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  • Analytical Chemistry and Spectroscopy  (5,640)
  • Biochemistry and Biotechnology  (2,788)
  • ddc:330
  • 2020-2024  (40)
  • 1985-1989  (8,428)
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  • 1
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    Plastic Credits als Instrument zur Annäherung an eine Circular Economy : Einordnung der Nutzung des Marktmechanismus auf Abnehmerseite (2023)
    Wuppertal : Wuppertal Institut für Klima, Umwelt, Energie
    Details
    Publication Date: 2023-10-02
    Description: Die verheerenden Mengen an Abfall am Ende des Lebenszyklus von Produkten zu bewältigen, gilt als eine der größten Herausforderungen auf dem Weg zu einer Circular Economy. Die negativen Folgen, die sich aus dem Missmanagement von Kunststoffabfällen aufgrund fehlender oder nicht funktionierender Abfallwirtschaftsstrukturen in weiten Teilen der Erde ergeben, werden zunehmend deutlich. Bei der Circular Economy als elementarer Lösungsansatz sollen Stoffströme geschlossen und Produktlebenszyklen verlängert werden. Ein Instrument zur Annäherung an dieses Modell ist der Handel mit sogenannten Plastic Credits - ein Mittel, um den Ausbau regionaler Infrastrukturen für die Sammlung und das Recycling von Kunststoffabfällen zu finanzieren. Die Abnehmer von Plastic Credits sind die treibende Kraft hinter dem Mechanismus. Es ist weiterführende Forschung notwendig, insbesondere in Bezug auf die Frage, wie Unternehmen das Instrument der Plastic Credits nutzen und in ihre Gesamtstrategie integrieren. Diese Masterarbeit widmet sich der dabei vorgelagerten Frage: Existieren bestimmte Profile bei Unternehmen, die in Plastic Credits investieren, und lassen sich hierbei spezifische Cluster bilden? Im Rahmen der Beantwortung dieser Frage wurden Expert*innen-Interviews mit Hilfe der qualitativen Inhaltsanalyse nach Mayring ausgewertet. Dabei haben sich drei konkrete Unterfragen ergeben, die sich auf die Motivation, Branchenzugehörigkeit und räumliche Verortung der Abnehmer beziehen. Die Ergebnisse zeigen, dass sich die Abnehmer von Plastic Credits bereits umfangreich mit der Kunststoffabfallproblematik und der damit verbundenen Auswirkung auf die Umwelt beschäftigen. Offen bleibt, inwiefern Maßnahmen zur Vermeidung von neuartigem Kunststoff, der Verbesserung der Recyclingfähigkeit der Produkte oder der Einsatz von Rezyklaten in der Herstellung dem Weg der Kompensation vorangestellt werden. In Bezug auf die Branchenzugehörigkeit legen die Ergebnisse nahe, dass vorrangig Unternehmen, die mit einem erschwerten Rezyklate-Einsatz konfrontiert sind, in Plastic Credits investieren. Welche Auswirkungen Maßnahmen wie die Entbürokratisierung der Zulassungsverfahren für neue Recyclingprozesse oder verpflichtende Anteile an recycelten Materialien in bestimmten Produkten auf die Investition in Plastic Credits haben, wird sich in Zukunft zeigen. Die Analyse der räumlichen Verortung gab Aufschluss darüber, dass zurzeit im Wesentlichen Unternehmen aus dem globalen Norden in Plastic Credits investieren - jedoch verbunden mit dem Ziel, eine Finanzierung aus den Projektländern heraus zu intensivieren.
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: German
    Type: masterthesis , doc-type:masterThesis
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  • 2
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    Förderbanken im Wandel : Evolution zu nachhaltigen Transformationsbanken ; fünf Handlungsfelder für die Begleitung einer nachhaltigen Entwicklung (2023)
    Wuppertal : Wuppertal Institut für Klima, Umwelt, Energie
    Details
    Publication Date: 2023-10-02
    Description: Förderbanken vergeben in Deutschland jährlich mindestens 200 Milliarden Euro an Mitteln für Investitionen, die sonst nicht oder sehr viel später umgesetzt werden könnten. Sie arbeiten im öffentlichen Auftrag und richten ihre Tätigkeit an gesellschaftlichen Zielen aus. Diese Ziele haben sich weiterentwickelt. Angesichts von Klimawandel, Energiekrise und den Herausforderungen einer Kreislaufwirtschaft wollen sowohl die Länder als auch die Bundesregierung ihre Förderbanken umbauen. Gerade die Förderbanken der Länder müssen sich darum jetzt bereit machen für die "Weiterentwicklung von Förderbanken zu Transformationsbanken". Für die erfolgreiche Gestaltung dieses gesellschaftlichen Umbruchs brauchen sie Unterstützung. Wie dies gelingt, zeigt dieser Zukunftsimpuls.
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: German
    Type: workingpaper , doc-type:workingPaper
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  • 3
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    Co-creation process on circular economy monitoring : overview of interactive activities and outcomes ; reflections on the links to the Bellagio Principles (2023)
    Mol : European Topic Centre on Waste and Materials
    Details
    Publication Date: 2023-12-05
    Description: The transition to a greener and more circular economy has been a European policy priority for several years. The Circular Economy Action Plan of 2020 underlines the ambition. The following EEA initiatives are meant to support the transition process: - Bellagio Process on circular economy monitoring principles (EPA network); - Enhancement of EEA indicators on circular economy (ETC/WMGE); - Explorative work on novel data streams (FWC); - Co-creation work - knowledge sharing of monitoring experience (ETC/Eionet). The scope of the present task was to report on the co-creation process that was undertaken at the end of 2020. The co-creation process was organised to identify: (i) best practices on monitoring strategies, data sources and target setting; and (ii) areas of circularity measuring and monitoring that remain challenging and require additional investment. The co-creation process partially built on the work done during the Bellagio Process/Initiative which was run in parallel. This ETC report presents and documents the evidence gathered throughout the co- creation process as well as providing a retrospective analysis of the links to the Bellagio Principles.
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: English
    Type: report , doc-type:report
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  • 4
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    Digitales Nachhaltigkeitsmanagement in Unternehmen : ein serviceorientierter Ansatz zur Entwicklung einer Plattform für datengestütztes Nachhaltigkeitsdatenmanagement (2022)
    Details
    Publication Date: 2023-12-08
    Description: Die Stärkung der Digitalisierung im Nachhaltigkeitsmanagement und das Schaffen einer einheitlichen sowie konsistenten Datenbasis können Unternehmen maßgeblich unterstützen, steigenden Nachhaltigkeitsanforderungen zu entsprechen und die Transparenz zur Nachhaltigkeit des Wirtschaftens zu gewährleisten. Dieser Beitrag stellt Anforderungen und einen serviceorientierten Ansatz zur Entwicklung einer Plattform für datengestütztes Nachhaltigkeitsmanagement in produzierenden Unternehmen vor.
