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Masao Tokuda - One of the best experts on this subject based on the ideXlab platform.

A. F. Popov - One of the best experts on this subject based on the ideXlab platform.

Chunxiang Kuang - One of the best experts on this subject based on the ideXlab platform.

Hisanori Senboku - One of the best experts on this subject based on the ideXlab platform.

Marek Sochacki - One of the best experts on this subject based on the ideXlab platform.

  • Differentiation of Diastereoisomers of Protected 1,2-Diaminoalkylphosphonic Acids by EI Mass Spectrometry and Density Functional Theory
    Journal of The American Society for Mass Spectrometry, 2013
    Co-Authors: Ewelina Drabik, Roman Błaszczyk, Tadeusz Gajda, Grzegorz Krasiński, Marek Cypryk, Marek Sochacki
    Abstract:

    Electron ionization mass spectrometry and density functional theory (DFT) calculations have been used to study the fragmentation of diastereoisomers of protected 1,2-diaminoalkylphosphonic acids. The loss of a diethoxyphosphoryl group and the elimination of Diethyl Phosphonate were found to be competitive fragmentation processes, which can be used to differentiate both stereoisomers. Selective deuterated analogs and product- and precursor-ion mass spectra allowed the elucidation of the fragmentation mechanisms. The structures of the transition states and product ions were optimized using the density functional theory (DFT), and free energy calculations confirmed the observed differences in the formation and relative intensities of specific fragment ions. Figure ᅟ

  • Differentiation of Diastereoisomers of Protected 1,2-Diaminoalkylphosphonic Acids by EI Mass Spectrometry and Density Functional Theory
    Journal of the American Society for Mass Spectrometry, 2013
    Co-Authors: Ewelina Drabik, Roman Błaszczyk, Tadeusz Gajda, Grzegorz Krasiński, Marek Cypryk, Marek Sochacki
    Abstract:

    Electron ionization mass spectrometry and density functional theory (DFT) calculations have been used to study the fragmentation of diastereoisomers of protected 1,2-diaminoalkylphosphonic acids. The loss of a diethoxyphosphoryl group and the elimination of Diethyl Phosphonate were found to be competitive fragmentation processes, which can be used to differentiate both stereoisomers. Selective deuterated analogs and product- and precursor-ion mass spectra allowed the elucidation of the fragmentation mechanisms. The structures of the transition states and product ions were optimized using the density functional theory (DFT), and free energy calculations confirmed the observed differences in the formation and relative intensities of specific fragment ions.

  • Stereochemical effects in fragmentation of diastereoisomers of protected Diethyl 1,2‐diamino‐alkylPhosphonates
    Rapid Communications in Mass Spectrometry, 2010
    Co-Authors: Ewelina Drabik, Roman Błaszczyk, Tadeusz Gajda, Marek Sochacki
    Abstract:

    : Diastereoisomers of Diethyl 5-substituted (2-thioxo-imidazolidin-4-yl)Phosphonates, which can be regarded as protected Diethyl 1,2-diaminoalkylPhosphonates, have been analyzed by electron ionization mass spectrometry. Significant differences in the fragmentation of cis- and trans-diastereoisomers were found. The stereospecificity of the elimination of Diethyl Phosphonate and the loss of the diethoxyphosphoryl group were studied using specific labeled compounds and collision-induced dissociation. The relative abundances of ions formed via these fragmentation processes can be used for differentiation of both diastereoisomers.