• Title/Summary/Keyword: Chemometrics

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Spectroscopic Techniques for Nondestructive Detection of Fungi and Mycotoxins in Agricultural Materials: A Review

  • Min, Hyunjung;Cho, Byoung-Kwan
    • Journal of Biosystems Engineering
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    • v.40 no.1
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    • pp.67-77
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    • 2015
  • Purpose: Fungal secondary metabolite (mycotoxin) contamination in foods can pose a serious threat to humans and animals. Spectroscopic techniques have proven to be potential alternative tools for early detection of mycotoxins. Thus, the aim of this review is to provide an overview of the current developments in nondestructive food safety testing techniques, particularly regarding fungal contamination testing in grains, focusing on the application of spectroscopic techniques to this problem. Methods: This review focuses on the use of spectroscopic techniques for the detection of fungi and mycotoxins in agricultural products as reported in the literature. It provides an overview of the characteristics of the main spectroscopic methods and reviews their applications in grain analysis. Results: It was found that spectroscopy has advantages over conventional methods used for fungal contamination detection, particularly when combined with chemometrics. These advantages include the rapidness and nondestructive nature of this approach. Conclusions: While spectroscopy offers many benefits for the detection of mycotoxins in agricultural products, a number of limitations exist, which must be overcome prior to widespread adoption of these techniques.

Classification of Korean Ancient Glass Pieces by Pattern Recognition Method (패턴인지법에 의한 한국산 고대 유리제품의 분류)

  • Lee Chul;Czae Myung-Zoon;Kim Seungwon;Kang Hyung Tae;Lee Jong Du
    • Journal of the Korean Chemical Society
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    • v.36 no.1
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    • pp.113-124
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    • 1992
  • The pattern recognition methods of chemometrics have been applied to multivariate data, for which ninety four Korean ancient glass pieces have been determined for 12 elements by neutron activation analysis. For the purpose, principal component analysis and non-linear mapping have been used as the unsupervised learning methods. As the result, the glass samples have been classified into 6 classes. The SIMCA (statistical isolinear multiple component analysis), adopted as a supervised learning method, has been applied to the 6 training set and the test set. The results of the 6 training set were in accord with the results by principal component analysis and non-linear mapping. For test set, 17 of 33 samples were each allocated to one of the 6 training set.

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Direct Determination of Uric Acid in Human Serum Samples Using Polypyrrole Nanoelectrode Ensembles

  • Yang, Guangming;Tan, Lin;Shi, Ya;Wang, Suiping;Lu, Xuxiao;Bai, Huiping;Yang, Yunhui
    • Bulletin of the Korean Chemical Society
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    • v.30 no.2
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    • pp.454-458
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    • 2009
  • Polypyrrole (PPy) nanotubes have been synthesized by chemical oxidative polymerization of pyrrole within the pores of polycarbonate membrane using the technology of diffusion of solutes. The nanotubes array prepared by the proposed method can be considered as nanoelectrode ensembles (NEEs). An amperometric uric acid sensor based on PPy NEEs has been developed and used for determination of uric acid in human serum samples. The electrode can direct response to uric acid at potential of 0.60V vs. SCE with wide linear range of $1.52{\times}10^{-6}\;to\;1.54{\times}10^{-3}\;M.\;The\;detection\;limit\;is \;3.02{\times}10^{-7}$ M. This sensor has been used to determine uric acid in real serum samples. PPy NEEs is thought of as a good application in the foreground.

Comparison of 12 Isoflavone Profiles of Soybean (Glycine max (L.) Merrill) Seed Sprouts from Three Different Countries

  • Park, Soo-Yun;Kim, Jae Kwang;Kim, Eun-Hye;Kim, Seung-Hyun;Prabakaran, Mayakrishnan;Chung, Ill-Min
    • KOREAN JOURNAL OF CROP SCIENCE
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    • v.63 no.4
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    • pp.360-377
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    • 2018
  • The levels of 12 isoflavones were measured in soybean (Glycine max (L.) Merrill) sprouts of 68 genetic varieties from three countries (China, Japan, and Korea). The isoflavone profile differences were analyzed using data mining methods. A principal component analysis (PCA) revealed that the CSRV021 variety was separated from the others by the first two principal components. This variety appears to be most suited for functional food production due to its high isoflavone levels. Partial least squares discriminant analysis (PLS-DA) and orthogonal projections to latent structures discriminant analysis (OPLS-DA) showed that there are meaningful isoflavone compositional differences in samples that have different countries of origin. Hierarchical clustering analysis (HCA) of these phytochemicals resulted in clusters derived from closely related biochemical pathways. These results indicate the usefulness of metabolite profiling combined with chemometrics as a tool for assessing the quality of foods and identifying metabolic links in biological systems.

