• Korean Journal of Agricultural Science
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• v.46 no.2
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• pp.257-271
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• 2019

The use of food grade hexane (FGH) for edible oil extraction is responsible for the presence of benzene in the crude oil. Benzene is a Group 1 carcinogen and could pose a serious threat to the health of consumer. However, its detection still depends on classical methods using chromatography which requires a rapid non-destructive detection method. Hence, the aim of this study was to investigate the feasibility of using Fourier transform infrared (FTIR) spectroscopy combined with multivariate analysis to detect and quantify the benzene residue in edible oil (sesame and cottonseed oil). Oil samples were adulterated with varying quantities of benzene, and their FTIR spectra were acquired with an attenuated total reflectance (ATR) method. Optimal variables for a partial least-squares regression (PLSR) model were selected using the variable importance in projection (VIP) and the selectivity ratio (SR) methods. The developed PLS models with whole variables and the VIP- and SR-selected variables were validated against an independent data set which resulted in $R^2$ values of 0.95, 0.96, and 0.95 and standard error of prediction (SEP) values of 38.5, 33.7, and 41.7 mg/L, respectively. The proposed technique of FTIR combined with multivariate analysis and variable selection methods can detect benzene residuals in edible oils with the advantages of being fast and simple and thus, can replace the conventional methods used for the same purpose.

• Journal of agriculture & life science
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• v.53 no.3
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• pp.147-157
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• 2019

In this study, we tried to find out the most appropriate pre-processing method and to verify the feasibility of developing a low-price sensing system for predicting the hardy kiwis sugar content based on VNIRS and subsequent spectral analysis. A total of 495 hardy kiwi samples were collected from three farms in Muju, Jeollabukdo, South Korea. The samples were scanned with a spectrophotometer in the range of 730-2300 nm with 1 nm spectral sampling interval. The measured data were arbitrarily separated into calibration and validation data for sugar content prediction. Partial least squares (PLS) regression was performed using various combinations of pre-processing methods. When the latent variable (LV) was 8 with the pre-processing combination of standard normal variate (SNV) and orthogonal signal correction (OSC), the highest R2 values of calibration and validation were 0.78 and 0.84, respectively. The possibility of predicting the sugar content of hardy kiwi was also examined at spectral sampling intervals of 6 and 10 nm in the narrower spectral range from 730 nm to 1200 nm for a low-price optical sensing system. The prediction performance had promising results with R2 values of 0.84 and 0.80 for 6 and 10 nm, respectively. Future studies will aim to develop a low-price optical sensing system with a combination of optical components such as photodiodes, light-emitting diodes (LEDs) and/or lamps, and to locate a more reliable prediction model by including meteorological data, soil data, and different varieties of hardy kiwi plants.

• The Korean Journal of Pesticide Science
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• v.6 no.3
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• pp.209-217
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• 2002

Two different QSAR methods, the comparative molecular similarity indices analyses (CoMSIA) and hologram quantitative structure activity relationship (HQSAR) are studied for the fungicidal activities ($pI_{50}$) of 2-N-benzyl-5-phenoxy-3-isothiazolone derivatives against sensitive (SPC: 95CC7105) and resisitive (RPC: 95CC7303) phytophthora blight fungus (Phytaphthora capsici). According to the findings from these QSAR investigation, the cross-validation value, $q^2$ and Pearson correlation coefficient, $r^2$ in the two methods were CoMSIA: RPC; $q^2=0.675,\;r^2=0.942$, SPC; $q^2=0.350,\;r^2=0.876$ and HQSAR: RPC; $q^2=0.519,\;r^2=0.869$, SPC; $q^2=0.483,\;r^2=0.990$, respectively. Therefore, the two models of comparative statistical significance were obtained. From the CoMSIA contour maps, the important factors for selective fungicidal activity against RPC are to be expected that the lower hydrophobic and not bulkiness substituent as hydrogen bonding acceptor have to introduce to meta and para-position (C1-C6) on the phenoxy moiety. And the results of prediction suggest that HQSAR method showed higher fungicidal activity than CoMSIA method.