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: German
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  • 5
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    Extended Producer Responsibility (EPR) in der Matratzenindustrie : Evaluierung verschiedener EPR-Modelle für Deutschland hinsichtlich ihrer Umsetzbarkeit und Effektivität zur Kreislaufschließung (2023)
    Wuppertal : Wuppertal Institut für Klima, Umwelt, Energie
    Details
    Publication Date: 2023-12-21
    Description: In Deutschland werden jährlich über sieben Millionen gebrauchte Matratzen entsorgt, die überwiegend verbrannt und nur zu einem Bruchteil recycelt werden. Dieser lineare Ansatz belastet die Ressourcen, erhöht die Emissionen und birgt Umweltrisiken. Um diesen Herausforderungen zu begegnen, kann die erweiterte Herstellerverantwortung (Extended Producer Responsibility, EPR) als Instrument zur Umsetzung einer Kreislaufwirtschaft dienen. In dieser Masterarbeit wird daher untersucht, wie ein EPR-System für Matratzen in Deutschland gestaltet sein sollte, um Kreisläufe effizient zu schließen. Gleichzeitig zielt diese Thesis darauf ab, die damit verbundenen Anforderungen und Herausforderungen bei der Umsetzung eines solchen Systems zu identifizieren. Zur Beantwortung der Forschungsfragen wurden mithilfe von Expert*innen-Interviews und einer umfassenden Literaturrecherche drei EPR-Modelle entwickelt und anhand von ausgewählten Kriterien bewertet. Die Ergebnisse der Bewertung ergaben, dass ein Modell präferiert werden sollte, in dem eine sogenannte Producer Responsibility Organisation (PRO) gebündelt die Verantwortung der Hersteller übernimmt. Ein solches System würde unter anderem eine angemessene Kontrolle ermöglichen und Anreize für Forschung und Entwicklung im Bereich der Recyclingtechnologien und des zirkulären Designs der Matratzen schaffen. Obwohl die Datenlage über Altmatratzen und deren Verwertung in Deutschland derzeit noch begrenzt sind und die hier präsentierten Ergebnisse von der gewählten Methodik abhängen, dient diese Masterarbeit als erste Grundlage für die weitere Entwicklung eines EPR-Systems für Matratzen in Deutschland.
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: German
    Type: masterthesis , doc-type:masterThesis
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  • 6
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    Abfallvermeidung vor einem Pardigmenwechsel : von der Kür zur Pflicht (2023)
    Details
    Publication Date: 2023-12-22
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: German
    Type: contributiontoperiodical , doc-type:contributionToPeriodical
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  • 7
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    Zero Waste zwischen Anspruch und Umsetzung (2023)
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    Publication Date: 2023-12-22
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: German
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  • 8
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    Circular Economy - Leitbild und Vision : Bericht zum Forschungsmodul E2 im Forschungsprojekt "Umsetzungserfahrungen mit Landesnachhaltigkeitsstrategien - Fallstudie Nachhaltigkeitsstrategie NRW" (2023)
    Wuppertal : Wuppertal Institut für Klima, Umwelt, Energie
    Details
    Publication Date: 2023-12-22
    Description: Die Transformation der bisher linearen Strukturen von Produktion und Konsum ("take-make-dispose") hin zu einer Circular Economy (CE) - im Sinne einer weiterentwickelten Kreislaufwirtschaft - gilt als zentrales Konzept zur Steigerung der Ressourceneffizienz und Kreislaufführung von Materialien und Produkten, zur Stärkung der Wettbewerbsfähigkeit der einheimischen Industrie sowie zur Schaffung neuer Arbeitsplatzpotenziale. Ziel dieses Forschungsmoduls ist es, die bisherige Umsetzung dieses Konzepts im Rahmen der Nachhaltigkeitsstrategie NRW zu analysieren und durch geeignete Impulse zu begleiten. Durch die Entwicklung eines Leitbilds für eine nachhaltige Circular Economy und zu seiner Messung geeigneter Indikatoren soll das noch an vielen Stellen unscharfe Konzept präzisiert und insbesondere an die spezifischen Ausgangsbedingungen und Herausforderungen von Nordrhein-Westfalen angepasst werden. Dazu sollen Bausteine für ein mittel- und langfristiges Leitbild (2030) entworfen werden, das einen konsistenten Entwicklungspfad für diesen komplexen Transformationsprozess beschreiben soll. Die bestehenden stark abfallwirtschaftlich geprägten Indikatoren zum Thema Kreislaufwirtschaft sollen durch Vorschläge für zusätzliche Indikatoren zur Nachhaltigkeit im Rahmen der Kreislaufwirtschaft (Circular Economy, CE) ergänzt werden.
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: German
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  • 9
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    Injecting climate finance into SME lending in Germany : opportunities for and limitations of regional savings and cooperative banks (2023)
    Details
    Publication Date: 2023-12-22
    Description: Although small and medium-sized enterprises (SMEs) contribute considerably to Germany's carbon emissions, regional savings and cooperative banks - SMEs' most important financiers - hardly consider this aspect in lending to these businesses. However, given Germany's commitment to climate neutrality by 2045, suitable approaches for injecting climate finance into these SME lending processes are greatly required. Against this background, the paper at hand aims to introduce the specific case of regional banks into the debate on green finance and green banking and suggest future research in this context. In discussing the state of research on the peculiarities of regional savings and cooperative banks, we outline the resulting opportunities and limitations for climate impact assessments in SME lending. We argue that while the dual bottom-line orientation of regional banks in Germany precludes them from applying simple positive or negative screenings, their in-depth knowledge about local clients and circumstances enables them to be active and engaging partners for the green transformation of SMEs. Nonetheless, we explain why developing solutions to utilise this knowledge for climate finance by integrating climate impact assessments into routine lending processes remains a particularly challenging task.
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: German
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  • 10
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    Reaching net-zero in the chemical industry : a study of roadmaps for industrial decarbonisation (2024)
    Details
    Publication Date: 2023-12-20
    Description: Striving to mitigate climate change, the European Union has adopted net-zero greenhouse gas emissions as a target for 2050. In this paper, European chemical industry roadmaps from the past six years are assessed and compared to uncover how the industry envisions its role in the transition to net-zero emissions. The roadmaps are assessed in terms of ambition level, technology and feedstock strategies, investment needs and costs, agency and dependency on other actors, as well as timeline and concretion. Although net-zero pathways are often drawn out in the roadmaps, some also choose to emphasize and argue for less ambitious pathways with emission reductions of only 40-60 %. The roadmaps vary widely in terms of the importance they assign to mechanical and chemical recycling, switching to biogenic carbon and carbon dioxide as feedstock, electrification and hydrogen, and carbon capture and storage. A commonality though, is that low-tech or near-term mitigation pathways such as demand reduction, reuse or material efficiency are seldom included. High investment needs are generally highlighted, as well as the need for policy to create enabling conditions, whereas the agency and responsibility of the chemical industry itself is downplayed. Our analysis highlights that the chemical industry does not yet have a strong and shared vision for pathways to net-zero emissions. We conclude that such a future vision would benefit from taking a whole value chain approach including demand-side options and consideration of scope 3 emissions.
