• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.1529-1529
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• 2001

The watercore in apple is very important factor in storage and sorting of fruit. Most consumers tend to prefer the apple included watercore in immediately after harvest, however the watercore causes fruit flesh to brown during storage and lose the worth after all. But it is practically impossible to judge to the naked eye whether an apple has watercore or not. Therefore, the rapid, accurate and non-destructive analysis method for discrimination of watercore should be settled without delay. In this study we attempted the discrimination and quantitative analysis of watercore in apple fruit using near-infrared transmittance spectroscopy ‘Fuji’ apple fruits produced in Kyungpook of Korea was used in this experiment. The watercore content in apple was evaluated by graphic treatment of culled slice sections(10 mm). NIR transmittance spectra were collected over the 500 to 1000 nm spectral region with a spectrometer (Sentronic Co., Germany). The calibration models were carried out by partial least squares (PLS) analysis between NIR spectra data of apples and chemical data of watercore content. The spectra were different in absorbance between apple included watercore and not included one. Apple included watercore had higher absorption band than sample not included one at 732 and 820 nm. The calibration model seems to be accurate to predict the watercore content in apple fruit, the correlation coefficient (R) and root mean square error of prediction (RMSEP) were 0.99 and 0.93%, respectively. This result indicates that the PLSR calibration model by using NIR transmittance spectroscopy could be used for discrimination of watercore in apple fruit.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.1021-1021
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• 2001

Sample presentation, which means how to set samples to an NIR instrument, is very important in Near Infrared (NIR) Spectroscopy. When sample presentation is not suitable for the samples that you use, very good spectra can not be obtained even if you use a sophisticated NIR instrument. In my presentation, various NIR sample presentations for agricultural products such as intact fruits, single grains, vegetable juice and the others will be explained. In case of peaches with thin peel, the fiber optics of Interactance can be used. However, the fiber optics are not suitable for oranges with relatively thick peel. In this case, transmittance method is useful. As for a small sample such as single grains, a specially designed cell is needed. The cell in transmittance mode has been developed and then applied to single kernels of rice and soybean. In this case we also used the fiber optics. As regards liquid type of sample, a cuvette cell made of quartz in transmittance mode is popular. However, it is time-consuming to wash and dry it. In order to compensate this disadvantage the sample presentation using normal test tubes as sample cells have been developed and applied to milk, rumen juice and urine of a milking cow. An individual test tube can be used for each sample if you use the calibration equation with sample cell compensation. The test tube cell has also been applied to spinach juice for determination of undesirable constituents. It is concluded that sample presentation is most important for NIR Spectroscopy.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.3111-3111
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• 2001

The implementation of NIR and chemometrics in the Pharmaceutical industries is still in strong progress, both regarding qualitative and quantitative applications and beneficial results are seen. Looking at the development so far, NIR will change the pharmaceutical industry even more in the future. This presentation will address the experiences and progress achieved regarding the application and implementation of quantitative methods for determination of content uniformity and assay of tablets with less than 10% w/w of active, using Near Infrared transmittance spectroscopy in combination with PLS. Also qualitative methods for identification of the same tablets by Near Infrared reflectance spectroscopy will be discussed. Four commercial tablet strengths are formulated and produced from two different compositions by direct compression. Three different strengths are dose proportional, i.e. fixed concentration by varying in size. The aim was to replace the conventional primary methods for analysing content uniformity, assay and identification by NIR. Studies were performed on comparing transmittance versus reflectance spectroscopy for both applications on the dose proportional tablets. The model for determination of content uniformity and assay was developed to cover both coated and uncoated tablets, whereas the qualitative model was developed to identify coated tablets only. The impact of the tablet formulation, tablet size and coating, resulted in individual models far each composition The best calibration was achieved using diffuse reflectance for the identification purposes and diffuse transmittance for the quantitative determination of the active content within the tablets. As NIR in combination with other techniques opens up the possibility of total quality management within the production, the transfer of the above-mentioned models from a laboratory based approach to an at-line approach at H.Lundbeck will be addressed too.

• 약학회지
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• 제42권6호
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• pp.545-551
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• 1998

Near Infrared transmittance Spectroscopy (NIRS) was used to evaluate and quantify the pharmaceutical active compounds. In the paper, taurine (2-Aminoethanesulfonic acid) was quantitatively analyzed in commercial pharmaceutical preparations. For calibration a central composite factorial design was used to determine concentrations of ingredients in reference samples. For the quantitative analysis of taurine, the most suitable data analysis method includes the calculation of second derivatives and a partial least squares regression (PLSR) model. By NIR spectrometry, combined with PLSR, the taurine concentration was successfully predicted with a relative standard error of prediction (SEP) lower than 1.04%.

