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  • SAGE Publications  (4)
  • Zimmermann, Ralf  (4)
  • 1
    Online Resource
    Online Resource
    Investigation of the Photoionization Properties of Pharmaceutically Relevant Substances by Resonance-Enhanced Multiphoton Ionization Spectroscopy and Single-Photon Ionization Spectroscopy Using Synchrotron Radiation
    SAGE Publications ; 2013
    In:  Applied Spectroscopy Vol. 67, No. 8 ( 2013-08), p. 860-872
    Details
    In: Applied Spectroscopy, SAGE Publications, Vol. 67, No. 8 ( 2013-08), p. 860-872
    Abstract: The photoionization properties of the pharmaceutically relevant substances amantadine, diazepam, dimethyltryptamine, etomidate, ketamine, mescaline, methadone, and propofol were determined. At beamline U125/2-10m-NIM of the BESSY II synchrotron facility (Berlin, Germany) vacuum ultraviolet (VUV) photoionization spectra were recorded in the energy range 7.1 to 11.9 eV (174.6 to 104.2 nm), showing the hitherto unknown ionization energies and fragmentation appearance energies of the compounds under investigation. Furthermore, (1+1)-resonance-enhanced multiphoton ionization (REMPI) spectra of selected compounds (amantadine, diazepam, etomidate, ketamine, and propofol) were recorded by a continuous scan in the energy range between 3.6 and 5.7 eV (345 to 218 nm) using a tunable optical parametric oscillator (spectral resolution: 0.1 nm) laser system. The resulting REMPI wavelength spectra of these compounds are discussed and put into context with already known UVabsorption data. Time-of-flight mass spectrometry was used for ion detection in both experiments. Finally, the implications of the obtained physical-chemical results for potential analytical applications are discussed. In this context, fast detection approaches for the considered compounds from breath gas using photoionization mass spectrometry and a rapid pre-concentration step (e.g., needle trap device) are of interest.
    Type of Medium: Online Resource
    ISSN: 0003-7028 , 1943-3530
    URL: Article
    DOI: 10.1366/13-06988
    RVK:
    VA 2367
    Language: English
    Publisher: SAGE Publications
    Publication Date: 2013
    detail.hit.zdb_id: 1474251-2
    SSG: 11
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  • 2
    Online Resource
    Online Resource
    Comprehensive chemical comparison of fuel composition and aerosol particles emitted from a ship diesel engine by gas chromatography atmospheric pressure chemical ionisation ultra-high resolution mass spectrometry with improved data processing routines
    SAGE Publications ; 2017
    In:  European Journal of Mass Spectrometry Vol. 23, No. 1 ( 2017-02), p. 28-39
    Details
    In: European Journal of Mass Spectrometry, SAGE Publications, Vol. 23, No. 1 ( 2017-02), p. 28-39
    Abstract: The analysis of petrochemical materials and particulate matter originating from combustion sources remains a challenging task for instrumental analytical techniques. A detailed chemical characterisation is essential for addressing health and environmental effects. Sophisticated instrumentation, such as mass spectrometry coupled with chromatographic separation, is capable of a comprehensive characterisation, but needs advanced data processing methods. In this study, we present an improved data processing routine for the mass chromatogram obtained from gas chromatography hyphenated to atmospheric pressure chemical ionisation and ultra high resolution mass spectrometry. The focus of the investigation was the primary combustion aerosol samples, i.e. particulate matter extracts, as well as the corresponding fossil fuels fed to the engine. We demonstrate that utilisation of the entire transient and chromatographic information results in advantages including minimisation of ionisation artefacts and a reliable peak assignment. A comprehensive comparison of the aerosol and the feed fuel was performed by applying intensity weighted average values, compound class distribution and principle component analysis. Certain differences between the aerosol generated with the two feed fuels, diesel fuel and heavy fuel oil, as well as between the aerosol and the feed were revealed. For the aerosol from heavy fuel oil, oxidised species from the CHN and CHS class precursors of the feed were predominant, whereas the CHO x class is predominant in the combustion aerosol from light fuel oil. Furthermore, the complexity of the aerosol increases significantly compared to the feed and incorporating a higher chemical space. Coupling of atmospheric pressure chemical ionisation to gas chromatography was found to be a useful additional approach for characterisation of a combustion aerosol, especially with an automated utilisation of the information from the ultra-high resolution mass spectrometer and the chromatographic separation.