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: English
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  • 11
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    The circular economy as a new narrative for the textile industry : an analysis of the textile value chain with a focus on Germany's transformation to a circular economy (2022)
    Wuppertal : Wuppertal Institut für Klima, Umwelt, Energie
    Details
    Publication Date: 2023-03-24
    Description: At the end of March 2022, the European Commission published its new EU Strategy for Sustainable and Circular Textiles. Its ambitious vision is to reduce textile waste, promote circular measures and minimise the negative environmental impacts of the textile industry. But what would a textile industry that keeps textiles in a closed loop look like, and what political conditions would be required in Germany? This Zukunftsimpuls paper by the Wuppertal Institute points to the role that Germany could play in the transformation towards a circular textile industry.
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: English
    Type: workingpaper , doc-type:workingPaper
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  • 12
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    Mit Circular Economy zur Ressourcenwende (2022)
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    Publication Date: 2023-03-24
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: German
    Type: contributiontoperiodical , doc-type:contributionToPeriodical
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  • 13
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    Plastic mining : sind Plastikabfälle das neue Öl? (2022)
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    Publication Date: 2023-03-24
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: German
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  • 14
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    Erarbeitung eines Kostenmodells für die Umsetzung von Artikel 8 Absatz 2 und 3 der EU-Einwegkunststoffrichtlinie : Abschlussbericht (2022)
    Dessau-Roßlau : Umweltbundesamt
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    Publication Date: 2023-03-24
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: German
    Type: report , doc-type:report
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  • 15
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    Wege aus der Sackgasse der Linearität : chemische Produktion als Kreislaufwirtschaft (2023)
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    Publication Date: 2023-03-24
    Description: In der Chemiebranche macht sich mittlerweile die Erkenntnis breit, dass sie zukünftig geschlossene Stoffkreisläufe brauchen wird, wenn sie weiter Gewinne machen will. Doch der Weg dahin ist noch ziemlich weit. Deshalb wird es ohne langfristig angelegte und klare gesetzgeberische Vorgaben nicht gehen.
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: German
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  • 16
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    Welche Auswirkungen hat der Ukrainekrieg auf die Energiepreise und Versorgungssicherheit in Europa? (2022)
    Halle (Saale) : Deutsche Akademie der Naturforscher Leopoldina
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    Publication Date: 2023-03-24
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: German
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  • 17
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    Success factors for the foundation of municipal utilities in Germany (2021)
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    Publication Date: 2023-05-15
    Description: More than 150 municipal utilities (so-called Stadtwerke) were established in Germany from the beginning of the millennium, bringing the total number of Stadtwerke currently established within the country to approximately 900. With responsibility for more than half of the supply of electricity, gas and heat in Germany, these Stadtwerke play a central role in the transformation of the energy sector, or Energiewende. In addition, due to their local and regional ties, Stadtwerke have a particular role to play in energy politics, the economy and across society. This article focuses on the motives behind, and grounds for, the current wave of newly established Stadtwerke. Further, it discusses the factors that were critical to the successful formation of new Stadtwerke in recent years. The results of our survey indicate that the establishment of municipal Stadtwerke is a suitable measure to implement the energy transition at the local level, whereby the concept of public value has a high level of importance for the local decision-makers. Collaboration and cooperation, as well as a resilience-oriented strategy, are important success factors for new Stadtwerke.
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: English
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  • 18
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    The circular business framework for building, developing and steering businesses in the circular economy (2021)
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    Publication Date: 2023-05-15
    Description: The need for a transition towards a circular economy (CE) is evident, as the current economic model is based on the exploitation of far more resources than the planet can replenish sustainably. A significant part of this economic transition is the inception of new, CE-oriented startups and business activities. While business model frameworks (BMF), such as the Business Model Canvas (BMC), were at the center of discussions about structuring business ideas in the beginning of the millennium, the conversation must now shift towards circular BMFs (CBMF). This paper follows the Design Research Methodology (DRM) for an empirical approach to devising a novel CBMF, including expert interviews as well as a first application of the framework with a startup. Throughout this process, a new and innovative tool called Circular Business Framework (CBF) was created and tested based on CE principles.
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
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  • 19
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    Stop guessing in the dark : identified requirements for digital product passport systems (2023)
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    Publication Date: 2023-05-15
    Description: The Digital Product Passport (DPP) is a concept for collecting and sharing product-related information along the life cycle of a product. DPPs are currently the subject of intense discussion, and various development efforts are being undertaken. These are supported by regulatory activities, especially in the case of the battery passport. The aggregation of product life-cycle data and their respective use, as well as the sharing of these data between companies, entrepreneurs, and other actors in the value chain, is crucial for the creation of a resource-efficient circular economy. Despite the urgent need for such a solution, there is currently little attention given to the digital infrastructure for the creation and handling of the DPPs (i.e., the so-called DPP system). Moreover, there is so far no common understanding of what the requirements for a DPP system are. This is the background and underlying motivation of our paper: we identify the requirements for a DPP system in a structured way, i.e., based on stakeholder involvement and current literature from science and industry. In addition, we compose, categorize, and critically analyze the results, i.e., the list of requirements for DPP systems, in order to identify gaps. Summarized, our research provides insights into the criteria to be considered in the creation of an actual DPP system.
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: English
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  • 20
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    What will drive household adoption of smart energy? : Insights from a consumer acceptance study in Germany (2022)
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    Publication Date: 2023-02-08
    Description: Although smart energy technologies (SETs) can fulfill multiple tasks in increasingly decarbonized and digitalized energy systems, market diffusion is still limited. This study investigates which beliefs influence consumers' intention to adopt two smart-energy offerings, whether the rapid growth of the smart home market will now drive SET adoption, and if consumer-driven diffusion will lead to sustainability potentials being realized. Building on UTAUT2, a new theoretical model is proposed, and a consumer acceptance survey was conducted in Germany (n = 700). Results indicate that a growing smart home market will not increase SET adoption and that "adjustable green defaults" should be introduced.