• 대한약학회:학술대회논문집
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• 대한약학회 2001년도 Proceedings of the Pharmaceutical Society of Korea
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• pp.107.2-108
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• 2001

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.1271-1271
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• 2001

Water pollutants in drainage mainly consist of organic compounds. Hence, total organic carbon (TOC), chemical oxygen demand (COD), and biochemical oxygen demand (BOD) were generally used as the indices of pollution. However, these values are determined by special analyzer (TOC), titration method (COD), or microbe culture (BOD). Therefore, the development of simple and easy methods for the determination of water pollution is required. The authors reported the evaluation of water pollution by near infrared (NIR) spectroscopy in a model system with food components (Takamura et al. (200) Near Infrared Spectroscopy: Proceedings of 9th International Conference, pp. 503-507). In this study, the relationship between NIR spectra and drainage was investigated in order to develop a method for evaluation of drainage by NIR. Drainage was obtained in Nara Purification Center. The ranges of TOC, COD, and BOD were 0-130, 0-100 and 0-200, respectively. NIR transmittance spectra were recorded on NIR Systems Model 6250 Research Composition Analyzer in the wavelength range of 680-1235 and 1100-2500 nm with a quartz cell (light path: 0.5, 1, 2, 4 and 10mm) at 10-40. Statistical analysis was performed using NSAS program. A partial least squares (PLS) regression analysis was used for calibration. As the result, a good correlation between the raw NIR spectra and OC was obtained in the calibration. The best light path was 10 and 0.5mm in the wavelength range of 680-1235 and 110-2500nm, respectively. In the calibration, correlation coefficients(R) were 096-0.97 in the both range. In the prediction, however, a good correlation (R=0.89-0.96) was obtained only in the range of 6801235 nm, Similar results were obtained in the cases of COD and BOD. These results suggest the possibility that NIR spectroscopy can be used to evaluate drainage.

• 약학회지
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• 제47권5호
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• pp.261-265
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• 2003

Near-infrared (NIR) system was used to determine rapidly and simply indomethacin in buffer solution for a dissolution test of tablets and capsules. Indomethacin standards were prepared ranging from 10 to 50 ppm using the mixture of phosphate buffer (pH 7.2) and water (1 : 4). The near-infrared (NIR) transmittance spectra of indomethacin standard solutions were collected by using a quartz cell in 1 mm and 2 mm pathlength. Partial least square regression (PLSR) was explored to develop calibration models over the spectral range 1100∼1700 nm. The model using 1 mm quartz cell was better than that using 2 mm quartz cell. The PLSR models developed gave standard error of prediction (SEP) of 0.858 ppm. In order to validate the developed calibration model, routine analysis was performed using another standard solutions. The NIR routine analysis showed good correlation with actual values. Standard error of prediction (SEP) is 1.414 ppm for 7 indomethacin samples in routine analysis and its error was permeable in the regulation of Korean Pharmacopoeia (VII). These results show the potential use of the real time monitoring for indomethacin during a dissolution test.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.1256-1256
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• 2001

The physico-chemical and texture characteristics of meat determine the nutritional, technological and sensory quality. However, the analysis of meat quality requires expensive, laborious and time consuming analytical methods. The objective of this study was to evaluate NIR spectroscopy using transmittance for determining the moisture, fat, protein and total pigment content, the water holding capacity (WHC) and the toughness of beef meat. A total of 318 spectra were recorded from ground beef samples by a Feed Analyzer 1265 of Infratec. The samples were obtained from the Longissimus muscle of the 10$^{th}$ rib of yearling bulls, ground with an electrical chopper, vacuum packaged, aged during 7 days and frozen at -24$^{\circ}C$ until the analyses were done. Moisture content was measured by oven drying at 10$0^{\circ}C$, fat content was determined by Soxhlet extraction and protein content was estimated from nitrogen content using the Kjeldahl analysis. The total pigment content was determined by the method of Hornsey and the WHC using the method of filter paper press. The instrumental evaluation of texture (maximum load WB, maximum stress MS and toughness) was conducted in an Instron equipment with a Warner-Bratzler shearing device. This analysis was performed on a chop of 3.5 cm obtained from the longissimus of the 8$^{th}$ rib, aged during 7 days, kept frozen at -24$^{\circ}C$ and cooked before the analysis. Near infrared spectra were recorded as log 1/T (T=transmittance) at 2 nm intervals from 850 to 1050 nm using a Feed Analyzer 1265 of Infratec. Calibrations were performed with the WinISI software (vs. 1.02) using the MPLS method. To examine the effect of scatter correction o. derivation of spectra on the calibration performance, calibrations were calculated with the crude spectra or pretreated with different mathematical treatments (inverse MSC, SNVD) and/or second derivative operation. For chemical composition, the use of the scatter corrections improved the calibration statistics, in terms of lower SECV and higher $r^2$. In most of the variables, the use of the 2$^{nd}$ derivative improved the predictions, mainly when combined with the SNVD treatment. However, for predicting the texture traits, the best estimation was obtained from the crude spectrum. These results showed that the equations obtained for predicting moisture, fat and total pigments were very accurate, with $r^2$ being higher that 0.9. However, the prediction of the texture traits (WB, MS, toughness) from ground meat was poor.

