메뉴 건너뛰기




Volumn 7, Issue 2, 2011, Pages 179-190

Dynamic adaptive binning: An improved quantification technique for NMR spectroscopic data

Author keywords

Binning; Dynamic programming; Metabolomics; NMR; Quantification

Indexed keywords

ADAPTIVE BINNING; ADAPTIVE INTELLIGENT BINNING; ARTICLE; AUTOMATED PATTERN RECOGNITION; CLASSIFICATION ALGORITHM; COMPUTER PROGRAM; CONTROLLED STUDY; DYNAMIC ADAPTIVE BINNING; DYNAMIC PROGRAMMING; INFORMATION PROCESSING; METABOLITE; METABOLOMICS; MULTIVARIATE ANALYSIS; NONHUMAN; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PRINCIPAL COMPONENT ANALYSIS; PROTON NUCLEAR MAGNETIC RESONANCE; QUANTITATIVE ANALYSIS; SIGNAL PROCESSING; URINALYSIS; WAVELET ANALYSIS;

EID: 79957464825     PISSN: 15733882     EISSN: 15733890     Source Type: Journal    
DOI: 10.1007/s11306-010-0242-7     Document Type: Article
Times cited : (109)

References (49)
  • 3
    • 70449414650 scopus 로고    scopus 로고
    • Nuclear magnetic resonance synthetic validation sets
    • Available from
    • Anderson, P. E., Raymer, M. L., Kelly, B. J., Reo, N. V., DelRaso, N. J., & Doom, T. E. (2009) Nuclear magnetic resonance synthetic validation sets. Available from: http://birg. cs. wright. edu/nmr_synthetic_data_sets.
    • (2009)
    • Anderson, P.E.1    Raymer, M.L.2    Kelly, B.J.3    Reo, N.V.4    Del, R.N.J.5    Doom, T.E.6
  • 4
    • 51649116786 scopus 로고    scopus 로고
    • Gaussian binning: a new kernel-based method for processing NMR spectroscopic data for metabolomics
    • Anderson, P. E., Reo, N. V., DelRaso, N. J., Doom, T. E., & Raymer, M. L. (2008). Gaussian binning: A new kernel-based method for processing NMR spectroscopic data for metabolomics. Metabolomics, 4, 261-272.
    • (2008) Metabolomics , vol.4 , pp. 261-272
    • Anderson, P.E.1    Reo, N.V.2    Del, R.N.J.3    Doom, T.E.4    Raymer, M.L.5
  • 7
    • 0008740253 scopus 로고
    • Prediction of physical properties of hydrocarbon mixtures by partial-least-squares calibration of carbon-13 nuclear magnetic resonance data
    • Brekke, T., Kvalheim, O. M., & Sletten, E. (1989). Prediction of physical properties of hydrocarbon mixtures by partial-least-squares calibration of carbon-13 nuclear magnetic resonance data. Analytica Chimica Acta, 223, 123-134.
    • (1989) Analytica Chimica Acta , vol.223 , pp. 123-134
    • Brekke, T.1    Kvalheim, O.M.2    Sletten, E.3
  • 8
    • 0030195785 scopus 로고    scopus 로고
    • NMR spectral quantitation by principal-component analysis II.--determination of frequency and phase shifts
    • Brown, T. R., & Stoyanova, R. (1996). NMR spectral quantitation by principal-component analysis II.--determination of frequency and phase shifts. Journal of Magnetic Resonance. Series B, 112, 32-43.
    • (1996) Journal of Magnetic Resonance. Series B , vol.112 , pp. 32-43
    • Brown, T.R.1    Stoyanova, R.2
  • 12
    • 27644560273 scopus 로고    scopus 로고
    • Curve-fitting method for direct quantitation of compounds in complex biological mixtures using 1H NMR: application in metabonomic toxicology studies
    • Crockford, D. J., Keun, H. C., Smith, L. M., Holmes, E., & Nicholson, J. K. (2005). Curve-fitting method for direct quantitation of compounds in complex biological mixtures using 1H NMR: Application in metabonomic toxicology studies. Analytical Chemistry, 77, 4556-4562.
    • (2005) Analytical Chemistry , vol.77 , pp. 4556-4562
    • Crockford, D.J.1    Keun, H.C.2    Smith, L.M.3    Holmes, E.4    Nicholson, J.K.5
  • 16
    • 0037370286 scopus 로고    scopus 로고
    • Factors affecting the robustness of metabolite fingerprinting using 1H NMR spectra
    • Defernez, M., & Colquhoun, I. J. (2003). Factors affecting the robustness of metabolite fingerprinting using 1H NMR spectra. Phytochemistry, 62, 1009-1017.