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
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  • 21
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    Perspectives on an effective design of industry tramsformation : an active systemic industrial policy for climate-neutral process industries in Europe ; commentary (2023)
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    Publication Date: 2023-08-02
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: English
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  • 22
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    Circular Economy und Digitalisierung - Strategien für die digital-ökologische Industrietransformation : eine Studie im Auftrag von Huawei Technologies Deutschland GmbH (2022)
    Wuppertal : Wuppertal Institut für Klima, Umwelt, Energie
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    Publication Date: 2023-07-07
    Description: Innerhalb des Projekts "Digitalisierung gestalten - Transformation zur Nachhaltigkeit ermöglichen" werden die besonderen Transformationspotenziale der Digitalisierung herausgearbeitet und für Deutschland am Beispiel der ausgewählten Handlungsfelder Mobilität, Circular Economy sowie Landwirtschaft und Ernährung diskutiert. Dieser Bericht adressiert das Handlungsfeld einer klimaschonenden und ressourceneffizienten Kreislaufwirtschaft, die Circular Economy. Bisher wird Kreislaufwirtschaft dabei vor allem mit Fokus auf Recycling und Wiederverwertung von Materialien diskutiert. Das greift jedoch zu kurz - es muss um die Skalierung von neuen, ressourcenschonenden Geschäftsmodellen und der umfassenden Transformation von Wertschöpfungsketten und Industriestrukturen gehen. Die Analyse zeigt: richtig eingesetzt ist Digitalisierung unverzichtbar für diesen Wandel. Der vorliegende Bericht möchte Anstöße für diesen Weg liefern und neue Impulse für eine klima- und ressourcenschonende Industrietransformation in Deutschland setzen. Der Bericht verarbeitet dabei Ergebnisse eines interdisziplinären Workshops zum Thema "Die digital-ökologische Industrietransformation gestalten - Geschäftsmodelle und politische Rahmenbedingungen für Klima- und Ressourcenschutz" mit Expertinnen und Experten aus Forschung, Zivilgesellschaft, Behörden und Privatunternehmen.
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: German
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    Methodische Konzeption einer regionalen Ressourcenwende im Rheinischen Revier : Studie für den Revierknoten Ressourcen und Agrobusiness ; Abschlussdokument (2022)
    Wuppertal : Wuppertal Institut für Klima, Umwelt, Energie
    Details
    Publication Date: 2023-07-07
    Description: Das Wirtschafts- und Strukturprogramm für das Rheinische Zukunftsrevier enthält eine Reihe von Zielen, die demonstrieren sollen, wie der European Green Deal modellhaft im Rheinischen Revier bis 2038 umgesetzt werden kann. Das Konzept der "Ressourcenwende" stellt dabei einen Lösungsweg für die erfolgreiche Umsetzung dieser Transformation dar. Das Wuppertal Institut hat vor diesem Hintergrund gemeinsam mit der Prognos AG die vorliegende Studie zu einer regionalen Ressourcenwende im Rheinischen Revier erarbeitet. Das Rheinische Revier ist geprägt durch die Gewinnung, Verstromung und Veredelung von Braunkohle. Darüber hinaus haben sich hier - aufgrund der Nähe zu bedeutenden europäischen Transportwegen und einer zentralen Lage zu wichtigen Märkten in Europa - viele weitere Branchen angesiedelt, wie etwa die Metall-, Chemie- und Aluminiumbranche. Im Hinblick auf den von der Bundesregierung und Nordrhein-Westfalen (NRW) beschlossenen Braunkohleausstieg 2030 und den European Green Deal wird die Notwendigkeit eines Wandels der energie- und ressourcenintensiven Industrien hin zu einer treibhausgasneutralen und ressourcenleichten Wirtschaft im Rheinischen Revier mehr als deutlich. Welchen Fußabdruck hinterlässt das Rheinische Revier, welche innovativen Ressourcenstrategien sollte die Region verfolgen und wie kann dies gemessen werden? Zu dieser Fragestellung haben die Forschenden ein methodisches Konzept einer regionalen Ressourcenwende für das Rheinischen Revier erarbeitet. Die Ressourcenwende selbst begrenzt sich dabei nicht nur auf Primärrohstoffe, sondern nimmt auch die Aspekte wie Bodennutzung bzw. Flächenverbrauch und Biodiversität bzw. Ökosystemleistungen in den Blick und setzt diese in den Kontext eines regionalen Kreislaufwirtschaftssystems.
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: German
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    Digitally driven energy management practices in SMEs : exploring potentials and barriers (2022)
    Details
    Publication Date: 2023-04-24
    Description: Innovative digital technologies open up new opportun­ ities for small and medium-sized enterprises (SMEs) to improve energy efficiency and energy management behavior. The question is: How far will SMEs be capable of profiting from the benefits of these new technologies? Using technology screening, this study identifies smart metering and mobile energy monitoring as digital technologies best addressing SMEs' specific demands. In addition, potentials and limitations of the technologies are investigated in two qualitative in-depth field trials. Barriers to adopting digitally enabled energy management practices are examined. The results indicate that visualising energy data enables SMEs to pursue new energy management practices for reducing energy consumption and costs (such as peak load analysis). SMEs need extensive guidance to identify and pursue these strategies. In conclusion, an exploratory adoption model for digitally enabled energy management practices is developed. Hypotheses for future experimental studies and policy implications are derived.
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: English
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    Aus der Gaskrise zu einer anpassungsfähigen klimaneutralen Grundstoffindustrie : Strukturwandel und eine starke industrielle Basis im Bereich der Grundstoffe schließen sich nicht aus (2023)
    Details
    Publication Date: 2023-04-03
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: German
    Type: contributiontoperiodical , doc-type:contributionToPeriodical
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    Die Vielen-Welten der Sustainable Finance : ein Gedankenexperiment zur Effektivität nachhaltiger Anlagen (2023)
    Berlin : Schmidt
    Details
    Publication Date: 2023-04-03
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: German
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    Warum kein Gas in der Fernwärmeversorgung? (2023)
    München : Siedler
    Details
    Publication Date: 2023-04-21
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: German
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    Energieversorgung im Zeichen von Energiewende und Klimawandel (2023)
    München : Siedler
    Details
    Publication Date: 2023-04-21
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: German
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    Interaktion digitaler und räumlicher Strukturen in der B2B-Kreislaufführung von Kunststoffen (2023)
    Details
    Publication Date: 2023-04-21
    Description: Ob die Rückführung von industriellen und gewerblichen Sekundärkunststoffen, das heißt von Abfällen bzw. von bereits wiederaufbereiteten Kunststoffrezyklaten, gelingen kann, ist von mehreren Faktoren wie insbesondere den spezifischen Materialeigenschaften, den Mengen, in denen sie anfallen, den aktuellen Marktpreisen (auch gegenüber Neuware) und auch der räumlichen Nähe von Sortier- bzw. Wiederaufbereitungsinfrastruktur abhängig. Trotz eigentlich guter Voraussetzungen für ein werkstoffliches Recycling, gelangen einzelne in Unternehmen anfallende Abfallchargen häufig in eine thermische Verwertung, weil sich ein Recycling wirtschaftlich nicht lohnt. Grund hierfür ist unter anderem, dass der Informationsaustausch zu den oben genannten Faktoren für Unternehmen häufig noch sehr mangelhaft ist. Aktuell in Entwicklung befindliche digitale Plattformen und Applikationen sowie zugehörige Geschäfts- und Betreibermodelle, welche Kunststoffverarbeiter untereinander sowie Wertstofferzeuger und -verwerter vernetzen sollen, können künftig höhere Recyclingquoten ermöglichen und ökologische Einsparpotenziale heben. Der Artikel führt Entwicklungen und Ergebnisse aktueller Forschungsprojekte zu solchen Vernetzungen zusammen, zeigt die aktuelle Situation des werkstofflichen Recyclings von industriellen und gewerblichen Kunststoffabfällen auf und beleuchtet welche Voraussetzungen für eine erfolgreiche Kreislaufführung von industriellen Kunststoffen gegeben sein müssen. Es wird insbesondere analysiert, in welcher Weise digitale Technologien und die durch sie erzielbare Informationstransparenz eine verbesserte Kreislaufwirtschaft bewirken können und in welcher Weise dies Wertschöpfungsnetzwerke räumlich beeinflussen kann.