• Near Infrared Analysis
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• 제2권1호
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• pp.59-66
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• 2001

Nowadays, medical diagnostics is efficiently supported by clinical chemistry and near infrared spectroscopy is becoming a new dimension, which has shown high potential to provide valuable information for diagnosis. The investigation was carried out to study the influence of mammary gland inflammation, called mastitis, on cow´s milk spectra and milk composition measured by near infrared spectroscopy (NIRS). Milk somatic cell counts (SCC) in milk were used as a measure of mammary gland inflammation. Naturally occurred variations with milk composition within lactation and in the process of milking were included in the experimental design of this study. Time series of unhomogenized, raw milk spectral data were collected from 3 cow along morning and evening milking, for 5 consecutive months, within their second lactation. In the time of the trial, the investigated cows had periods with mammary gland inflammation. Transmittance spectra of 258 milk samples were obtained by NIRSystem 6500 spectrophotometer in 1100-2400 nm region. Calibration equations for the examined milk components were developed by PLS regression using 3 different sets of samples: samples with low somatic cell count (SCC), samples with high SCC and combined data set. The NIR calibration and prediction of individual cow´s milk fat, protein, and lactose were highly influenced by the presence of mil samples from animals with mammary gland inflammation in the data set. The best accuracy of prediction (i.e. the lower SEP and the higher correlation coefficient) for fat, protein and lactose was obtained for equations, developed when using only “healthy” samples, with low SCC. The standard error of prediction increased and correlation coefficient decreased significantly when equations for low SCC milk were used to predict examined components in “mastitis” samples with high SCC, and vice versa. Combined data set that included samples from healthy and mastitis animals could be used to build up regression models for screening. Further use of separate model for healthy samples improved milk composition measurement. Regression vectors for NIR mild protein measurement obtained for “healthy” and “mastitic” group were compared and revealed differences in 1390-1450 nm, 1500-1740 nm and 1900-2200 nm regions and thus illustrated post-secretory breakdown of milk proteins by hydrolytic enzymes that occurred with mastitis. For the first time it has been found that monitoring the spectral differences in water bands at 1440 nm and 1912 nm could provide valuable information for inflammation diagnosis.

• Journal of Biosystems Engineering
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• 제35권6호
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• pp.450-457
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• 2010

Although cherry tomato is one of major vegetables consumed in fresh vegetable market, the quality grading method is mostly dependant on size measurement using drum shape sorting machines. Using Visible/Near-infrared spectroscopy, apparatus to be able to acquire transmittance spectrum data was made and used to estimate firmness, sugar content, and acidity of cherry tomatoes grown at hydroponic and soil culture. Partial least square (PLS) models were performed to predict firmness, sugar content, and acidity for the acquired transmittance spectra. To enhance accuracy of the PLS models, several preprocessing methods were carried out, such as normalization, multiplicative scatter correction (MSC), standard normal variate (SNV), and derivatives, etc. The coefficient of determination ($R^2_p$) and standard error of prediction (SEP) for the prediction of firmness, sugar, and acidity of cherry tomatoes from green to red ripening stages were 0.859 and 1.899 kgf, with a preprocessing of normalization, 0.790 and $0.434^{\circ}Brix$ with a preprocessing of the 1st derivative of Savitzky Golay, and 0.518 and 0.229% with a preprocessing normalization, respectively.