Quantitative determination of aflatoxin B1 concentration in acetonitrile by chemometric methods using terahertz spectroscopy.

Aflatoxins contaminate and colonize agricultural products, such as grain, and thereby potentially cause human liver carcinoma. Detection via conventional methods has proven to be time-consuming and complex. In this paper, the terahertz (THz) spectra of aflatoxin B1 in acetonitrile solutions with concentration ranges of 1-50μg/ml and 1-50μg/l are obtained and analyzed for the frequency range of 0.4-1.6THz. Linear and nonlinear regression models are constructed to relate the absorption spectra and the concentrations of 160 samples using the partial least squares (PLS), principal component regression (PCR), support vector machine (SVM), and PCA-SVM methods. Our results indicate that PLS and PCR models are more accurate for the concentration range of 1-50μg/ml, whereas SVM and PCA-SVM are more accurate for the concentration range of 1-50μg/l. Furthermore, ten unknown concentration samples extracted from mildewed maize are analyzed quantitatively using these methods.

[1]  Christopher D. Stoik,et al.  Nondestructive evaluation of aircraft composites using transmissive terahertz time domain spectroscopy. , 2008, Optics express.

[2]  A. J. Taylor,et al.  Dielectric relaxation and underlying dynamics of acetonitrile and 1-ethyl-3-methylimidazolium triflate mixtures using THz transmission spectroscopy , 2002 .

[3]  Zhang Xi,et al.  Materials for terahertz science and technology , 2003 .

[4]  Jordi Coello,et al.  NIR calibration in non-linear systems: different PLS approaches and artificial neural networks , 2000 .

[5]  Elke Anklam,et al.  New Strategies for the Screening and Determination of Aflatoxins and the Detection of Aflatoxin-Producing Moulds in Food and Feed. , 2002 .

[6]  Isao Tomita,et al.  Quantitative measurements of amino acids by terahertz time-domain transmission spectroscopy. , 2006, Analytical chemistry.

[7]  Tatsuya Takagi,et al.  Application of partial least square on quantitative analysis of L-, D-, and DL-tartaric acid by terahertz absorption spectra. , 2008, Chemical & pharmaceutical bulletin.

[8]  B. Fischer,et al.  Uncertainty in terahertz time-domain spectroscopy measurement , 2008 .

[9]  M. Samuel,et al.  Degradation and detoxification of aflatoxin B1 by Pseudomonas putida , 2014 .

[10]  Hongjian Zhang,et al.  Quantitative determination of cyfluthrin in n-hexane by terahertz time-domain spectroscopy with chemometrics methods , 2009, 2009 IEEE Instrumentation and Measurement Technology Conference.

[11]  Joseph S. Melinger,et al.  The underlying terahertz vibrational spectrum of explosives solids , 2008 .

[12]  Peter Uhd Jepsen,et al.  Investigation of aqueous alcohol and sugar solutions with reflection terahertz time-domain spectroscopy. , 2007, Optics express.

[13]  Philippe C. Cattin,et al.  Automatic selection of a representative trial from multiple measurements using Principle Component Analysis. , 2012, Journal of biomechanics.

[14]  A. Soldado,et al.  Application of near infrared spectroscopy for rapid detection of aflatoxin B1 in maize and barley as analytical quality assessment , 2009 .

[15]  T. Herrman,et al.  Application of Raman spectroscopy for qualitative and quantitative analysis of aflatoxins in ground maize samples , 2014 .

[16]  Ji-Young Kim,et al.  Development of immunochromatography strip-test using nanocolloidal gold-antibody probe for the rapid detection of aflatoxin B1 in grain and feed samples. , 2007, Journal of microbiology and biotechnology.

[17]  J. Coutaz,et al.  A reliable method for extraction of material parameters in terahertz time-domain spectroscopy , 1996 .

[18]  Roohollah Noori,et al.  Evaluation of PCA and Gamma test techniques on ANN operation for weekly solid waste prediction. , 2010, Journal of environmental management.

[19]  F.M. Ham,et al.  Determination of glucose concentrations in an aqueous matrix from NIR spectra using optimal time-domain filtering and partial least-squares regression , 1997, IEEE Transactions on Biomedical Engineering.

[20]  B. Salleh,et al.  An overview of mycotoxin contamination in foods and its implications for human health , 2010 .

[21]  Dao-feng Liu,et al.  Rapid pretreatment and detection of trace aflatoxin B1 in traditional soybean sauce. , 2014, Food chemistry.

[22]  Andreas Manz,et al.  Terahertz-time domain spectroscopy for the detection of PCR amplified DNA in aqueous solution. , 2012, The Analyst.

[23]  S. Piletsky,et al.  Analytical methods for determination of mycotoxins: a review. , 2009, Analytica chimica acta.

[24]  Qiang Wang,et al.  PLS model investigation of thiabendazole based on THz spectrum , 2013 .

[25]  Colm P. O'Donnell,et al.  Terahertz time domain spectroscopy and imaging: Emerging techniques for food process monitoring and quality control , 2012 .

[26]  Guanglin Yang,et al.  A hybrid method to recognize 3D object. , 2013, Optics express.

[27]  P. Siegel.  Terahertz technology in biology and medicine , 2004, 2004 IEEE MTT-S International Microwave Symposium Digest (IEEE Cat. No.04CH37535).

[28]  Corinna Cortes,et al.  Support-Vector Networks , 1995, Machine Learning.

[29]  R. Barnes,et al.  Standard Normal Variate Transformation and De-Trending of Near-Infrared Diffuse Reflectance Spectra , 1989 .

[30]  Richard G. Brereton,et al.  Introduction to multivariate calibration in analytical chemistry , 2000 .

[31]  M. S. Butt,et al.  Aflatoxins: Biosynthesis, Occurrence, Toxicity, and Remedies , 2013, Critical reviews in food science and nutrition.

[32]  Mohammad Ali Abdoli,et al.  Prediction of municipal solid waste generation with combination of support vector machine and principal component analysis: A case study of Mashhad , 2009 .

[33]  Wenhui Fan,et al.  Broadband terahertz time-domain spectroscopy of drugs-of-abuse and the use of principal component analysis. , 2009, The Analyst.

[34]  X. Zhang,et al.  Direct characterization of terahertz radiation from the dynamics of the semiconductor surface field , 2000 .