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: German
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    Plastic credits - financing the transition to the global circular economy : final assessment report on the pilot regions Goa, Maharashtra, Kerala (2022)
    Wuppertal : Wuppertal Institut für Klima, Umwelt, Energie
    Details
    Publication Date: 2024-01-18
    Description: The project "Plastic Credits - Financing the Transition to the Global Circular Economy" supports the implementation of a waste management structure in India's rural regions. By that it aims to improve the current waste collection and treatment structures in the pilot regions Goa, Maharashtra, and Kerala. Herein, the project focuses on low value plastics (LVP), and especially multi-layer plastics (MLP), that have no market value. In order to analyze the environmental impacts of the project, an Environmental Impact Assessment (EIA) was conducted. The considered environmental components comprise: greenhouse gas emissions, usage of primary resources, impacts on marine and terrestrial wildlife, standard of living, and economic costs.
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: English
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    Agilität im unternehmerischen Innovationsprozess fördern : eine Kompetenzplattform für kleine und mittelständische Unternehmen (2023)
    Details
    Publication Date: 2024-01-29
    Description: Fortschreitende Digitalisierung und zunehmende Internationalisierung von Märkten bergen Herausforderungen für Unternehmen mit traditionell geprägten Arbeits- und Fertigungsstrukturen. Um den steigenden Anforderungen gerecht zu werden, sollten in diesen Unternehmen die digitale Arbeitsfähigkeit und Kompetenzen für Agilität ausgebaut werden. Dieser Beitrag beschreibt die Konzeption einer digitalen Plattform zur Steigerung derartiger Kompetenzen in kleinen und mittelständischen Unternehmen (KMU). Die digitale Kompetenzplattform soll insbesondere produzierenden KMU strukturschwacher Regionen helfen, ihre Agilität zu steigern und so zur Innovations- und Zukunftsfähigkeit des Unternehmens beitragen.
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: German
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    Minderungsansätze in der Energie- und Kreislaufwirtschaft (2024)
    Berlin : Springer Spektrum
    Details
    Publication Date: 2024-04-04
    Description: Die schnelle und umfassende Emissionsminderung in der Energie- und Kreislaufwirtschaft ist der Schlüssel für die Begrenzung der Erderwärmung auf unter 2 °C. In Deutschland werden entsprechende Politiken seit den 1990er-Jahren verfolgt, allerdings erst in jüngster Vergangenheit mit dem notwendigen Nachdruck und der notwendigen Orientierung hin zu mehr Marktmechanismen. Wesentliche Handlungsfelder sind Energieeinsparung und erhöhte Energieeffizienz, Umstieg auf erneuerbare Energien, Bepreisung von Klimagasen sowie eine Reduzierung und Schließung der Stoffkreisläufe. In allen Handlungsfeldern sind Grundlagen geschaffen, es bleibt jedoch der Großteil des Weges noch zu gehen, um Klimaneutralität zu erreichen. Für einen schnellen Fortschritt spielen neben der Überwindung der technischen, ökonomischen und organisatorischen Herausforderungen auch Verteilungsfragen und die Einbettung in internationale Maßnahmen eine zunehmende Rolle.
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: German
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    Fragliche Wirtschaftlichkeit kommunaler H2-Verteilnetze zu Heizzwecken : die Rolle der Bedarfs-Festschreibung für die Sicherung ihrer Finanzierung (2024)
    Details
    Publication Date: 2024-03-13
    Description: Deutschlands Haushalte werden, zu Beheizungszwecken, zu 70 % leitungsgebunden versorgt: 50 % mit Erdgas und 14 % mit Fernwärme; 5 % mit Elektrizität, davon je die Hälfte noch mit Nachtspeicherheizung, die andere Hälfte mit Wärmepumpen. So war es 2021. So wird es in Zukunft nicht sein, denn Erdgas ist ein Energieträger fossiler Herkunft. Dessen Nutzung geht in den nächsten beiden Jahrzehnten gen Null. Die Frage ist, was das für die Erdgasleitungen in Deutschland bedeutet.
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: German
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    Structural analysis of petrochemical clusters in Germany : what can be learned for the transformation towards climate-neutrality? (2024)
    Details
    Publication Date: 2024-03-13
    Description: The petrochemical industry is among the most relevant sectors from an economic, energetic and climate policy perspective. In Western Europe, production occurs in local chemical parks that form strongly connected and densely integrated regional clusters. This paper analyzes the structural characteristics of the petrochemical system in Germany and investigates three particularly distinct clusters regarding their challenges and chances for a transition towards climate-neutrality. For this, feedstock and energy supply, product portfolios and process integration as well as existing transformation activities are examined. We find that depending on their distinct network characteristics and location, unique and complex strategies are to be mastered for every cluster. Despite the many activities underway, none of them seems to have a strategic network to co-create a tailored defossilization strategy for the cluster - which is the core recommendation of this paper to develop.
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
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    Avoid, shift or improve passenger transport? : Impacts on the energy system (2024)
    Details
    Publication Date: 2024-03-07
    Description: Demand-side mitigation strategies have been gaining momentum in climate change mitigation research. Still, the impact of different approaches in passenger transport, one of the largest energy demand sectors, remains unclear. We couple a transport simulation model to an energy system optimisation model, both highly disintegrated in order to compare those impacts. Our scenarios are created for the case of Germany in an interdisciplinary, qualitative-quantitative research design, going beyond techno-economic assumptions, and cover Avoid, Shift, and Improve strategies, as well as their combination. The results show that sufficiency - Avoid and Shift strategies - have the same impact as the improvement of propulsion technologies (i.e. efficiency), which is reduction of generation capacities by one quarter. This lowers energy system transformation cost accordingly, but requires different kinds of investments: Sufficiency measures require public investment for high-quality public services, while efficiency measures require individuals to purchase more expensive vehicles at their own cost. These results raise socio-political questions of system design and well-being. However, all strategies are required to unleash the full potential of climate change mitigation.
