The Experts below are selected from a list of 117 Experts worldwide ranked by ideXlab platform

K E Markides - One of the best experts on this subject based on the ideXlab platform.

  • Peak purity assessment in liquid chromatography-Mass spectrometry.
    Journal of chromatography. A, 2001
    Co-Authors: D Bylund, R Danielsson, K E Markides
    Abstract:

    Fixed-size moving window evolving factor analysis and base peak Chromatograms have been used for peak purity detection in data generated with LC-MS. The two methods were evaluated with both real and simulated data and were found to be fast and complementary to each other. When a possibly impure peak is detected, it is suggested that further information can be obtained from local principal component analysis modelling and comparative Mass Chromatogram plots.

  • Peak purity assessment in liquid chromatography-Mass
    2001
    Co-Authors: D Bylund, R Danielsson, K E Markides
    Abstract:

    Fixed-size moving window evolving factor analysis and base peak Chromatograms have been used for peak purity detection in data generated with LC-MS. The two methods were evaluated with both real and simulated data and were found to be fast and complementary to each other. When a possibly impure peak is detected, it is suggested that further information can be obtained from local principal component analysis modelling and comparative Mass Chromatogram plots. © 2001 Elsevier Science B.V. All rights reserved.

D Bylund - One of the best experts on this subject based on the ideXlab platform.

  • Peak purity assessment in liquid chromatography-Mass spectrometry.
    Journal of chromatography. A, 2001
    Co-Authors: D Bylund, R Danielsson, K E Markides
    Abstract:

    Fixed-size moving window evolving factor analysis and base peak Chromatograms have been used for peak purity detection in data generated with LC-MS. The two methods were evaluated with both real and simulated data and were found to be fast and complementary to each other. When a possibly impure peak is detected, it is suggested that further information can be obtained from local principal component analysis modelling and comparative Mass Chromatogram plots.

  • Peak purity assessment in liquid chromatography-Mass
    2001
    Co-Authors: D Bylund, R Danielsson, K E Markides
    Abstract:

    Fixed-size moving window evolving factor analysis and base peak Chromatograms have been used for peak purity detection in data generated with LC-MS. The two methods were evaluated with both real and simulated data and were found to be fast and complementary to each other. When a possibly impure peak is detected, it is suggested that further information can be obtained from local principal component analysis modelling and comparative Mass Chromatogram plots. © 2001 Elsevier Science B.V. All rights reserved.

R Danielsson - One of the best experts on this subject based on the ideXlab platform.

  • Peak purity assessment in liquid chromatography-Mass spectrometry.
    Journal of chromatography. A, 2001
    Co-Authors: D Bylund, R Danielsson, K E Markides
    Abstract:

    Fixed-size moving window evolving factor analysis and base peak Chromatograms have been used for peak purity detection in data generated with LC-MS. The two methods were evaluated with both real and simulated data and were found to be fast and complementary to each other. When a possibly impure peak is detected, it is suggested that further information can be obtained from local principal component analysis modelling and comparative Mass Chromatogram plots.

  • Peak purity assessment in liquid chromatography-Mass
    2001
    Co-Authors: D Bylund, R Danielsson, K E Markides
    Abstract:

    Fixed-size moving window evolving factor analysis and base peak Chromatograms have been used for peak purity detection in data generated with LC-MS. The two methods were evaluated with both real and simulated data and were found to be fast and complementary to each other. When a possibly impure peak is detected, it is suggested that further information can be obtained from local principal component analysis modelling and comparative Mass Chromatogram plots. © 2001 Elsevier Science B.V. All rights reserved.

Takeshi Yasumoto - One of the best experts on this subject based on the ideXlab platform.

  • Electrospray Ionization Mass Spectrometry of Tetrodotoxin and Its Analogs: Liquid Chromatography/Mass Spectrometry, Tandem Mass Spectrometry, and Liquid Chromatography/Tandem Mass Spectrometry
    Analytical Biochemistry, 2001
    Co-Authors: Yuki Shoji, Mari Yotsu-yamashita, Teruo Miyazawa, Takeshi Yasumoto
    Abstract:

    Abstract Tetrodotoxin (TTX), a powerful sodium channel blocker, usually exists as a mixture of its analogs (TTXs) in natural sources. Due to the structural variation, some analogs are difficult to detect using the postcolumn liquid chromatography-fluorescent detection (LC-FLD) system. Liquid chromatography/electrospray ionization Mass spectrometry (LC/ESI-MS) analysis of TTXs can be achieved by a combination of chromatography on a reversed-phase column with long carbon chains (C30) and the mobile phase containing an ion pair reagent (ammonium heptafluorobutyrate). The relationship between the amount of applied standard TTX and its peak area on the Mass Chromatogram (m/z 320) showed good linearity over a range of 50–1000 pmol. The detection limit for TTX in the selected ion monitoring (SIM) mode was estimated to be 0.7 pmol (signal to noise ratio: 2). The tandem Mass spectrometry (MS/MS) scan for the fragment ions of eight TTXs arising from the molecular ions provided characteristic spectra, and the structures of the origins of the prominent fragment ions were proposed. The intense fragment ions of TTX and 11-deoxyTTX were applicable to LC/MS/MS operated in the selected reaction monitoring mode. This method might be useful for further identification of TTXs.

Robert Miller - One of the best experts on this subject based on the ideXlab platform.

  • automating lc ms ms Mass Chromatogram quantification wavelet transform based peak detection and automated estimation of peak boundaries and signal to noise ratio using signal processing methods
    arXiv: Quantitative Methods, 2021
    Co-Authors: Florian Rupprecht, Wei Gao, Soren Enge, Kornelius Schmidt, Clemens Kirschbaum, Robert Miller
    Abstract:

    While there are many different methods for peak detection, no automatic methods for marking peak boundaries to calculate area under the curve (AUC) and signal-to-noise ratio (SNR) estimation exist. An algorithm for the automation of liquid chromatography tandem Mass spectrometry (LC-MS/MS) Mass Chromatogram quantification was developed and validated. Continuous wavelet transformation and other digital signal processing methods were used in a multi-step procedure to calculate concentrations of six different analytes. To evaluate the performance of the algorithm, the results of the manual quantification of 446 hair samples with 6 different steroid hormones by two experts were compared to the algorithm results. The proposed approach of automating Mass Chromatogram quantification is reliable and valid. The algorithm returns less nondetectables than human raters. Based on signal to noise ratio, human non-detectables could be correctly classified with a diagnostic performance of AUC = 0.95. The algorithm presented here allows fast, automated, reliable, and valid computational peak detection and quantification in LC- MS/MS.