1,721,904 research outputs found
Characterization and Differentiation of Heterocyclic Isomers. Part 5. About Mass Spectra and Library Entries of Benz(is)oxazoles
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The 5th MS food day conference: Mass spectrometry applications in food analysis Bologna (Italy), October 11-13, 2017
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Structural Characterization and Regiochemical Differentiation of α-Cyanoethylindole Isomers in the Gas Phase
No full textass spectrometry and tandem mass spectrometry techniques have been used to study the gas phase ion chemistry of isomeric α-cyanoethylindoles obtained by photochemical reactions. Both the fragmentation reactions occurring in the ion source, as well as metastable decompositions produced by the molecular and selected fragment ions, have allowed us to structurally characterize and differentiate each isomer from the others. The experiments, carried out also on deuterium labeled analogs, have shown the role exerted by the α-cyanoethyl substituent and by its position at the indolic ring on gas phase reactions that resulted to be distinctive and selective for each isomer. Ab initio theoretical calculations have been used to evaluate the stability and chemico-physical properties of different ion structures. © 2004 American Society for Mass Spectrometry
CCP-WSI blind test series 3: A nonlinear Froude–Krylov modeling approach
No full textMathematical models are essential for the effective design of wave energy converters and hence for the achievement of economic viability and industrial feasibility. Despite the fact that the wave energy field is at least 45 years old, there is still a clear lack of standardization of modeling techniques and a large amount of room for increasing confidence in hydrodynamic models. The Collaborative Computational Project in Wave–Structure Interaction (CCP-WSI) project aims to define a level playing field of comparison for a plurality of models, evaluating their performance. This paper implements a computationally convenient approach to represent nonlinear Froude-Krylov forces, along with the inclusion of nonlinear kinematics
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