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: English
    Type: article , doc-type:article
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    Transformation regionaler Infrastrukturen für einen sozial-ökologischen Strukturwandel : konzeptionelle Ansätze des Strukturwandels und Herausforderungen für sozial-ökologische Transformationen in den drei Braunkohlerevieren ; Teilbericht (2024)
    Dessau-Roßlau : Umweltbundesamt
    Details
    Publication Date: 2024-02-09
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: German
    Type: report , doc-type:report
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    Klimaneutral - geht das auch anders? : Der Contribution Claim als Strategie zur Erreichung globaler Klimaschutz- und Nachhaltigkeitsziele (2024)
    Details
    Publication Date: 2024-02-09
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: German
    Type: contributiontoperiodical , doc-type:contributionToPeriodical
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    Managing energy consumption by adapted energy performance contracting modes in rural China (2024)
    Details
    Publication Date: 2024-05-13
    Description: Energy performance contracting (EPC) as a market instrument has been effective in promoting energy efficiency worldwide, but it has encountered many insurmountable obstacles in rural energy management. In this study, based on the characteristics of energy management in rural areas, three EPC modes are designed and tested in 24,000 rural households. The test results show that two adapted EPC modes of local government involvement and energy payment directly from the national grid can effectively overcome the barriers encountered in the traditional EPC modes and work well under the economic and social environmental conditions in rural areas. The key to the adaptation of the traditional EPC modes is the introduction of the local government as the third party. Participation of the third party can effectively reduce and remove the barriers and risks and increase the mutual trust between the clients (households) and the energy service companies (ESCOs). Based on the testing results, this study suggests that governmental departments should formulate relevant EPC policies and technical guidelines within the rural context. This research recommends that farmers should not manage their energy services by themselves and it is suggested to out-contracting ESCOs by applying the modes developed and tested by this paper.
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
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    Towards a climate-neutral basic materials industry in North Rhine-Westphalia (2024)
    Details
    Publication Date: 2024-06-07
    Description: North Rhine-Westphalia (NRW) is the industrial center of Germany and one of the most important industrial locations in Europe. It is a key location for the energy-intensive basic materials industry like the production of steel and non-ferrous metals, (petro)chemicals, cement and lime, bricks, glass and ceramics, and paper. Around 20 % of NRW's total greenhouse emissions derive from industrial processes. By 2045, industry must achieve climate-neutrality, which requires a massive transformation effort. Technologically, this needs large-scale utilization of green hydrogen, carbon management, consequent circular economy, and climate-neutral production of process heat. Furthermore, various adjustments to the policy framework are essential.
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
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    Logic model for environmental, social, and governance (ESG) impact pathways and assessments (2024)
    Details
    Publication Date: 2024-06-07
    Description: The goal of this dissertation is to facilitate the assessment of impacts from sustainable measures and projects with an emphasis on impact reporting for Green, Social or Sustainability Bonds in the Sustainable Finance market. It does so by providing analysts with the means to develop, depict, formulate, and assess a causal hypothesis between an intervention and its subsequent effects in an impact-chain, represented by desired environmental (E), social (S) or governance (G) changes. This is achieved by developing a methodology for so-called ESG Logic Models or ESG-LM, that combine heuristic Theories-of-Change with propositional logic and Bayesian Reasoning. Three research questions are investigated and responded to. Research Question 1 asks how such Theories-of-Change can be developed for any type of ESG-related issue and how the different process steps in a causal chain can be classified, hierarchised, and prioritised regarding their efficacy towards overarching sustainability goals and their plausibility. Research Question 2 studies (a) the means by which the analyst or any other interested third party might be warranted in believing the causal claims from an ESG-LM, and (b) how an ESG-LM can be improved if this credence is low. Research Question 3 then looks at the reporting of impacts themselves regarding indicator selection, indicator assessment and indicator quantification as well as the provision of information on the contributions and attributions by different actors. The dissertation draws on a variety of theories and adapts existing methods to achieve that. It operationalises concepts from empirical Sustainable Finance research and already existing impact assessment methodologies. It adapts scholarly and practitioner approaches for theory-based evaluation and applies a qualitative social science perspective towards theory-building and evaluation, while some of the assessment tools in the dissertation are grounded in Logic, Set Theory and Bayesian Epistemology. Examples for such tools include rules for the Attribution by actors, heuristics for the abduction of plausible outcome pathways, or a four-stage Argument and Decision-Tree to assess the credibility of ESG-LM claims (based on Bayes Theorem). My assessment of the entire methodology is positive overall, as it provides solutions to each of the three research areas. Limitations of the approach, and thus opportunities for further research, are the additional expertise and time required by analysts compared to the existing, and somewhat more pragmatic, solutions in the current market. However, this is outweighed in my opinion by the ability of the framework to strongly mitigate impact washing by actors in the financial markets as well as biases by analysts. Its overall methodology also provides opportunities for new research angles in the area of sustainability indicators and assessments.
    Keywords: ddc:330
    Repository Name: Wuppertal Institut für Klima, Umwelt, Energie
    Language: English
    Type: doctoralthesis , doc-type:doctoralThesis
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    Electronic Resource
    Multicomponent determinations by a membrane-discriminated gas phase analyzer and successive regression in the fiduciary region (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 601-608 
    Details
    ISSN: 0886-9383
    Keywords: Gas phase flow injection analysis ; Membrane-differentiated analysis ; Multicomponent determinations ; Successive linear regression ; Successive regression in fiduciary region ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A membrane-discriminated gas phase analyzer is proposed for multicomponent determinations. Nitrogen gas flows countercurrent through outer and inner channels in a tube-in-tube arrangement. The only communication between the two channels occurs through a 500 μm aperture covered by a porous PTFE membrane. A mixture of organic compounds (up to four components) is injected into the inner channel by a heated backflushed injector and the sample components diffusing into the outer channel are monitored by a flame ionization detector (FID). A calibration set, consisting of pure components, binary, ternary and quaternary mixtures (a total of 64 samples), provides the known data base: temporal profiles of the FID output as a function of sample composition. Although the overall response behavior is not a linearly additive function of individual analyte concentrations, the use of successive inverse multiple linear regression (while continually altering the choice of the calibration samples considered for the forward regression, on the basis of the most recent values of the predicted unknown sample composition) is shown to yield analytical results for unknown samples that are in good agreement with their true values.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030408
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    Electronic Resource
    Product news (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 609-609 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030409
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    Electronic Resource
    Gas chromatography mass spectrometry of some thermally labile urea pesticides (1987)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 14 (1987), S. 39-42 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The application of gas chromatography/mass spectrometry to three thermally labile phenylurea pesticides is reported. Using alcohols as solvents the decomposition of the pesticides is followed by a reaction in which esters of N-(3,4-dichlorophenyl)carbamic acid are formed. As these reactions occur during the gas chromatographic analysis, it is the esters which are identified in the mass spectrometer. The methyl ester is itself a pesticide so an erroneous conclusion about the original pesticide could be reached when methanol is the solvent.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200140109
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    Electronic Resource
    252Cf plasma desorption fourier transform ion cyclotron resonance mass spectrometry (1987)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 14 (1987), S. 43-45 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The ions produced by 252Cf plasma desorption are detected by Fourier transform ion cyclotron resonance techniques. Results for CsI and N,N,N-trimethyl-p-aminophenolate iodide show the feasibility of the technique with high resolution (up to 11 000 at m/z 23) and good signal-to-noise ratio (up to 726).
