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Luc Patiny - One of the best experts on this subject based on the ideXlab platform.

  • MSPolyCalc: A web-based App for Polymer Mass spectrometry data interpretation. The case study of a pharmaceutical excipient.
    Rapid Communications in Mass Spectrometry, 2020
    Co-Authors: Jessica S. Desport, Gilles Frache, Luc Patiny
    Abstract:

    RATIONALE In contrast to biological Polymers, synthetic macromolecules consist of distributions of sizes, chemical compositions, functionalities and eventually architectures. The Mass spectrum of a synthetic Polymer may exhibit a tremendous number of signals. The availability of suitable IT tools to support interpretation is key. METHODS A web-based tool is presented: MSPolyCalc. It offers a set of functionalities, including the calculation of Polymer distributions, molecular formulae and a match evaluation for peak assignment based on both Mass and spectral accuracy (similarity score). The software was successfully tested with Mass spectra exhibiting resolutions ranging from 10,000 to 240,000. RESULTS The molecular characterization of a synthetic poly(ethylene glycol)-based excipient was achieved. MSPolyCalc allowed the discrimination of six Polymer compositions of variable relative abundance. Secondary ionization adducts with very low intensity consisting of matrix-analyte clusters were also successfully identified. CONCLUSIONS MSPolyCalc offers assisted data interpretation to target the needs of Polymer chemists. It facilitates structure characterization, ionization adduct identification, and end-group determination together with visual result reporting.

  • MSPolyCalc: A web-based App for Polymer Mass spectrometry data interpretation. The case study of a pharmaceutical excipient.
    Rapid communications in mass spectrometry : RCM, 2020
    Co-Authors: Jessica S. Desport, Gilles Frache, Luc Patiny
    Abstract:

    In contrast to biological Polymers, synthetic macromolecules consist of distributions of sizes, chemical compositions, functionalities and eventually architectures. The Mass spectrum of a synthetic Polymer may exhibit a tremendous number of signals. The availability of suitable IT tools to support interpretation is key. A web-based tool is presented: MSPolyCalc. It offers a set of functionalities, including the calculation of Polymer distributions, molecular formulae and a match evaluation for peak assignment based on both Mass and spectral accuracy (similarity score). The software was successfully tested with Mass spectra exhibiting resolutions ranging from 10,000 to 240,000. The molecular characterization of a synthetic poly(ethylene glycol)-based excipient was achieved. MSPolyCalc allowed the discrimination of six Polymer compositions of variable relative abundance. Secondary ionization adducts with very low intensity consisting of matrix-analyte clusters were also successfully identified. MSPolyCalc offers assisted data interpretation to target the needs of Polymer chemists. It facilitates structure characterization, ionization adduct identification, and end-group determination together with visual result reporting. © 2019 John Wiley & Sons, Ltd.

Jessica S. Desport - One of the best experts on this subject based on the ideXlab platform.

  • MSPolyCalc: A web-based App for Polymer Mass spectrometry data interpretation. The case study of a pharmaceutical excipient.
    Rapid Communications in Mass Spectrometry, 2020
    Co-Authors: Jessica S. Desport, Gilles Frache, Luc Patiny
    Abstract:

    RATIONALE In contrast to biological Polymers, synthetic macromolecules consist of distributions of sizes, chemical compositions, functionalities and eventually architectures. The Mass spectrum of a synthetic Polymer may exhibit a tremendous number of signals. The availability of suitable IT tools to support interpretation is key. METHODS A web-based tool is presented: MSPolyCalc. It offers a set of functionalities, including the calculation of Polymer distributions, molecular formulae and a match evaluation for peak assignment based on both Mass and spectral accuracy (similarity score). The software was successfully tested with Mass spectra exhibiting resolutions ranging from 10,000 to 240,000. RESULTS The molecular characterization of a synthetic poly(ethylene glycol)-based excipient was achieved. MSPolyCalc allowed the discrimination of six Polymer compositions of variable relative abundance. Secondary ionization adducts with very low intensity consisting of matrix-analyte clusters were also successfully identified. CONCLUSIONS MSPolyCalc offers assisted data interpretation to target the needs of Polymer chemists. It facilitates structure characterization, ionization adduct identification, and end-group determination together with visual result reporting.

  • MSPolyCalc: A web-based App for Polymer Mass spectrometry data interpretation. The case study of a pharmaceutical excipient.
    Rapid communications in mass spectrometry : RCM, 2020
    Co-Authors: Jessica S. Desport, Gilles Frache, Luc Patiny
    Abstract:

    In contrast to biological Polymers, synthetic macromolecules consist of distributions of sizes, chemical compositions, functionalities and eventually architectures. The Mass spectrum of a synthetic Polymer may exhibit a tremendous number of signals. The availability of suitable IT tools to support interpretation is key. A web-based tool is presented: MSPolyCalc. It offers a set of functionalities, including the calculation of Polymer distributions, molecular formulae and a match evaluation for peak assignment based on both Mass and spectral accuracy (similarity score). The software was successfully tested with Mass spectra exhibiting resolutions ranging from 10,000 to 240,000. The molecular characterization of a synthetic poly(ethylene glycol)-based excipient was achieved. MSPolyCalc allowed the discrimination of six Polymer compositions of variable relative abundance. Secondary ionization adducts with very low intensity consisting of matrix-analyte clusters were also successfully identified. MSPolyCalc offers assisted data interpretation to target the needs of Polymer chemists. It facilitates structure characterization, ionization adduct identification, and end-group determination together with visual result reporting. © 2019 John Wiley & Sons, Ltd.