IDENTIFICATION OF GEOGRAPHICAL ORIGIN AND VARIETY OF GREEN COFFEE BY NIR

  • Nzabonimpa, Rukundo;Prodolliet, Jacques;Vouilloz, Annick
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1151-1151
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    • 2001
  • The international coffee trade is conducted almost exclusively with green coffee. The main coffee producing countries include Brazil, Columbia, Indonesia, Mexico and the Ivory Coast. About 99 % of the coffee grown throughout the world belong to two coffee plant varieties that are commonly known as Arabica and Robusta. The quality of green coffee can be assessed according to several ISO standards (1,2,3,4,5). However, no official international standards for the authenticity of green coffee have been issued. It is important to know the country of origin of the coffee for the purposes of fair international trade. The geographic origin of the coffee is often stated on the label of coffee products such as speciality roasted and soluble coffees. Near Infrared Spectroscopy (NIR) is an accepted technique for quantitative analysis of various parameters in routine QC analysis of food products. It would appear to be a promising candidate as a tool for identification of green coffee origin and numerous feasibility studies have appeared in the literature on its use for soluble, roasted and green coffee variety identification as well as identification of arabica or robusta coffees. NIR spectrophotometers when configured in the reflectance mode are able to perform a complete profile of the NIR spectrum on whole beans. The data can then be interpreted by discriminant chemometrics data analysis. This is the approach used in the present study.

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Development of hyperspectral image-based detection module for internal defect inspection of 3D-IC semiconductor module (3D-IC 반도체 모듈의 내부결함 검사를 위한 초분광 영상기반 검출모듈 개발)

  • Hong, Suk-Ju;Lee, Ah-Yeong;Kim, Ghiseok
    • Proceedings of the Korean Society for Agricultural Machinery Conference
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    • 2017.04a
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    • pp.146-146
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    • 2017
  • 현대의 스마트폰 및 태블릿pc등을 가능하게 만든 집적 기술 중의 하나는 3차원 집적 회로(3D-IC)와 같은 패키징 기술이다. 이러한 첨단 3차원 집적 기술은 메모리집적을 통한 대용량 메모리 모듈 개발뿐만 아니라, 메모리와 프로세서의 집적, high-end FPGA, Back side imaging (BSI) 센서 모듈, MEMS 센서와 ASIC 집적, High Bright (HB) LED 모듈 등에 적용되고 있다. 3D-IC의 3차원 모듈 제작 시에는 기존에 발생하지 않았던 여러 가지 파괴 모드들이 발생하고 있는데 Thermal/Photonic Emission 장비 등 기존의 2차원 결함분리 (Fault Isolation) 기술로는 첨단의 3차원 적층 제품들에서 발생하는 불량을 비파괴적으로 혹은 3차원적으로 분리하는 것이 불가능하므로, 비파괴 3차원 결함 분리 기술은 향후 선행 제품 적기 개발에 매우 필수적인 기술이다. 본 연구는 3D-IC 반도체의 비파괴적 내부결함 검사를 위하여 가시광선-근적외선 대역(351nm~1770nm)의 InGaAs (Indium Galium Arsenide) 계열 영상검출기 (imaging detector)를 사용하여 분광 시스템 광학 설계를 통한 초분광 영상 기반 검출 모듈을 제작하였다. 제작된 초분광 영상 기반 검출 모듈을 이용하여 구리 회로 위에 실리콘 웨이퍼가 3단 적층 된 반도체 더미 샘플의 초분광 영상을 촬영하였으며, 촬영된 초분광 영상에 대하여 Chemometrics model 기반의 분석기술을 적용하여 실리콘 웨이퍼 내부의 집적 구조에 대한 검사가 가능함을 확인하였다.

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FAST QUANTITATIVE AND QUALITATIVE ANALYSIS OF PHARMACEUTICAL TABLETS BY NIR

  • Nielsen, Line-Lundsberg;Charlotte Kornbo;Mette Bruhn
    • 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.