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200140110
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    Electronic Resource
    Camera-ready BEMS short communications - guidelines for authors (1987)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 14 (1987), S. 47-48 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200140111
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  • 46
    Electronic Resource
    Electronic Resource
    BEMS short communication (camera-ready example) (1987)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 14 (1987), S. 49-50 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200140112
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    Forthcoming events (1987)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 14 (1987), S. 51-51 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200140113
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    Fast atom bombardment mass spectrometry of butyloxycarbonyl protected (BOC) peptides (1987)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 14 (1987), S. 53-61 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The fast atom bombardment positive ion mass spectra and the [M + H]+ collisional activation spectra of t-butyloxycarbonyl protected peptides and the unprotected analogues have been compared. It is concluded that sequence information, especially from the collisional activation spectra, can better be derived from the underivatized peptides than from the BOC-peptides.
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    Profiling and quantification of biogenic amines in wine by constant B2E linked scan mass spectrometry (1987)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 14 (1987), S. 229-233 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The constant B2E linked scan is shown to be an excellent tool for the profiling of biogenic amines in wine samples. The fragment ion at m/z 169 of the dansylated amines is used for the precursor ion search in combination with direct sample evaporation. Besides the profile a semi-quantification may be achieved when using suitable amines as internal standards with standard deviations of 12-17%. More accurate results with standard deviations of 3-5% are obtained when using deuterated analogues as internal standards. Both methods are applied to the analysis of biogenic amines in synthetic mixtures and actual wine samples.
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    URL: http://dx.doi.org/10.1002/bms.1200140506
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    252-Californium plasma desorption mass spectrometry of glycerophospholipids (1987)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 14 (1987), S. 241-246 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 252-Californium plasma desorption mass spectrometry was applied to the study of five different classes of phospholipids namely phosphatidylcholine, phosphatidylethanolamine, phosphatidylglycerol, phosphatidylserine and phosphatidylinositol. Positive and negative ion spectra were compared to spectra obtained using other ionization techniques. Plasma desorption mass spectra provide useful information on the molecular weight of compounds from all classes, particularly in the case of phosphatidylserine - a class that has failed to show satisfactory quasimolecular ions with either Fast atom bombardment, FAB or Field desorption, FD. The observed fragmentation is also indicative of the structure of the studied compounds.
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    URL: http://dx.doi.org/10.1002/bms.1200140508
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    Quantitative analysis of S3341 in human plasma and urine by combined gas chromatography - negative ion chemical ionization mass spectrometry: 15 month inter-day precision and accuracy validation (1987)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 14 (1987), S. 289-293 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A new quantitative assay for the determination of S3341, an alpha-2 agonist antihypertensive drug, has been developed using combined gas chromatography-negative ion chemical ionization mass spectrometry. The [M]-. ions from TFA derivatives of S3341 (m/z 276) and the internal standard (2H4)S3341 (m/z 280) are monitored simultaneously by selected ion monitoring. For S3341 concentrations ranging from the limit of detection (0.2 ng ml-1 using 1 ml of plasma) to 5 ng ml-1, the average assay precision (CV) is approximately 7% while the average assay accuracy (percentage of error) is 4%. Validation of the day-to-day precision and accuracy was realized after analysing control plasma samples (n = 295) concurrently with the biological samples collected during the pharmacokinetic studies conducted over 15 months. The average day-to-day precision (CV) and accuracy (percentage of error) are 10% and 6% respectively, thus indicating that this assay procedure routinely provides reliable analytical data.
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    URL: http://dx.doi.org/10.1002/bms.1200140608
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    Improvement in sensitivity of fast atom bombardment mass spectrometry of amino acids by di-isopropylphosphorylation (1987)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 14 (1987), S. 331-333 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Positive ion fast atom bombardment mass spectrometric sensitivities of seven amino acids and the corresponding di-isopropylphosphorylated derivatives were carefully compared. Results showed that an improvement in sensitivity by factors of 4-29, mostly above 10, were achieved after the derivatization. The chemical noise derived from glycerol matrix was also greatly reduced by this derivatization.
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    Analysis of cholesterol, cholesterol-5,6-epoxides and cholestane-3β,5α,6β-triol in nipple aspirates of human breast fluid by gas chromatography/mass spectrometry (1987)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 14 (1987), S. 335-338 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A method has been developed for the quantitative determination of cholesterol and three of its major oxidative metabolites (the 5α,6α-epoxide, the 3β,5α,6β-triol, and the 5β,6β-epoxide) in a single sample of human breast fluid (2-50 μl), using gas chromatography/mass spectrometry with selected ion monitoring. High specificity and reliable quantification is achieved by the use of the inverse stable isotope dilution method, employing deuterium-labeled variants of the compounds as internal standards.
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    URL: http://dx.doi.org/10.1002/bms.1200140707
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    Simultaneous determination of pool sizes and fractional turnover rates, of deoxycholic acid, cholic acid and chenodeoxycholic acid in man by isotope dilution with 2H and 13C labels and serum sampling (1987)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 14 (1987), S. 609-611 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper describes a method for simultaneous determination of the kinetics of the three major bile acids in man using (2,2,4,4-2H4) deoxycholic acid, (24-13C) cholic acid and (24-13C) chenodeoxycholic acid. The gas chromatographic/mass spectrometric-selected ion monitoring technique used provided complete separation of deoxycholic acid, cholic acid and chenodeoxycholic acid, which permitted simultaneous measurement of isotope ratios for all three bile acids. Since measurement of all three pool sizes and fractional turnover rates in a single experiment requires different isotopic labels for deoxycholic acid and cholic acid, we investigated the in vivo stability and applicability of (2,2,4,4-2H4) deoxycholic acid as a stable isotope marker for isotope dilution studies in man. No consistent differences were observed between deoxycholic acid pool sizes and fractional turnover rates determined in serum samples after administration of (2,2,4,4-2H4) deoxycholic acid and (24-13C) deoxycholic acid. Simultaneous administration of (2,2,4,4-2H4) deoxycholic acid (24-13C) cholic acid and (24-13C) chenodeoxycholic acid and isotope ratio measurements in serum permitted determination of pool sizes and fractional turnover rates of the three major bile acid and the 7α-dehydroxylation fraction. Pool sizes, fractional turnover rates and synthesis rates (input rates) agreed well with data obtained previously with (24-13C) labels in independent studies.
