• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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• pp.1276-1276
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• 2001

Polycyclic aromatic hydrocarbons(PAHs) are widely distributed in the environment and are often implicated as potential carcinogens. The chromatographic methods of detection and quantitative determination of PAHs in environmental samples are costly, time consuming, and do not account for all kinds of PAHs. This work describes a quantitative spectroscopic method for the analysis of mixtures of eight PAHs using multivariate calibration models for Fourier transform near infrared(FT-NIR) spectral data. The NIR spectra of mixtures of PAHs (anthracene, pyrene, 1,2-benzanthracene, perylene, chrysene, benzo(a)pyrene, 1-methylanthracene and benzo(ghi)perylene) were measured in the wavelength range from 1100 nm to 2500 nm. The spectral data were processed using a partial least squares regression. We have studied the spectral characteristics of NIR spectra of mixtures of PAHs. It was possible to determine each PAM used in this study at the environmental level(mg L-1) in the laboratory samples. Further development may lead to the rapid determination of more PAHs in typical environmental samples.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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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.

• Near Infrared Analysis
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• v.1 no.2
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• pp.41-44
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• 2000

The objectives of this study are to discriminate the geographical origin and cultivation years of ginseng based on the near-infrared(NIR) reflectance spectroscopic analysis. Korea and China ginseng samples were prepared for discrimination of geographical origin. 4, 5 and 6 years-old ginseng samples from Korea were prepared for discrimination of cultivation years. Used spectrometer were InfraAlyzer 500, InfraAlyzer 400 and Fiber optic. Sample type of ginseng was 3, whole ginseng radix, slide section and powder type. The accuracy was affected by sample types and instruments. The accuracy for discrimination geographical origin was 97% in calibration model using IA 500 and ginseng powder. For discrimination of cultivation years, the model with slide selection using IA500 were relative accurate. The accuracy was 96.7% for 4-year, 91.3% for 5-year and 89.3% for 6-year old ginseng. The study shows that NIR spectroscopic analysis can be used to discriminate the geographical origin and cultivation years of ginseng with acceptable accuracy.

• Near Infrared Analysis
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• v.2 no.1
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• pp.43-53
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• 2001

A non-invasive spectroscopic method is presented for the measurement of pulmonary edema. Both early diagnosis and quantitative edema estimates were investigated. The spectroscopic determination of pulmonary edema involved the acquisition of diffuse reflectance spectra in the near-infrared (NIR) region with change in water concentration - water is the main constituent of edema fluid. Pulmonary edema was induced into the excised perfused lungs of seven animals by elevating the hydrostatic pressure. Estimates of edema were ascertained from a partial least squares regression of the measured spectral response. Actual edema was determined from the change (increase) in total lung weight. Estimates in relative lung weight increases due to in vitro edema were made with the near infrared spectra. The results revealed that fluid accumulation produced spectral changes in the O-H and C-H absorptions as well as scattering changes in the spectra. Histology of the lung was used to verify the presence or absence of interstitial and alveolar edema. Results demonstrated that near infrared spectroscopy might provide a new tool for clinical assessment of pulmonary edema.

• Near Infrared Analysis
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• v.2 no.1
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• pp.29-36
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• 2001

This review paper outlines modern pretreatment methods used in NIR spectroscopy. The pretreatment methods can be divided into four categories. One method in is noise reduction. Smoothing is a representative method for the noise reduction. Another is baseline correction. The second derivative and multiplicative scatter correction (MSC) are most frequently employed for baseline correction. The third is centering and normalization and the last is resolution enhancement. Difference spectra, mean centering and second derivative are used in NIR spectroscopy as resolution enhancement methods. In this paper advantages and drawbacks of pretreatment methods currently used in NIR spectroscopy are discussed with many examples of NIR spectra.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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• pp.1022-1022
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• 2001

To obtain accurate and repeatable analyses using NIR technology it is important to select an NIR instrument and / or its sample presentation attachments which allow the operator to minimize sampling errors without compromising the benefits of NIR analysis -namely rapid, low cost, minimal sample preparation, minimal structural facilities, minimal hazards. For each sample type and consistency there may be different optimal combinations of instrument, sample presentation attachment, and sample preparation. This paper will consider options available to NIR users in the area of plant and soil analysis and evaluate the potential benefits and disadvantages of crop nutrient diagnoses using laboratory based and airborne imaging techniques.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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• pp.1072-1072
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• 2001

The purpose of this research is to evaluate rapid determination of phosphorus in soils using NIR spectroscopy. The soil samples from the fields subject to different crops and land-use in Kyeongbook province, Korea were used to make the calibration and validation of the calibration set estimating phosphorus in soil. The NIR reflectance was scanned at 2nm intervals from 1100 to 2500nm with an InfraAlyzer 500 (Bran+Luebbe Co.). Various regression analyses were used to evaluate a NIRS method for determination of phosphorus in the soil. NIR absorption approach requires many soil samples to obtain optimal prediction. Applicability of NIR spectra technique may allow for the analysis of available soil phosphorus rapidly as well as total component within a few seconds.

• Asian-Australasian Journal of Animal Sciences
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• v.13 no.7
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• pp.1017-1025
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• 2000

The traditional methods for determining the quality of milk, cheese and meat are tedious and expensive, with a significant wastage of chemicals which pollute the environment. To overcome these disadvantages, the potential of near infrared spectrophotometry (NIR) for monitoring the quality of milk and meat has been evaluated by a number of researchers. While most studies indicate that NIR can be used to predict chemical composition of milk and meat, and to monitor the cutting-point during cheese manufacturing, one study demonstrated the potential of NIR to predict sensory characteristics (e.g. hardness and tenderness) of beef. These calibrations were developed on a small number of samples, limiting their value for adoption by the industries. Now that the sophisticated computer software is available, more robust calibrations need to be developed to monitor both chemical and physical characteristics of meat and meat products simultaneously.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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• pp.1630-1630
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• 2001

NIR specroscopy is widely used today as a quantitative technique for predicting the chemical composition of various agricultural product. However there exist few application for seed quality assessment, especially for seed germinability. This study is to show the possibilities of a nondestructive estimation of germinability in radish (Raphanus sativus L) seeds. The experiment carried out on one radish cultivar (Chung Su Gung Jung, Nong Woo Bio Co., Ltd.) harvested in 1993. NIR(Foss Co.) spectral measurements were carried out on the seeds surface of flat side. The seeds after spectral measurements were planted on blotter individually and observed germination. The seeds were characterized to nongermination and germination group, which in turn grouped to normal and abnormal germination and then compared with the NIR spectra. The spectra from these seed groups were compared each other, The result suggested that NIR spectra could be applicable to determine radish seeds germinability.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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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.