    Type of Medium: Online Resource
    ISSN: 1469-0667 , 1751-6838
    URL: Article
    DOI: 10.1177/1469066717694286
    Language: English
    Publisher: SAGE Publications
    Publication Date: 2017
    detail.hit.zdb_id: 2021540-X
    detail.hit.zdb_id: 2021340-2
    SSG: 11
    SSG: 12
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  • 3
    Online Resource
    Online Resource
    Using aromatic polyamines with high proton affinity as “proton sponge” dopants for electrospray ionisation mass spectrometry
    SAGE Publications ; 2017
    In:  European Journal of Mass Spectrometry Vol. 23, No. 2 ( 2017-04), p. 49-54
    Details
    In: European Journal of Mass Spectrometry, SAGE Publications, Vol. 23, No. 2 ( 2017-04), p. 49-54
    Abstract: Proton sponges are polyamines with high proton affinity that enable gentle deprotonation of even mildly acidic compounds. In this study, the concept of proton sponges as signal enhancing dopants for electrospray ionisation is presented for the first time. 1,8-Bis(dimethylamino)naphthalene (DMAN) and 1,8-bis(tetramethylguanidino)naphthalene (TMGN) were chosen as dopants, using methanol and acetonitrile/methanol as solvents. Individual standard compounds, compound mixtures and a diesel fuel as a complex sample matrix were investigated. Both proton sponges enhanced signal intensities in electrospray ionisation negative mode, but TMGN decomposed rapidly in methanolic solution. Significantly higher signals were only achieved using the acetonitrile/methanol mixture. On average a more than 10-fold higher signal intensity was measured with 10 −3  mol l −1 DMAN concentration. A stronger signal increase of alcohol functionalities was observed compared to acid functionalities. All compound classes which were detected in the diesel fuel (CH– and CHO x –class) received roughly 100-fold higher signal intensities when using DMAN as a dopant. Furthermore, the number of detected compounds as well as the double bond equivalent of the detected compounds increased. The compound class distribution shifted when adding DMAN and the formerly dominant CHO 2 –, CHO 3 –, and CHO 4 – classes received similar relative intensities as formerly less accessible classes. The findings depict DMAN as a promising additive for electrospray ionisation negative analysis of at least mildly acidic compounds, even within complex sample material.
    Type of Medium: Online Resource
    ISSN: 1469-0667 , 1751-6838
    URL: Article
    DOI: 10.1177/1469066717697985
    Language: English
    Publisher: SAGE Publications
    Publication Date: 2017
    detail.hit.zdb_id: 2021540-X
    detail.hit.zdb_id: 2021340-2
    SSG: 11
    SSG: 12
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  • 4
    Online Resource
    Online Resource
    Systematic Studies on TiO 2 -Based Phosphopeptide Enrichment Procedures upon in-Solution and in-Gel Digestions of Proteins. Are There Readily Applicable Protocols Suitable for Matrix-Assisted Laser Desorption/Ionization Mass Spectrometry-Based Phosphopeptide Stability Estimations?
    SAGE Publications ; 2011
    In:  European Journal of Mass Spectrometry Vol. 17, No. 5 ( 2011-10), p. 507-523
    Details
    In: European Journal of Mass Spectrometry, SAGE Publications, Vol. 17, No. 5 ( 2011-10), p. 507-523
    Abstract: There have been many successful efforts to enrich phosphopeptides in complex protein mixtures by the use of immobilized metal affinity chromatography (IMAC) and/or metal oxide affinity chromatography (MOAC) with which mass spectrometric analysis of phosphopeptides has become state of the art in specialized laboratories, mostly applying nanoLC electrospray ionization mass spectrometry-based investigations. However, widespread use of these powerful techniques is still not achieved. In this study, we present a ready-to-use phosphopeptide enrichment procedure using commercially available TiO 2 -loaded pipette tips in combination with matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) analyses. Using β-casein as a model protein and citric acid as additive during sample loading, a similar enrichment success can be achieved as compared to applying 2,5-dihydroxy benzoic acid (DHB) for this task. But the DHB-inherited drawbacks are eliminated. In addition, we show that combining DHB and 2,4,6-trihydroxy acetophenone (THAP) as matrix for MALDI-MS measurements retains the sensitivity of DHB for phosphopeptide analysis but adds the homogenous crystallization properties of THAP, enabling preparation of evenly distributed matrix surfaces on MALDI-MS anchor targets, a prerequisite for automated MALDI-MS analyses. Tripartite motif-containing protein 28 and stathmin are two examples for which successful phosphopeptide enrichment of either sodium dodecyl sulfate polyacrylamide gel electrophoresis or two-dimensional gel electrophoresis-separated proteins is shown. Finally, high resolution MALDI Fourier transform ion cyclotron resonance mass spectrometry after phosphopeptide enrichment suggests that chemical dephosphorylation may occur as a side reaction during basic elution of phosphopeptides bound to MOAC surfaces, suggesting that proteome-wide phosphopeptide analyses ought to be interpreted with caution. In contrast, in-depth analysis of phosphopeptide/non-phosphorylated peptide siblings may be used to estimate stability differences of phosphorylation sites in individual proteins, possibly adding valuable information on biological regulation processes.
    Type of Medium: Online Resource
    ISSN: 1469-0667 , 1751-6838
    URL: Article
    DOI: 10.1255/ejms.1134
    Language: English
    Publisher: SAGE Publications
    Publication Date: 2011
    detail.hit.zdb_id: 2021540-X
    detail.hit.zdb_id: 2021340-2
    SSG: 11
    SSG: 12
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