    • (2003) Phytochemistry , vol.62 , pp. 1009-1017
    • Defernez, M.1    Colquhoun, I.J.2
  • 17
    • 0036007687 scopus 로고    scopus 로고
    • Metabolomics--the link between genotypes and phenotypes
    • Fiehn, O. (2002). Metabolomics--the link between genotypes and phenotypes. Plant Molecular Biology, 48, 155-171.
    • (2002) Plant Molecular Biology , vol.48 , pp. 155-171
    • Fiehn, O.1
  • 18
    • 0036643803 scopus 로고    scopus 로고
    • NMR and bayesian regularized neural network regression for impurity determination of 4-aminophenol
    • Forshed, J., Andersson, F. O., & Jacobsson, S. P. (2002). NMR and bayesian regularized neural network regression for impurity determination of 4-aminophenol. Journal of Pharmaceutical and Biomedical Analysis, 29, 495-505.
    • (2002) Journal of Pharmaceutical and Biomedical Analysis , vol.29 , pp. 495-505
    • Forshed, J.1    Andersson, F.O.2    Jacobsson, S.P.3
  • 21
    • 0025471102 scopus 로고
    • Pattern recognition analysis of high resolution 1H NMR spectra of urine. A nonlinear mapping approach to the classification of toxicological data
    • Gartland, K. P., Sanins, S. M., Nicholson, J. K., Sweatman, B. C., Beddell, C. R., & Lindon, J. C. (1990). Pattern recognition analysis of high resolution 1H NMR spectra of urine. A nonlinear mapping approach to the classification of toxicological data. NMR in Biomedicine, 3, 166.
    • (1990) NMR in Biomedicine , vol.3 , pp. 166
    • Gartland, K.P.1    Sanins, S.M.2    Nicholson, J.K.3    Sweatman, B.C.4    Beddell, C.R.5    Lindon, J.C.6
  • 22
    • 0034894692 scopus 로고    scopus 로고
    • Abnormal lipid profile of dystrophic cardiac tissue as demonstrated by one- and two-dimensional magic-angle spinning (1)H NMR spectroscopy
    • Griffin, J. L., Williams, H. J., Sang, E., & Nicholson, J. K. (2001). Abnormal lipid profile of dystrophic cardiac tissue as demonstrated by one- and two-dimensional magic-angle spinning (1)H NMR spectroscopy. Official Journal of the Society of Magnetic Resonance in Medicine, 46, 249.
    • (2001) Official Journal of the Society of Magnetic Resonance in Medicine , vol.46 , pp. 249
    • Griffin, J.L.1    Williams, H.J.2    Sang, E.3    Nicholson, J.K.4
  • 23
    • 0001710505 scopus 로고
    • Analysis of a complex of statistical variables into principal components
    • Hotelling, H. (1933). Analysis of a complex of statistical variables into principal components. Journal of Educational Psychology, 24, 417-441.
    • (1933) Journal of Educational Psychology , vol.24 , pp. 417-441
    • Hotelling, H.1
  • 25
    • 3543105596 scopus 로고    scopus 로고
    • Preprocessing of two-dimensional gel electrophoresis images
    • Kaczmarek, K., Walczak, B., de Jong, S., & Vandeginste, B. G. (2004). Preprocessing of two-dimensional gel electrophoresis images. Proteomics, 4, 2377.
    • (2004) Proteomics , vol.4 , pp. 2377
    • Kaczmarek, K.1    Walczak, B.2    de Jong, S.3    Vandeginste, B.G.4
  • 28
    • 0032694577 scopus 로고    scopus 로고
    • Metabonomics: understanding the metabolic responses of living systems to pathophysiological stimuli via multivariate statistical analysis of biological NMR spectroscopic data
    • Nicholson, J. K., Lindon, J. C., & Holmes, E. (1999). Metabonomics: Understanding the metabolic responses of living systems to pathophysiological stimuli via multivariate statistical analysis of biological NMR spectroscopic data. Xenobiotica, 29, 1181.
    • (1999) Xenobiotica , vol.29 , pp. 1181
    • Nicholson, J.K.1    Lindon, J.C.2    Holmes, E.3
  • 30
    • 0035886677 scopus 로고    scopus 로고
    • The use of wavelets for signal denoising in capillary electrophoresis
    • Perrin, C., Walczak, B., & Massart, D. L. (2001). The use of wavelets for signal denoising in capillary electrophoresis. Analytical Chemistry, 73, 4903-4917.
