• 한국농업기계학회:학술대회논문집
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• 한국농업기계학회 2000년도 동계 학술대회 논문집
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• pp.457-463
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• 2000

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.1289-1289
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• 2001

Water-methanol and water-acetonitrile mixtures are frequently used as HPLC solvent system and strong hydrogen bonding is well-known. But a detailed aspect of water-methanol and/or water-acetonitrile mixtures have not been shown with direct spectral evidence. Recently, near infrared spectroscopy and chemometric data refinery have been successfully combined in many applications. On the basis of factor analytical methods, the spectral features of water-methanol and water-acetonitrile mixtures were studied to reveal the detail of mixtures. Water-methanol and water-acetonitrile mixtures were prepared with varying concentration of each constituent and near infrared spectral data were acquired in the range of 1100-2500nm with 2-nm interval. The data matrices were analysed with ITTFA(Iterative Target Transform Factor Analysis) algorithm implemented as MATLAB codes. As a result, the concentration profiles of water, methanol and water-methanol complex were resolved and the spectra of water-methanol complexes were calculated, which cannot be acquired with pure complexes. A similar result was obtained with NIR spectral data of water-acetonitrile mixtures. Moreover, pure spectra of hydrogen-bonding complexes of water-methanol and water-acetonitrile can be computed, while any other usual physical methods cannot isolated those complexes for acquiring pure component spectra.

• 대한약학회:학술대회논문집
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• 대한약학회 2003년도 Proceedings of the Convention of the Pharmaceutical Society of Korea Vol.2-2
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• pp.213.2-213.2
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• 2003

A simple analytical procedure using FT-NIR for the rapid determination of individual ingredients was evaluated. Direct measurements were made by reflection using a reflectance accessory, by transmittance using tablet accessory and turn table. FT-NIR spectral data were transformed to the first derivative. Partial Least Square Regression(PLSR) was applied to quantify near-infrared (NIR) spectra of 2 ingredients. These calibration models were cross-validated (leave-one-out approach). The prediction ability of the models was evaluated on ambroxol tablets and compared with the real values in manufacturing procedure. (omitted)

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.1247-1247
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• 2001

Constituents of animal biofluids such as milk, blood and urine contain information specifically related to metabolic and health status of the ruminant animals. Some changes in composition of biofluids can be attributed to disease response of the animals. Mastitis is a major problem for the global dairy industry and causes substantial economic losses from decreasing milk production and reducing milk quality. The purpose of this study was to investigate potential of NIRS combined with multivariate analysis for cow's mastitis diagnosis based on NIR spectra of milk, blood and urine. A total of 112 bulk milk, urine and blood samples from 4 Holstein cows were analyzed. The milk samples were collected from morning milking. The urine samples were collected before morning milking and stored at -35$^{\circ}C$ until spectral analysis. The blood samples were collected before morning milking using a catheter inserted into the carotid vein. Heparin was added to blood samples to prevent coagulation. All milk samples were analyzed for somatic cell count (SCC). The SCC content in milk was used as indicator of mastitis and as quantitative parameter for respective urine and blood samples collected at same time. NIR spectra of blood and milk samples were obtained by InfraAlyzer 500 spectrophotometer, using a transflectance mode. NIR spectra of urine samples were obtained by NIR System 6500 spectrophotometer, using 1 mm sample thickness. All samples were divided into calibration set and test set. Class variable was assigned for each sample as follow: healthy (class 1) and mastitic (class 2), based on milk SCC content. SIMCA was implemented to create models of the respective classes based on NIR spectra of milk, blood or urine. For the calibration set of samples, SIMCA models (model for samples from healthy cows and model for samples from mastitic cows), correctly classified from 97.33 to 98.67% of milk samples, from 97.33 to 98.61% of urine samples and from 96.00 to 94.67% of blood samples. From samples in the test set, the percent of correctly classified samples varied from 70.27 to 89.19, depending mainly on spectral data pretreatment. The best results for all data sets were obtained when first derivative spectral data pretreatment was used. The incorrect classified samples were 5 from milk samples,5 and 4 from urine and blood samples, respectively. The analysis of changes in the loading of first PC factor for group of samples from healthy cows and group of samples from mastitic cows showed, that separation between classes was indirect and based on influence of mastitis on the milk, blood and urine components. Results from the present investigation showed that the changes that occur when a cow gets mastitis influence her milk, urine and blood spectra in a specific way. SIMCA allowed extraction of available spectral information from the milk, urine and blood spectra connected with mastitis. The obtained results could be used for development of a new method for mastitis detection.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.1284-1284
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• 2001

