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  1. Article ; Online: Data Preprocessing Method for the Analysis of Spectral Components in the Spectra of Mixtures.

    Jackson, Richard S / Wang, Qian / Lien, John

    Applied spectroscopy

    2021  Volume 76, Issue 1, Page(s) 81–91

    Abstract: This paper describes a data preprocessing algorithm that can be used to mitigate the effects of interfering spectral components when the goal is to detect the spectrum of unknown components in a mixture of known components or to verify the presence of ... ...

    Abstract This paper describes a data preprocessing algorithm that can be used to mitigate the effects of interfering spectral components when the goal is to detect the spectrum of unknown components in a mixture of known components or to verify the presence of suspected components in the spectrum of a mixture of known components. The algorithm is both relatively simple and applicable to a wide range of problems in spectroscopy. The range of applicability can be increased by combining the method with other data preprocessing methods, for example derivative spectra, and can also accommodate variability in the spectra of one or more of the known components. Examples of the application of the algorithm to real problems are given for near-infrared analysis of antibiotic drug formulations inside gelatin capsules and mid-infrared analysis of atmospheric pollutants.
    MeSH term(s) Algorithms ; Spectroscopy, Near-Infrared
    Language English
    Publishing date 2021-09-10
    Publishing country United States
    Document type Journal Article
    ISSN 1943-3530
    ISSN (online) 1943-3530
    DOI 10.1177/00037028211042903
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article: Efficacy and tolerability of divalproex extended release in psychiatric patients.

    Jackson, Richard S / Venkataraman, Sanjeev / Atkins, Richard B / Owens, Mark

    Annals of clinical psychiatry : official journal of the American Academy of Clinical Psychiatrists

    2006  Volume 18, Issue 4, Page(s) 273–274

    MeSH term(s) Adult ; Aged ; Anticonvulsants/administration & dosage ; Anticonvulsants/adverse effects ; Antimanic Agents/administration & dosage ; Antimanic Agents/adverse effects ; Bipolar Disorder/drug therapy ; Delayed-Action Preparations ; Female ; Humans ; Male ; Middle Aged ; Prospective Studies ; Psychotic Disorders/drug therapy ; Valproic Acid/administration & dosage ; Valproic Acid/adverse effects
    Chemical Substances Anticonvulsants ; Antimanic Agents ; Delayed-Action Preparations ; Valproic Acid (614OI1Z5WI)
    Language English
    Publishing date 2006-10
    Publishing country United States
    Document type Letter
    ZDB-ID 1025337-3
    ISSN 1547-3325 ; 1040-1237
    ISSN (online) 1547-3325
    ISSN 1040-1237
    DOI 10.1080/10401230600948548
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

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  3. Article: Accurate wavelength measurements of a putative standard for near-infrared diffuse reflection spectrometry.

    Isaksson, Tomas / Yang, Husheng / Kemeny, Gabor J / Jackson, Richard S / Wang, Qian / Alam, M Kathleen / Griffiths, Peter R

    Applied spectroscopy

    2003  Volume 57, Issue 2, Page(s) 176–185

    Abstract: The diffuse reflection (DR) spectrum of a sample consisting of a mixture of rare earth oxides and talc was measured at 2 cm-1 resolution, using five different accessories installed on five different Fourier transform near-infrared (FT-NIR) spectrometers ... ...

    Abstract The diffuse reflection (DR) spectrum of a sample consisting of a mixture of rare earth oxides and talc was measured at 2 cm-1 resolution, using five different accessories installed on five different Fourier transform near-infrared (FT-NIR) spectrometers from four manufacturers. Peak positions for 37 peaks were determined using two peak-picking algorithms: center-of-mass and polynomial fitting. The wavenumber of the band center reported by either of these techniques was sensitive to the slope of the baseline, and so the baseline of the spectra was corrected using either a polynomial fit or conversion to the second derivative. Significantly different results were obtained with one combination of spectrometer and accessory than the others. Apparently, the beam path through the interferometer and DR accessory was different for this accessory than for any of the other measurements, causing a severe degradation of the resolution. Spectra measured on this instrument were removed as outliers. For measurements made on FT-NIR spectrometers, it is shown that it is important to check the resolution at which the spectrum has been measured using lines in the vibration-rotation spectrum of atmospheric water vapor and to specify the peak-picking and baseline-correction algorithms that are used to process the measured spectra. The variance between the results given by the four different methods of peak-picking and baseline correction was substantially larger than the variance between the remaining five measurements. Certain bands were found to be more suitable than others for use as wavelength standards. A band at 5943.13 cm-1 (1682.62 nm) was found to be the most stable band between the four methods and the six measurements. A band at 5177.04 cm-1 (1931.61 nm) has the highest precision between different measurements when polynomial baseline correction and polynomial peak-picking algorithms are used.
    MeSH term(s) Calibration/standards ; Equipment Failure Analysis/standards ; Metals, Rare Earth/analysis ; Metals, Rare Earth/chemistry ; Oxides/analysis ; Oxides/chemistry ; Reference Standards ; Reproducibility of Results ; Sensitivity and Specificity ; Spectroscopy, Fourier Transform Infrared/instrumentation ; Spectroscopy, Fourier Transform Infrared/methods ; Spectroscopy, Fourier Transform Infrared/standards ; Talc/analysis ; Talc/chemistry ; Temperature ; United States
    Chemical Substances Metals, Rare Earth ; Oxides ; Talc (14807-96-6)
    Language English
    Publishing date 2003-02
    Publishing country United States
    Document type Comparative Study ; Evaluation Studies ; Journal Article ; Research Support, Non-U.S. Gov't ; Research Support, U.S. Gov't, Non-P.H.S. ; Validation Studies
    ISSN 0003-7028
    ISSN 0003-7028
    DOI 10.1366/000370203321535097
    Database MEDical Literature Analysis and Retrieval System OnLINE

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