    • (2001) Analytical Chemistry , vol.73 , pp. 4903-4917
    • Perrin, C.1    Walczak, B.2    Massart, D.L.3
  • 31
  • 32
    • 0033795182 scopus 로고    scopus 로고
    • Metabonomics: evaluation of nuclear magnetic resonance (NMR) and pattern recognition technology for rapid in vivo screening of liver and kidney toxicants
    • Robertson, D. G., Reily, M. D., Sigler, R. E., Wells, D. F., Paterson, D. A., & Braden, T. K. (2000). Metabonomics: Evaluation of nuclear magnetic resonance (NMR) and pattern recognition technology for rapid in vivo screening of liver and kidney toxicants. Toxicological Sciences, 57, 326-337.
    • (2000) Toxicological Sciences , vol.57 , pp. 326-337
    • Robertson, D.G.1    Reily, M.D.2    Sigler, R.E.3    Wells, D.F.4    Paterson, D.A.5    Braden, T.K.6
  • 37
    • 0002301232 scopus 로고    scopus 로고
    • Metabonomic applications in toxicity screening and disease diagnosis
    • Shockcor, J. P., & Holmes, E. (2002). Metabonomic applications in toxicity screening and disease diagnosis. Current Topics in Medicinal Chemistry, 2, 35.
    • (2002) Current Topics in Medicinal Chemistry , vol.2 , pp. 35
    • Shockcor, J.P.1    Holmes, E.2
  • 40
    • 3042785758 scopus 로고    scopus 로고
    • Sample classification based on Bayesian spectral decomposition of metabonomic NMR data sets
    • Stoyanova, R., Nicholson, J. K., Lindon, J. C., & Brown, T. R. (2004b). Sample classification based on Bayesian spectral decomposition of metabonomic NMR data sets. Analytical Chemistry, 76, 3666-3674.
    • (2004) Analytical Chemistry , vol.76 , pp. 3666-3674
    • Stoyanova, R.1    Nicholson, J.K.2    Lindon, J.C.3    Brown, T.R.4
  • 42
    • 0027133151 scopus 로고
    • A new method for classification of wines based on proton and carbon-13 NMR spectroscopy in combination with pattern recognition techniques
    • Vogels, J. T. W. E., Tas, A. C., van den Berg, F., & van der Greef, J. (1993). A new method for classification of wines based on proton and carbon-13 NMR spectroscopy in combination with pattern recognition techniques. Chemometrics and Intelligent Laboratory Systems, 21, 249-258.
    • (1993) Chemometrics and Intelligent Laboratory Systems , vol.21 , pp. 249-258
    • Vogels, J.T.W.E.1    Tas, A.C.2    van den, B.F.3    van der, G.J.4
  • 43
    • 0001173405 scopus 로고    scopus 로고
    • Partial linear fit: A new NMR spectroscopy preprocessing tool for pattern recognition applications
    • Vogels, J. T. W. E., Tas, A. C., Venekamp, J., & van der Greef, J. (1996). Partial linear fit: A new NMR spectroscopy preprocessing tool for pattern recognition applications. Journal of Chemometrics, 10, 425-438.
    • (1996) Journal of Chemometrics , vol.10 , pp. 425-438
    • Vogels, J.T.W.E.1    Tas, A.C.2    Venekamp, J.3    van der, G.J.4
  • 46
    • 33644990748 scopus 로고    scopus 로고
    • H-NMR metabonomics analysis of sera differentiates between mammary tumor-bearing mice and healthy controls
    • 1
    • 1H-NMR metabonomics analysis of sera differentiates between mammary tumor-bearing mice and healthy controls. Metabolomics, 1, 269-278.
    • (2005) Metabolomics , vol.1 , pp. 269-278
    • Whitehead, T.L.1    Monzavi-Karbassi, B.2    Kieber-Emmons, T.3
  • 49
    • 33749861562 scopus 로고    scopus 로고
    • HiRes: a tool for comprehensive assessment and interpretation of metabolomic data
    • Zhao, Q., Stoyanova, R., Du, S., Sajda, P., & Brown, T. R. (2006). HiRes: A tool for comprehensive assessment and interpretation of metabolomic data. Bioinformatics, 22, 2562-2564.
    • (2006) Bioinformatics , vol.22 , pp. 2562-2564
    • Zhao, Q.1    Stoyanova, R.2    Du, S.3    Sajda, P.4    Brown, T.R.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.