4 research outputs found

    Structural studies of metal ligand complexes by ion mobility-mass spectrometry

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    Collision cross sections (CCS) have been measured for three salen ligands, and their complexes with copper and zinc using travelling-wave ion mobility-mass spectrometry (TWIMS) and drift tube ion mobility-mass spectrometry (DTIMS), allowing a comparative size evaluation of the ligands and complexes. CCS measurements using TWIMS were determined using peptide and TAAH calibration standards. TWIMS measurements gave significantly larger CCS than DTIMS in helium, by 9 % for TAAH standards and 3 % for peptide standards, indicating that the choice of calibration standards is important in ensuring the accuracy of TWIMS-derived CCS measurements. Repeatability data for TWIMS was obtained for inter- and intra-day studies with mean RSDs of 1. 1 % and 0. 7 %, respectively. The CCS data obtained from IM-MS measurements are compared to CCS values obtained via the projection approximation, the exact hard spheres method and the trajectory method from X-ray coordinates and modelled structures using density functional theory (DFT) based methods. © 2013 Springer-Verlag Berlin Heidelberg

    Kinetics of the pre-treatment of used cooking oil using Novozyme 435 for biodiesel production [conference paper]

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    The pretreatment of used cooking oil (UCO) for the preparation of biodiesel has been investigated, using Novozyme 435, Candida antarctica Lipase B immobilized on acrylic resin, as the catalyst. The reactions in UCO were carried out using a jacketed batch reactor with a reflux condenser. The liquid chromatography mass spectrometry (LC-MS) method was developed to monitor the mono-, di and triglyceride concentrations for this work and it has been shown that it is possible to obtain linear calibration curves. This work showed that Novozyme 435 will catalyse the esterification of FFAs and the transesterification of mono- and diglycerides typically found in UCO when Novozyme 435 is used to catalyse the pretreatement of UCO for the formation of biodiesel

    Real-time monitoring of exhaled volatiles using atmospheric pressure chemical ionization on a compact mass spectrometer

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    AIM: Breath analyses have potential to detect early signs of disease onset. Ambient ionization allows direct combination of breath gases with MS for fast, on-line analysis. Portable MS systems would facilitate field/clinic-based breath analyses. Results & methodology: Volunteers ingested peppermint oil capsules and exhaled volatile compounds were monitored over 10 h using a compact mass spectrometer. A rise and fall in exhaled menthone was observed, peaking at 60-120 min. Real-time analysis showed a gradual rise in exhaled menthone postingestion. Sensitivity was comparable to established methods, with detection in the parts per trillion range. CONCLUSION: Breath volatiles were readily analyzed on a portable mass spectrometer through a simple inlet modification. Induced changes in exhaled profiles were detectable with high sensitivity and measurable in real-time
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