unobserved lagged errors, which complicates the likelihood function and makes the posterior density analytically intractable. In order to overcome this problem of posterior analysis, some approximation methods have been proposed in literature. In this paper we first review the main analytic approximations proposed to approximate the posterior density of ARMA models to be analytically tractable, which include Newbold, Zellner-Reynolds, and Broemeling-Shaarawy approximations. We then use the Kullback-Leibler divergence to study the relation between these three analytic approximations and to measure the distance between their derived approximate posteriors for ARMA models. In addition, we evaluate the impact of the approximate posteriors distance in Bayesian estimates of mean and precision of the model coefficients by generating a large number of Monte Carlo simulations from the approximate posteriors. Simulation study results show that the approximate posteriors of Newbold and Zellner-Reynolds are very close to each other, and their estimates have higher precision compared to those of Broemeling-Shaarawy approximation. Same results are obtained from the application to real-world time series datasets.

• Journal of the Korean Chemical Society
• /
• v.53 no.6
• /
• pp.717-726
• /
• 2009

Multivariate models were developed for the simultaneous spectrophotometric determination of copper (II), nickel (II) and zinc (II) in water with 1-(2-thiazolylazo)-2-naphthol as chromogenic reagent in the presence of Triton X-100. To overcome the drawback of spectral interferences, principal component regression (PCR) and partial least square (PLS) multivariate calibration approaches were applied. Performances were validated with several test sets, and their results were then compared. In general, no significant difference in analytical performance between PLS and PCR models. The root mean square error of prediction (RMSEP) using three components for $Cu^{2+}$, $Ni^{2+}$ and $Zn^{2+}$ were 0.018, 0.010, 0.011 ppm, respectively. Figures of merit such as sensitivity, analytical sensitivity, limit of detection (LOD) were also estimated. High reliability was achieved when the proposed procedure was applied to simultaneous determination of $Cu^{2+}$, $Ni^{2+}$ and $Zn^{2+}$ in synthetic mixture and tap water.

• Korean Journal of Agricultural Science
• /
• v.48 no.2
• /
• pp.299-310
• /
• 2021

Glycerol is a non-volatile compound with no aromatic properties that contributes significantly to the quality of wine by providing sweetness and richness of taste. In addition, it is also the third most significant byproduct of alcoholic fermentation in terms of quantity after ethanol and carbon dioxide. In this study, Fourier transform infrared (FT-IR) spectroscopy was employed as a fast non-destructive method in conjugation with multivariate regression analysis to build a model for the quantitative analysis of glycerol concentration in wine samples. The samples were prepared by using three varieties of red wine samples (i.e., Shiraz, Merlot, and Barbaresco) that were adulterated with glycerol in concentration ranges from 0.1 to 15% (v·v^-1), and subjected to analysis together with pure wine samples. A net analyte signal (NAS)-based methodology, called hybrid linear analysis in the literature (HLA/GO), was applied for predicting glycerol concentrations in the collected FT-IR spectral data. Calibration and validation sets were designed to evaluate the performance of the multivariate method. The obtained results exhibited a high coefficient of determination (R²) of 0.987 and a low root mean square error (RMSE) of 0.563% for the calibration set, and a R² of 0.984 and a RMSE of 0.626% for the validation set. Further, the model was validated in terms of sensitivity, selectivity, and limits of detection and quantification, and the results confirmed that this model can be used in most applications, as well as for quality assurance.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
• /
• 2001.06a
• /
• pp.4111-4111
• /
• 2001