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THE COMBINATION OF CHEMOMETRICS AND 2D NIR CORRELATION SPECTROSCOPY IN THE ANALYSIS OF DENATURATION PROCESS

  • Czarnik-Matusewicz, Boguslawa;Murayama, Koichi;Wu, Yuqing;Ozaki, Yukihiro
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1286-1286
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    • 2001
  • Despite extensive theoretical and experimental studies the structure of the protein-solvent interface is subject of many controversy. Understanding the processes that occur in aqueous solution requires understanding of the solvent influence on the structure of protein. The aim of this study is to investigate the applicability of NIR methods in the study of hydration phenomena in protein solutions. Temperature-induced changes in NIR spectra of -lactoglobulin (BLG) in aqueous solutions have been investigated by means of two-dimensional correlation spectroscopy (2DCOS) and principal component analysis (PCA). With the temperature increase the balance of forces between the BLG's interaction with itself and the BLGs interaction with its environment is disrupted leading to BLG unfolding. Significant differences of 2D signals and distinct discrepancies of loading on PC1 and PC2 were observed as a result of temperature increase. In the native folded conformation of BLC, most of the nonpolar amino acids are hidden in the centre of the structure, out of contact with water molecules, while charged groups are outside, in the contact with water. The polar groups promote low density Ih-type structure in the water outside this first hydration shell. When BLG unfolds it assumes a more extended configuration on which the previously buried nonpolar groups are exposed to water and promote the higher density II-type structure outside its first shell. Detailed assignments of bands attributed to the bulk water, different states of the hydrated water and the changed conformation of BLG are proposed.

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Estimation of Quantitative Source Contribution of Ambient PM-10 Using the PMF Model (PMF모델을 이용한 대기 중 PM-10 오염원의 정량적 기여도 추정)

  • 황인조;김동술
    • Journal of Korean Society for Atmospheric Environment
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    • v.19 no.6
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    • pp.719-731
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    • 2003
  • In order to maintain and manage ambient air quality, it is necessary to identify sources and to apportion its sources for ambient particulate matters. The receptor methods were one of the statistical methods to achieve reasonable air pollution strategies. Also, receptor methods, a field of chemometrics, is based on manifold applied statistics and is a statistical methodology that analyzes the physicochemical properties of gaseous and particulate pollutant on various atmospheric receptors, identifies the sources of air pollutants, and quantifies the apportionment of the sources to the receptors. The objective of this study was 1) after obtaining results from the PMF modeling, the existing sources of air at the study area were qualitatively identified and the contributions of each source were quantitatively estimated as well. 2) finally efficient air pollution management and control strategies of each source were suggested. The PMF model was intensively applied to estimate the quantitative contribution of air pollution sources based on the chemical information (128 samples and 25 chemical species). Through a case study of the PMF modeling for the PM-10 aerosols, the total of 11 factors were determined. The multiple linear regression analysis between the observed PM-10 mass concentration and the estimated G matrix had been performed following the FPEAK test. Finally the regression analysis provided quantitative source contributions (scaled G matrix) and source profiles (scaled F matrix). The results of the PMF modeling showed that the sources were apportioned by secondary aerosol related source 28.8 %, soil related source 16.8%, waste incineration source 11.5%, field burning source 11.0%, fossil fuel combustion source 10%, industry related source 8.3%, motor vehicle source 7.9%, oil/coal combustion source 4.4%, non-ferrous metal source 0.3%. and aged sea- salt source 0.2%, respectively.

Chemometric Aspects and Determination of Sugar Composition of Honey by HPLC (HPLC에 의한 꿀 중의 당조성 분석과 화학계량학적 고찰)

  • Yoon, Jung-Hyeon;Bae, Sun-Young;Kim, Kun;Lee, Dong-Sun
    • Analytical Science and Technology
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    • v.10 no.5
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    • pp.362-369
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    • 1997
  • Chemometric technique was applied to the sugar composition in five honeys of known botanical or geographical origin following HPLC. Fructose and glucose were predominant carbohydrates in honeys, and small amount of sucrose was also detected in one sample. Sugar contents in honeys samples were compared by the geographical or botanical origin. Fructose/glucose ratio ranged from 0.99 to 1.55 was obtained and these results are in good agreement with the ratio of literature. The plot of principal components analysis(PCA) showed that different honey samples grouped into distinct cluster by the geographical or botanical origin. Increasing the first or second principal component score, higher amount of sugar or less fructose/glucose ratio was observed in PCA plot. Chemometric approach was very useful to provide pattern recognition of sugar profile or quality indices of honey sample and to detect adulteration.

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