Zhigang Xue - One of the best experts on this subject based on the ideXlab platform.

  • microporous Polymer electrolyte based on pvdf peo star Polymer blends for lithium ion batteries
    Journal of Membrane Science, 2015
    Co-Authors: Fangli Deng, Xiaoen Wang, Chunli Gong, Xiaolin Xie, Zhigang Xue
    Abstract:

    Abstract A novel microporous Polymer electrolyte (MPE) based on poly (vinylidene fluoride) (PVDF)/poly (ethylene oxide) (PEO) star Polymer was prepared by a phase inversion technique. The effects of PEO chain length of star Polymer and temperature on ionic conductivity of MPE were investigated. The results showed that the ionic conductivity increased generally with the chain length of star Polymer arms without any abrupt change. Effects of star Polymer Mass fraction on electrolyte uptake and leakage were also discussed. The distribution of holes and connectivity was improved with star Polymer Mass fraction increased, thus resulted in a high ionic conductivity (3.03×10−3 S cm−1) exhibited at room temperature. Moreover, the electrochemical stability window was observed above 5.0 V (vs. Li/Li+). All these results showed that this MPE could be served as a good candidate for lithium ion batteries.

  • Microporous Polymer electrolyte based on PVDF/PEO star Polymer blends for lithium ion batteries
    Journal of Membrane Science, 2015
    Co-Authors: Fangli Deng, Xiaoen Wang, Xiaolin Xie, Gong Chunli, Zhigang Xue
    Abstract:

    Abstract A novel microporous Polymer electrolyte (MPE) based on poly (vinylidene fluoride) (PVDF)/poly (ethylene oxide) (PEO) star Polymer was prepared by a phase inversion technique. The effects of PEO chain length of star Polymer and temperature on ionic conductivity of MPE were investigated. The results showed that the ionic conductivity increased generally with the chain length of star Polymer arms without any abrupt change. Effects of star Polymer Mass fraction on electrolyte uptake and leakage were also discussed. The distribution of holes and connectivity was improved with star Polymer Mass fraction increased, thus resulted in a high ionic conductivity (3.03×10−3 S cm−1) exhibited at room temperature. Moreover, the electrochemical stability window was observed above 5.0 V (vs. Li/Li+). All these results showed that this MPE could be served as a good candidate for lithium ion batteries.

Christopher Barner-kowollik - One of the best experts on this subject based on the ideXlab platform.

Gilles Frache - One of the best experts on this subject based on the ideXlab platform.

  • MSPolyCalc: A web-based App for Polymer Mass spectrometry data interpretation. The case study of a pharmaceutical excipient.
    Rapid Communications in Mass Spectrometry, 2020
    Co-Authors: Jessica S. Desport, Gilles Frache, Luc Patiny
    Abstract:

    RATIONALE In contrast to biological Polymers, synthetic macromolecules consist of distributions of sizes, chemical compositions, functionalities and eventually architectures. The Mass spectrum of a synthetic Polymer may exhibit a tremendous number of signals. The availability of suitable IT tools to support interpretation is key. METHODS A web-based tool is presented: MSPolyCalc. It offers a set of functionalities, including the calculation of Polymer distributions, molecular formulae and a match evaluation for peak assignment based on both Mass and spectral accuracy (similarity score). The software was successfully tested with Mass spectra exhibiting resolutions ranging from 10,000 to 240,000. RESULTS The molecular characterization of a synthetic poly(ethylene glycol)-based excipient was achieved. MSPolyCalc allowed the discrimination of six Polymer compositions of variable relative abundance. Secondary ionization adducts with very low intensity consisting of matrix-analyte clusters were also successfully identified. CONCLUSIONS MSPolyCalc offers assisted data interpretation to target the needs of Polymer chemists. It facilitates structure characterization, ionization adduct identification, and end-group determination together with visual result reporting.

  • MSPolyCalc: A web-based App for Polymer Mass spectrometry data interpretation. The case study of a pharmaceutical excipient.
    Rapid communications in mass spectrometry : RCM, 2020
    Co-Authors: Jessica S. Desport, Gilles Frache, Luc Patiny
    Abstract:

    In contrast to biological Polymers, synthetic macromolecules consist of distributions of sizes, chemical compositions, functionalities and eventually architectures. The Mass spectrum of a synthetic Polymer may exhibit a tremendous number of signals. The availability of suitable IT tools to support interpretation is key. A web-based tool is presented: MSPolyCalc. It offers a set of functionalities, including the calculation of Polymer distributions, molecular formulae and a match evaluation for peak assignment based on both Mass and spectral accuracy (similarity score). The software was successfully tested with Mass spectra exhibiting resolutions ranging from 10,000 to 240,000. The molecular characterization of a synthetic poly(ethylene glycol)-based excipient was achieved. MSPolyCalc allowed the discrimination of six Polymer compositions of variable relative abundance. Secondary ionization adducts with very low intensity consisting of matrix-analyte clusters were also successfully identified. MSPolyCalc offers assisted data interpretation to target the needs of Polymer chemists. It facilitates structure characterization, ionization adduct identification, and end-group determination together with visual result reporting. © 2019 John Wiley & Sons, Ltd.