Reply to "Comment on 'Identification of Edible Oils by Principal Component Analysis of 1H NMR Spectra"

被引:1
|
作者
Rovnyak, David [1 ]
Strein, Timothy G. [1 ]
机构
[1] Bucknell Univ, Chem Dept, Lewisburg, PA 17837 USA
关键词
Upper-Division Undergraduate; NMR Spectroscopy; Analytical Chemistry; Laboratory Instruction; Chemometrics;
D O I
10.1021/acs.jchemed.9b00557
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Additional student-acquired untargeted PCA data are presented, and potential variations on a NMR-based oil classification laboratory are discussed. While unambiguous sample identification is easily achieved without feature selection, the use of published peak lists is a viable alternate approach to variable reduction prior to PCA analysis. Individual instructors can evaluate whether an unbiased or a targeted approach best fits their pedagogical goals.
引用
收藏
页码:1793 / 1795
页数:5
相关论文
共 50 条
  • [31] StePSIM -: a method for stepwise peak selection and identification of metabolites in 1H NMR spectra
    Ammann, L. P.
    Merritt, M.
    METABOLOMICS, 2007, 3 (01) : 1 - 11
  • [32] StePSIM – a method for stepwise peak selection and identification of metabolites in 1H NMR spectra
    L. P. Ammann
    M. Merritt
    Metabolomics, 2007, 3 : 1 - 11
  • [33] Comparison of computational approaches for identification and quantification of urinary metabolites in 1H NMR spectra
    Cassiede, Marc
    Mercier, Pascal
    Shipley, Paul R.
    Dueck, Meghan
    Kamravaei, Samineh
    Nair, Sindhu
    Mino, James
    Pei, Lei
    Broadhurst, David
    Lacy, Paige
    Quemerais, Bernadette
    ANALYTICAL METHODS, 2018, 10 (18) : 2129 - 2137
  • [34] Metabolomic Profiling of Serum from Human Pancreatic Cancer Patients Using 1H NMR Spectroscopy and Principal Component Analysis
    Dong OuYang
    Jingjing Xu
    Heguang Huang
    Zhong Chen
    Applied Biochemistry and Biotechnology, 2011, 165 : 148 - 154
  • [35] Metabolomic Profiling of Serum from Human Pancreatic Cancer Patients Using 1H NMR Spectroscopy and Principal Component Analysis
    OuYang, Dong
    Xu, Jingjing
    Huang, Heguang
    Chen, Zhong
    APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY, 2011, 165 (01) : 148 - 154
  • [36] Analysis and identification of emulsifying viscosity reducer by FTIR and 1H NMR
    Zhu Hong
    Guan Run-ling
    Shen Jing-mei
    SPECTROSCOPY AND SPECTRAL ANALYSIS, 2007, 27 (01) : 74 - 77
  • [37] 1H NMR SPECTRA OF [(TRIMETHYLSILYL]METHYLAMINO]STANNANES
    SCHERER, OJ
    HORNIG, P
    JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1967, 8 (03) : 465 - &
  • [38] 1H NMR spectra as a characteristic of herbal preparations
    Thakur, Rajendra Singh
    Jayakrishnan, Neelima
    Das, Arun Kumar
    JOURNAL OF FOOD SCIENCE AND TECHNOLOGY-MYSORE, 2024,
  • [39] Features of the recording of the 1H NMR spectra of asphaltenes
    Kushnarev, D.F.
    Afonina, T.V.
    Kanitskaya, L.V.
    Kalabin, G.A.
    Solid Fuel Chemistry, 1989, 23 (03) : 25 - 29
  • [40] 1H NMR spectra of some amidrazone derivatives
    Bahceci, S
    Yüksek, H
    Ikizler, AA
    TURKISH JOURNAL OF CHEMISTRY, 1999, 23 (03): : 263 - 267