• Asia pacific journal of information systems
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• v.17 no.4
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• pp.207-228
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• 2007

Measuring Information Technology(IT) organizations' activities have been limited to mainly measure financial indicators for a long time. However, according to the multifarious functions of Information System, a number of researches have been done for the new trends on measurement methodologies that come with financial measurement as well as new measurement methods. Especially, the researches on IT Balanced Scorecard(BSC), concept from BSC measuring IT activities have been done as well in recent years. BSC provides more advantages than only integration of non-financial measures in a performance measurement system. The core of BSC rests on the cause-and-effect relationships between measures to allow prediction of value chain performance measures to allow prediction of value chain performance measures, communication, and realization of the corporate strategy and incentive controlled actions. More recently, BSC proponents have focused on the need to tie measures together into a causal chain of performance, and to test the validity of these hypothesized effects to guide the development of strategy. Kaplan and Norton[2001] argue that one of the primary benefits of the balanced scorecard is its use in gauging the success of strategy. Norreklit[2000] insist that the cause-and-effect chain is central to the balanced scorecard. The cause-and-effect chain is also central to the IT BSC. However, prior researches on relationship between information system and enterprise strategies as well as connection between various IT performance measurement indicators are not so much studied. Ittner et al.[2003] report that 77% of all surveyed companies with an implemented BSC place no or only little interest on soundly modeled cause-and-effect relationships despite of the importance of cause-and-effect chains as an integral part of BSC. This shortcoming can be explained with one theoretical and one practical reason[Blumenberg and Hinz, 2006]. From a theoretical point of view, causalities within the BSC method and their application are only vaguely described by Kaplan and Norton. From a practical consideration, modeling corporate causalities is a complex task due to tedious data acquisition and following reliability maintenance. However, cause-and effect relationships are an essential part of BSCs because they differentiate performance measurement systems like BSCs from simple key performance indicator(KPI) lists. KPI lists present an ad-hoc collection of measures to managers but do not allow for a comprehensive view on corporate performance. Instead, performance measurement system like BSCs tries to model the relationships of the underlying value chain in cause-and-effect relationships. Therefore, to overcome the deficiencies of causal modeling in IT BSC, sound and robust causal modeling approaches are required in theory as well as in practice for offering a solution. The propose of this study is to suggest critical success factors(CSFs) and KPIs for measuring performance for IT organizations and empirically validate the casual relationships between those CSFs. For this purpose, we define four perspectives of BSC for IT organizations according to Van Grembergen's study[2000] as follows. The Future Orientation perspective represents the human and technology resources needed by IT to deliver its services. The Operational Excellence perspective represents the IT processes employed to develop and deliver the applications. The User Orientation perspective represents the user evaluation of IT. The Business Contribution perspective captures the business value of the IT investments. Each of these perspectives has to be translated into corresponding metrics and measures that assess the current situations. This study suggests 12 CSFs for IT BSC based on the previous IT BSC's studies and COBIT 4.1. These CSFs consist of 51 KPIs. We defines the cause-and-effect relationships among BSC CSFs for IT Organizations as follows. The Future Orientation perspective will have positive effects on the Operational Excellence perspective. Then the Operational Excellence perspective will have positive effects on the User Orientation perspective. Finally, the User Orientation perspective will have positive effects on the Business Contribution perspective. This research tests the validity of these hypothesized casual effects and the sub-hypothesized causal relationships. For the purpose, we used the Partial Least Squares approach to Structural Equation Modeling(or PLS Path Modeling) for analyzing multiple IT BSC CSFs. The PLS path modeling has special abilities that make it more appropriate than other techniques, such as multiple regression and LISREL, when analyzing small sample sizes. Recently the use of PLS path modeling has been gaining interests and use among IS researchers in recent years because of its ability to model latent constructs under conditions of nonormality and with small to medium sample sizes(Chin et al., 2003). The empirical results of our study using PLS path modeling show that the casual effects in IT BSC significantly exist partially in our hypotheses.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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• pp.1527-1527
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• 2001