The transesterification of molten ethylene/vinylacetate (EVA) copolymers by octanol as a reagent and sodium methoxide as a catalyst in an extruder has been monitored by on-line near infrared (NIR) spectroscopy. A total of 60 NIR spectra were acquired for 37 minutes with the last spectrum recorded 31 minutes after the addition of octanol and catalyst was stopped. The experimental spectra show strong baseline fluctuations which are corrected for by multiplicative scatter correction (MSC). The chemometric methods of orthogonal projection approach (OPA) and multivariate curve resolution (MCR) were used to resolve the spectra and to derive concentration profiles of the species. The detailed analysis reveals the absence of completely pure variables that leads to small errors in the calculation of pure spectra. The initial estimation of a concentration that is necessary as an input parameter for MCR also presents a non-trivial task. We obtained results that were not ideal but applicable for practical concentration control. They enable a fast monitoring of the process in real-time and resolve the spectra of the EVA copolymer and the ethylene/vinyl alcohol (EVAL) copolymer to be very close to the reference spectra. The chemometric methods used and the decomposed spectra are discussed in detail.

• Journal of Biosystems Engineering
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• 제26권2호
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• pp.169-176
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• 2001

Defect of apple was depreciated the product value and causes storage disease seriously. To detect the defect of ‘Fuji’apple with machine vision system, the optical characteristics of defect should be investigated. In this research, absorbance spectra of defect were acquired by spectrophotometer in the range of visible and NIR region(400∼1,100nm) and L*a*b* color values were also acquired by colorimeter. NIR machine vision system was constructed with B&W camera, frame grabber, 16 tungsten-halogen lamps, variable focal length lens and NIR bandpass filter which was mounted to lens outward. Average gray values of defect at 15 NIR wavelength were acquired and the significant NIR wavelength was selected by comparing Mahalanobis distance between sound and defective apple. As the result of Mahalanobis distance analysis, the significant wavelength to discriminate the defectives in ‘Fuji’apple were found to be 720nm for scab and 970nm for bruise and cuts and 920nm was also effective regardless of defective types.

• 약학회지
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• 제60권2호
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• pp.85-91
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• 2016

Drying of granules for tablet formulation is one of the important unit operations. The loss on drying method is traditionally used for this purpose. However, it is a time-consuming method, requiring at least 1 h. Moreover, it is ineffective in monitoring the moisture content of granules during the drying process. In this study, online real-time monitoring of moisture content during the drying process was successfully performed using near-infrared (NIR) spectroscopy. NIR spectra were collected during 15 different drying batches for developing a reliable NIR spectroscopic method. Such a large number of batches were used to develop a more robust partial least squares (PLS) model. NIR spectra collected from 12 batches were used for developing the model that was validated by predicting the moisture content of the samples in the remaining 3 batches. The standard errors of predictions (SEPs) in the measurement of batch 1, batch 2, and batch 3 were 0.52%, 0.57%, and 0.56%, respectively. The online NIR spectroscopic method developed in this study was reliable and accurate in monitoring the moisture content during the drying process.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.1126-1126
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• 2001