When a drug is prepared in a tablet, the active component represents only a small portion of the dosage form. The other components of the formulation include materials to assist in the dissolution, antioxidants, coloring agents and bulk fillers. The tablets are tested using approved testing methods usually involving separation and subsequent quantification of the active component. Tablets may also be tested by near-Infrared Reflectance spectrometry (NIRS). In the present study, based on NIRS and multivariate calibration methods, a novel and precise method is developed for direct determination of ascorbic acid in vitamin C tablet. Two different tablet formulations were powdered in three different sizes, 63-125 ${\mu}{\textrm}{m}$, and examined. Spectral region of 4750-4950 $cm^{-1}$ / was used and optimized for quantitative operations. Partial least squares (PLS) and multiple linear regression (MLR) methods were performed for this spectral region. The results of optimized PLS and MLR methods showed that reproducibility increase with decreasing grain size and standard error of calibration (SEP) of less than 1% w/w of ascorbic acid and a correlation coefficient of 0.998 can be achieved. The PLS method showed better results than MLR. Seven overdose and underdose samples (prepared in the laboratory to match marketed products) were tested by proposed and iodometric standard methods. A correlation between NIRS predicted ascorbic acid values and iodomet.ic values was calculated ($R^2$=0.9950). Finally, the direct analysis of individual intact tablets in their unit-dose packages (Blistering in aluminum and PVC foils) obtained from market were also carried out and a correlation coefficient of 0.9989 and SEP of 0.931% w/w of ascorbic acid were achieved.

• Asian-Australasian Journal of Animal Sciences
• /
• v.18 no.5
• /
• pp.643-648
• /
• 2005

Near infrared reflectance spectroscopy (NIRS) has become increasingly used as a rapid, accurate method of evaluating some chemical constituents in cereal grains and forages. If samples could be analyzed without drying and grinding, then sample preparation time and costs may be reduced. This study was conducted to develop robust NIRS equations to predict fermentation quality of corn (Zea mays) silage and to select acceptable sample preparation methods for prediction of fermentation products in corn silage by NIRS. Prior to analysis, samples (n = 112) were either oven-dried and ground (OD), frozen in liquid nitrogen and ground (LN) and intact fresh (IF). Samples were scanned from 400 to 2,500 nm with an NIRS 6,500 monochromator. The samples were divided into calibration and validation sets. The spectral data were regressed on a range of dry matter (DM), pH and short chain organic acids using modified multivariate partial least squares (MPLS) analysis that used first and second order derivatives. All chemical analyses were conducted with fresh samples. From these treatments, calibration equations were developed successfully for concentrations of all constituents except butyric acid. Prediction accuracy, represented by standard error of prediction (SEP) and $R^2_{v}$ (variance accounted for in validation set), was slightly better with the LN treatment ($R^2$ 0.75-0.90) than for OD ($R^2$ 0.43-0.81) or IF ($R^2$ 0.62-0.79) treatments. Fermentation characteristics could be successfully predicted by NIRS analysis either with dry or fresh silage. Although statistical results for the OD and IF treatments were the lower than those of LN treatment, intact fresh (IF) treatment may be acceptable when processing is costly or when possible component alterations are expected.

• Journal of Biosystems Engineering
• /
• v.41 no.3
• /
• pp.208-220
• /
• 2016

Purpose: Fusel oil is a potent volatile aroma compound found in many alcoholic beverages. At low concentrations, it makes an essential contribution to the flavor and aroma of fermented alcoholic beverages, while at high concentrations, it induced an off-flavor and is thought to cause undesirable side effects. In this work, we introduce Fourier transform near-infrared (FT-NIR) spectroscopy as a rapid and nondestructive technique for the quantitative determination of fusel oil in the Korean alcoholic beverage "soju". Methods: FT-NIR transmittance spectra in the 1000-2500 nm region were collected for 120 soju samples with fusel oil concentrations ranging from 0 to 1400 ppm. The calibration and validation data sets were designed using data from 75 and 45 samples, respectively. The net analyte signal (NAS) was used as a preprocessing method before the application of the partial least-square regression (PLSR) and principal component regression (PCR) methods for predicting fusel oil concentration. A novel variable selection method was adopted to determine the most informative spectral variables to minimize the effect of nonmodeled interferences. Finally, the efficiency of the developed technique was evaluated with two different validation sets. Results: The results revealed that the NAS-PLSR model with selected variables ($R^2_{\upsilon}=0.95$, RMSEV = 100ppm) did not outperform the NAS-PCR model (($R^2_{\upsilon}=0.97$, RMSEV = 7 8.9ppm). In addition, the NAS-PCR shows a better recovery for validation set 2 and a lower relative error for validation set 3 than the NAS-PLSR model. Conclusion: The experimental results indicate that the proposed technique could be an alternative to conventional methods for the quantitative determination of fusel oil in alcoholic beverages and has the potential for use in in-line process control.