Glucose, fructose and sucrose being the main sugars that can be found in natural fruit juice. Many instrumental methods, such as GC, LC, electrochemical or spectrometric methods provide information about both the total content of sugars and the specific concentration of each carbohydrate[1]. The simplicity of sample handling and measurement in the near IR(NIR) wavelength region, which allows the use of long pathlength, optical glass cells and optical fibers, makes NIR a good alternative for sugar determination [2]. In the present study, six varieties of persian grapes were harvested at intervals through august to october and analysed for sugars by NIR. The results were processed by principal component regression (PCR) and partial least squares (PLS) analysis. Sample juice was prepared by squeezing through gauze from crashed grape. This solution was treated by zinc ferrocyanide prior to analysis in order to eliminate colored compounds and all optically active nonsugar substances. For glucose and fructose the most characteristic wavelengths were 1456nm corresponding to the first harmonic O-H stretching and the second at 2062nm corresponding to O-H stretching and deformation; secondary characteristic combination bands were also seen at 2265 nm (O-H and C-C stretching) and at 2240 nm (C-H and C-C stretching). However these spectra were taken over a wavelength range from 1100-2500nm at room temperature of 25-$30^{\circ}C$. To test the accuracy of the described procedure, samples of six varieties of grape were analysed by the proposed NIR and a standard method[2]. Good agreement were found between these two sets of the results. To perform the recovery studies , samples of grape juices previously analysed by the proposed method, were spiked with known amounts of each individual sugars and then analysed again. Relative standard deviations varied from 1.4 to 1.8% for six independent measurements of individual and total sugar concentration. In the analysis of real and synthetic samples, precise and accurate results were obtained , providing accuracy errors lower than 1.9% in all cases. Average recoveries of ${97}{\pm}{4%}$ for total sugar and between ${95}{\pm}{5%}$ and ${99}{\pm}{2%}$ for sing1e sugars demonstrate the applicability of the methodology developed to the direct analysis of grape Juice.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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• pp.1121-1121
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• 2001

A previous study (Berzaghi et al., 2001) evaluated the performance of 3 calibration methods, modified partial least squares (MPLS), local PLS (LOCAL) and artificial neural networks (ANN) on the prediction of the chemical composition of forages, using a large NIR database. The study used forage samples (n=25,977) from Australia, Europe (Belgium, Germany, Italy and Sweden) and North America (Canada and U.S.A) with reference values for moisture, crude protein and neutral detergent fibre content. The spectra of the samples were collected using 10 different Foss NIR Systems instruments, only some of which had been standardized to one master instrument. The aim of the present study was to evaluate the behaviour of these different calibration methods when predicting the same samples measured on different instruments. Twenty-two sealed samples of different kind of forages were measured in duplicate on seven instruments (one master and six slaves). Three sets of near infrared spectra (1100 to 2500nm) were created. The first set consisted of the spectra in their original form (unstandardized); the second set was created using a single sample standardization (Clone1); the third was created using a multiple sample procedure (Clone6). WinISI software (Infrasoft International Inc., Port Mathilda, PA, USA) was used to perform both types of standardization, Clone1 is just a photometric offset between a “master” instrument and the “slave” instrument. Clone6 modifies both the X-axis through a wavelength adjustment and the Y-axis through a simple regression wavelength by wavelength. The Clone1 procedure used one sample spectrally close to the centre of the population. The six samples used in Clone 6 were selected to cover the range of spectral variation in the sample set. The remaining fifteen samples were used to evaluate the performances of the different models. The predicted values for dry matter, protein and neutral detergent fibre from the master Instrument were considered as “reference Y values” when computing the statistics RMSEP, SEPC, R, Bias, Slope, mean GH (global Mahalanobis distance) and mean NH (neighbourhood Mahalanobis distance) for the 6 slave instruments. From the results we conclude that i) all the calibration techniques gave satisfactory results after standardization. Without standardization the predicted data from the slaves would have required slope and bias correction to produce acceptable statistics. ii) Standardization reduced the errors for all calibration methods and parameters tested, reducing not only systematic biases but also random errors. iii) Standardization removed slope effects that were significantly different from 1.0 in most of the cases. iv) Clone1 and Clone6 gave similar results except for NDF where Clone6 gave better RMSEP values than Clone1. v) GH and NH were reduced by half even with very large data sets including unstandardized spectra.