The paper presented here is the initial part of a larger study, in which it was determined which quality parameters in cheese powder could already be predicted by NIR at an early stage in the process and which could only be predicted at the final stages of the process. This initial study was performed in order to establish the levels and nature of variation within and between batches such that the subsequent data collection could be tackled optimally. The perspectives evolved into more than was originally planned and revealed some interesting uses of NIR-technology. Cheese powder production starts as a batch process, where waste cheese from other dairies is melted down in a vat. The process then turns into a continual process as the vat is emptied and the melted cheese is then filtered, homogenized, pasteurized and finally spray dried. Between each batch the powder is to a greater or lesser degree a mixture of 2 batches. This paper is divided into 2 aspects, one regarding the optimization of sampling time and the other is a study of process dynamics. Optimizing sampling time This initial study included 9 powder samples from 9 different batches produced during one day. The raw materials for the batches were chosen with the aim of creating a relatively high level of variation in the data. The total of 81 samples were taken out at regular intervals and spectra were collected on a NIR-systems 6500 instrument. The subsequent reduction of the data by PCA to score values shows the power of NIR as a tool to determine not only when samples are representative of a certain batch, but also which batches are stable enough to include in a further study. Studying process dynamics To take this experiment a step further 1 of the 81 samples were sent to the laboratory for further analyses. The samples were chosen on the criteria that they covered the spectral variation in the dataset. These samples were analysed for 4 chemical components and 5 physical attributes, which are essential for describing the quality of the product. The latent structure of the 7 samples, using the chemical and physical variables, is totally comparable to the latent structure of the NIR spectra. This outcome makes it possible to describe the dynamics of one day's production both chemically and physically with relatively little resources. Additionally it raises the question as to whether reference values are needed, as the latent structure of the NIR-spectra appears to be sufficient in providing information on the quality of the product. To be able to use NIR in this way would require defining quality limits in the principal component space as opposed to each of the reference values. The potential of NIR applied in an explorative fashion with batch processes opens a whole new gateway for the use of this technology. This study explains yet again after so many years in the field “why I'm crazy about NIR!”.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.1281-1281
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• 2001

Near-infrared (NIR) spectra have bean measured for high-density (HDPE), linear low-density (LLDPE), and low-density (LDPE) polyethylene in pellet or thin films. The obtained spectra have been analyzed by conventional spectroscopic analysis methods and chemometrics. By using the second derivative, principal component analysis (PCA), and two-dimensional (2D) correlation analysis, we could separate many overlapped bands in the NIR. It was found that the intensities of some bands are sensitive to density and crystallinity of PE. This may be the first time that such bands in the NIR region have ever been discussed. Correlations of such marker bands among the NIR spectra have also been investigated. This sort of investigation is very important not only for further understanding of vibration spectra of various of PE but also for quality control of PE by vibrational spectroscopy. Figure 1 (a) and (b) shows a NIR reflectance spectrum of one of the LLDPE samples and that of PE, respectively. Figure 2 shows a PC weight loadings plot of factor 1 for a score plot of PCA for the 16 kinds of LLDPE and PE based upon their 51 NIR spectra in the 1100-1900 nm region. The PC loadings plot separates the bands due to the $CH_3$ groups and those arising form the $CH_2$ groups, allowing one to make band assignments. The 2D correlation analysis is also powerful in band enhancement, and the band assignments based upon PCA are in good agreement with those by the 2D correlation analysis.(Figure omitted). We have made a calibration model, which predicts the density of LLDPE by use of partial least square (PLS) regression. From the loadings plot of regression coefficients for the model , we suggest that the band at 1542, 1728, and 1764 nm very sensitive to the changes in density and crystalinity.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.1192-1192
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• 2001

Usually there are many furnaces in a ethylene plant and the performance of total furnaces can be improved if that of each furnace is monitored and controlled. For this purpose real-time data for the effluent of each furnace is necessary. However, it is very difficult to analyze the total effluent stream of a ethylene furnace by real-time because it is composed of so many components including heavy hydrocarbons. Fortunately, component data for lighter hydrocarbons is much more important than that of heavier ones for ethylene furnace. In ordinary case, the on-line measurement of light hydrocarbons is performed by on-stream gas chromatography, after separating gas-phase part from effluent. The main and important components of gas-phase are Methane, Ethane, Ethylene, and Propylene. If we can use Near-infrared spectroscopy for measuring those components within good reproducibility, shorter analysis time, better repeatability, easier maintenance and lower cost will make Near-infrared (NIR) analyzer replace on-stream gas chromatography in this process. Although it is known to be very difficult to measure gas components because of very weak absorption in Near-infrared region, we have studied the feasibility of the application of NIR for the measurement of gas-phase hydrocarbon in the effluent of ethylene furnace. The samples were obtained from actual process and NIR spectra were collected over 1100 to 2500nm range. NIR spectra and calibrations showed and demonstrated the possibility of extending NIR spectroscopy to the measurement of gas-phase hydrocarbon in the effluent of ethylene furnace.