• 제목/요약/키워드: Chemometrics

검색결과 59건 처리시간 0.031초

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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    • 제40권1호
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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.

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

  • 이철;채명준;김승원;강형태;이종두
    • 대한화학회지
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    • 제36권1호
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    • pp.113-124
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    • 1992
  • Chemometrics의 한 분야인 패턴인지(pattern recognition)법을 한국산 고대 유리시료 94종의 중성자방사화분석으로부터 얻은 다변수데이타에 적용하였다. unsupervised learning의 방법인 주성분분석과 비선형도시법으로 시료를 분류한 결과 유리시료는 6개의 군을 형성하였다. 6개의 참조시료셋트와 시험시료셋트에 supervised learning의 SIMCA법을 적용시켰다. 그 결과 참조시료셋트는 주성분분석법 및 비선형도시법의 결과와 일치하였고 시험시료셋트에서 33개의 시료 중 17개 시료에 대해 시료가 속한 군을 판정할 수 있었다.

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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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    • 제30권2호
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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
    • 한국작물학회지
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    • 제63권4호
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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
    • 한국근적외분광분석학회:학술대회논문집
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    • 한국근적외분광분석학회 2001년도 NIR-2001
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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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3D-IC 반도체 모듈의 내부결함 검사를 위한 초분광 영상기반 검출모듈 개발 (Development of hyperspectral image-based detection module for internal defect inspection of 3D-IC semiconductor module)

  • 홍석주;이아영;김기석
    • 한국농업기계학회:학술대회논문집
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    • 한국농업기계학회 2017년도 춘계공동학술대회
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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
    • 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.

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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
    • 한국근적외분광분석학회:학술대회논문집
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    • 한국근적외분광분석학회 2001년도 NIR-2001
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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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PMF모델을 이용한 대기 중 PM-10 오염원의 정량적 기여도 추정 (Estimation of Quantitative Source Contribution of Ambient PM-10 Using the PMF Model)

  • 황인조;김동술
    • 한국대기환경학회지
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    • 제19권6호
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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.

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

  • 윤정현;배선영;김건;이동선
    • 분석과학
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    • 제10권5호
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    • pp.362-369
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    • 1997
  • HPLC를 이용하여 생산지와 밀원꽃이 알려진 5종의 꿀 중 당성분을 분석한 다음 화학계량학적 고찰을 수행하였다. 꿀의 주된 당성분은 fructose, glucose였으며, 1종의 꿀에서는 sucrose가 소량 검출되었다. 산지별, 밀원꽃별로 당 함량을 비교하였다. Fructose/glucose 함량비는 0.99~1.55 범위로서 문헌값과 잘 일치하였다. Principal components analysis(PCA) plot은 산지별, 밀원꽃별로 확연히 구분되었다. 주성분점수가 커질수록 당 함량이 증가되었고 fructose/glucose 함량비는 감소되었다. 화학계량학적 접근방법은 꿀시료의 당조성 패턴을 비교하고 품질평가 및 부정화 적발에 유용하였다.

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