• The Korean Journal of Pesticide Science
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• v.6 no.2
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• pp.72-79
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• 2002

3D-QSAR between fungicidal activitives ($pI_{50}$) against metalaxyl-sensitive (SPC: 95CC7105) or metalaxyl-resisitant (RPC: 95CC7303) isolate of phytophthora blight fungus (Phytophthora capsici), and a set of 3-phenylisoxazole (A) and 3-phenyl-2,5-dihydroisoxazole (B) derivatives as substrates were conducted using comparative molecular field analyses (CoMFA). The antifungal activities of (A) were generally higher than those of (B). And it is assumed that the most stable conformation of the active substrate was approximately planar from conformational search. The CoMFA models proved a good predictive ability and suggested that the electronic field of substrates were higher than hydropohobic field and steric field requirements for recognition forces of the receptor site. And the factors were strongly correlated (cross-validated $q^2>0.570$ & conventional $r^2>0.968$) with the fungicidal activitives. According to the CoMFA analyses, the selectivity factors for RPC suggested that the sterically bulky groups (C14 & C15) and electron withdrawing groups (C15 & C16) have to be introduced to the ortho, meta and para-position on the benzoyl moiety of substrates.

• Journal of The Korean Society of Grassland and Forage Science
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• v.39 no.4
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• pp.292-297
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• 2019

In this study, whole crop rice samples were used to develop near-infrared reflectance (NIR) equations to estimate six forage quality parameters: Moisture, crude protein (CP), neutral detergent fiber (NDF), acid detergent fiber (ADF), Ash and relative feed value (RFV). A population of 564 whole crop rice representing a wide range in chemical parameters was used in this study. Undried finely chopped whole crop rice samples were scanned at 1 nm intervals over the wavelength range 680-2500 nm and the optical data recorded as log 1/Reflectance (log 1/R). NIRS calibrations were developed by means of partial least-squares (PLS) regression. The correlation coefficients of cross-validation (R²_cv) and standard error of cross-validation (SECV) for whole crop rice calibration were 0.98 (SECV 1.81%) for moisture, 0.89 (SECV 0.50%) for CP, 0.86 (SECV 1.79%) for NDF, 0.89 (SECV 0.86%) for ash, and 0.84 (SECV 5.21%) for RFV on a dry matter (%), respectively. The NIRS calibration equations developed in this study will be useful in predicting whole crop rice quality for these six quality parameters.

• Journal of The Korean Society of Grassland and Forage Science
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• v.31 no.4
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• pp.415-422
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• 2011

This study evaluated the feasibility of using a portable near infrared reflectance spectrometer working in the 900~1,600 nm range for the measurement of quality-related parameters (moisture, pH, Acid detergent fiber (ADF), Neutral detergent fiber (NDF), Crude protein (CP), lactic acid) in intact silage. The calibration result for the Phazir (handheld, Polychromix) was compared with the result for the Spectrastar (Lab. based, Unity). A total of 67 Italian ryegrass silages were used to build calibration models using different spectral signal pre-treatments and the partial least squares regression (PLS) method. The good calibration statistics in two instruments was obtained for moisture content of Italian ryegrass silages with over $R^2$ = 0.95. The Phazir spectrometer was less accurate in measuring of ADF, NDF and CP contents. The Spectrastar instrument yielded greater precision for pH and lactic acid content; statistic values were over $R^2$ = 0.82 and the standard error of calibration (SEC) = 0.21% and 0.24%. Thus, the NIR measurement of forage quality in the field by portable NIR analyzers was shown not to be feasible, but additional investigations are required to discern the key instrumental and operational parameters that may influence the portable NIR measurement.

• Journal of The Korean Society of Grassland and Forage Science
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• v.41 no.1
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• pp.29-34
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• 2021

Near infrared reflectance spectroscopy (NIRS) is routinely used for the determination of nutrient components of forages. However, little is known about the impact of sample preparation and wavelength on the accuracy of the calibration to predict minerals. This study was conducted to assess the effect of sample preparation and wavelength of near infrared spectrum for the improvement of calibration and prediction accuracy of Calcium (Ca) and Phosphorus (P) in imported hay using NIRS. The samples were scanned in reflectance in a monochromator instrument (680-2,500 nm). Calibration models (n = 126) were developed using partial least squares regression (PLS) based on cross-validation. The optimum calibrations were selected based on the highest coefficients of determination in cross validation (R2) and the lowest standard error of cross-validation (SECV). The highest R2 and the lowest SECV were obtained using oven-dry grinded sample preparation and 1,100-2,500 nm wavelength. The calibration (R2) and SECV were 0.99 (SECV: 468.6) for Ca and 0.91 (SECV: 224.7) for P in mg/kg DM on a dry weight, respectively. Results of this experiment showed the possibility of NIRS method to predict mineral (Ca and P) concentration of imported hay in Korea for routine analysis method to evaluate the feed value.