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    URL: http://dx.doi.org/10.1002/bms.1200141106
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    Identification of new steroids in patients with 17α-hydroxylase deficiency by capillary gas chromatography/mass spectrometry (1987)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 14 (1987), S. 633-637 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Urines of two children with 17α-hydroxylase deficiency contained a number of 5-pregnane- and pregnenediols, -triols and -tetrols with a hydroxy or oxo group in position 11 of the steroid ring. They are formed mainly from progesterone via 11-hydroxyprogesterone, pregnanolone and corticosterone, respectively, or from pregnenolone. Three metabolites not previously described, 16-hydroxypregnenolone, 6,21-dihydroxypregnanediol and 6-hydroxytetrahydrocorticosterone, were identified.
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    Gas chromatographic/mass spectrometric studies of the urinary metabolites of male rats given indan (1987)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 14 (1987), S. 649-651 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The identified urinary metabolites of male rats exposed to indan are: 1- and 2-indanone; 1-, 2- and 5-indanol; 2-and 3-hydroxyl-1-indanone; and cis- and trans-indan-1,2-diol. Indan causes kidney damage in male rats in a manner similar to the cyclic hydrocarbons cis- and trans-decalin and JP-10. Lesions produced by indan occur only in male rats and not in female or control rats.
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    URL: http://dx.doi.org/10.1002/bms.1200141114
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    Routine gas chromatographic/mass spectrometric analysis of urinary organic acids. Results over a three-year period (1987)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 14 (1987), S. 663-668 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Organic acidaemias are an important part of inborn errors of metabolism. The biochemical diagnosis is based on gas chromatographic/mass spectrometric identification of urinary organic acids. Since 1973 we have used gas chromatographic analysis of the methyl esters of urinary organic acids. Mass spectral identification was performed only when an abnormal gas chromatographic profile was suspected. In 1983 we introduced routine gas chromatographic/mass spectrometric analysis organic acids. More than 1500 urine samples from 1000 children have been analysed and we encountered more than 40 abnormal profiles: 18 classical organic acidaemias (propionic, methyl-malonic, isovaleric, glutaric type I and 3-hydroxy-3-methyl glutaric acidaemias); 6 aminoacidopathies with excretion of branched chain keto acids (leucinosis) or succinylacetone (tyrosinosis type I); 14 massive dicarboxylic acidurias with excretion of suberyl and hexanoyl glycine and deficiency of the medium chain acyl CoA dehydrogenase in four patients. The use of gas chromatography/mass spectrometry routinely allows the identification of abnormal metabolites excreted in small amounts: β-methyl-crotonyl glycine indicative of biotin deficiency: γ-hydroxybutyric acid; and 3-methyl-glutaconic + 3-methy-glutaric acid is in a 3-methyl-glutaconic aciduria type II. Abnormal profiles due to metabolites of drugs as valproate, salicylate and barbiturate can be recognized immediately. This simple gas chromatographic/mass spectrometric system can lead to diagnosis, in one day, of rare but severe diseases needing a specific and early treatment.
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    URL: http://dx.doi.org/10.1002/bms.1200141117
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    Determination of serum cortisol by thermospray liquid chromatography/mass spectrometry: Comparison with gas chromatography/mass spectrometry (1987)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 14 (1987), S. 717-722 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The determination of serum cortisol by thermospray liquid chromatography/mass spectrometry (LC/MS) has been assessed. The method incorporates stable isotope dilution and innumoadsorption extraction. [M + H]+ ions are monitored during LC/MS. The within-assay reproducibility is satisfactory (coefficient of variation 7% at a concentration of 190 ng ml-1), though inferior to that achieved with the (more lengthy) procedure of gas chromatography/mass spectrometry (GC/MS). Satisfactory agreement between LC/MS (y) and GC/MS (x) data was observed (y = 0.934x + 12.4 ng ml-1; r = 0.968; n = 14). It is concluded that the generation of precise reference data for the assessment of routine cortisol assays is at present better achieved by GC/MS. LC/MS, however, provides satisfactory quantitative data via a more simple and rapid method.
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    The alkylthio-isoindole derivatives of biogenic amines: A mass spectrometric study (1987)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 14 (1987), S. 737-738 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    URL: http://dx.doi.org/10.1002/bms.1200141208
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    Rapid quantification of 11 prostanoids by combined capillary column gas chromatography and negative ion chemical ionization mass spectrometry: Application to prostanoids released from normal human embryonic lung fibroblasts WI38 in a culture medium (1988)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 15 (1988), S. 25-32 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The rapid and simultaneous quantification of 11 prostanoids has been carried out with a short-capillary gas chromatograph and negative ion chemical ionization (ammonia) mass spectrometer.The methoxime-trimethylsilyl ether-pentafluorobenzyl esters (MO-TMS-PFB) of nine prostanoids, PGA1, PGA2, PGB1, PGB2, PGD2, PGE1, PGE2, 6-oxo-PGF1α and TXB2 and the TMS-PFB of two prostanoids, PGF1α and PGF2α, were separated in less than 5.5 min on a bonded OV-1 capillary column 0.25 mm i.d. × 6 m (0.15 μm thickness) using hydrogen as a carrier gas. PGD2, PGE2, PGF2α, 6-oxo-PGF1α and TXB2 were quantified up to 2.5 fmol injected (0.1 pmol derivatized) and both PGA2 and PGB2 up to 25 fmol injected (1 pmol derivatized).In order to maintain the stability of the prostanoids containing a carbonyl group, such as TXB2 during the purification and derivatization steps of biological materials, methyl acetate was used in place of methyl formate as an eluant for Sep-Pak C18 purification.Normal human embryonic lung fibroblasts W138 (5.63 × 105 cells in a log phase) produced: PGA2 15.28, PGB2 13.48, PGD2 7.95, PGE1 2.62, PGE2 177.76, PGF2α 25.14, 6-oxo-PGF1α 27.33 and TXB2 61.00 pmol in 10 ml of Eagle minimal essential medium.
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    Measurement of urinary lactic, 3-hydroxybutyric, pyruvic and acetoacetic acids in a single analysis using selected ion monitoring and stable isotope labelling techniques (1988)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 15 (1988), S. 57-62 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Sodium borodeuteride treatment of urine expected to have large concentrations of pyruvic and acetoacetic acids produces lactic and 3-hydroxybutyric acids labelled with deuterium. Mass fragmentographic techniques applied to the trimethylsilyated extract of the urine spiked with more extensively labelled analogues as internal standards permit the reliable determination of lactic, pyruvic, 3-hydroxybutyric and acetoacetic acids in a single analysis.
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    Characterization of trichothecenes by ammonia chemical ionization and tandem mass spectrometry (1988)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 15 (1988), S. 79-87 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Ammonia and deuterated ammonia chemical ionization (CI) mass spectra and collisionally activated dissociation (CAD) mass spectra of ammonium adduct ions are presented for ten trichothecenes. The samples were introduced by direct exposure probe. Effects of ion source temperature and pressure on the ammonia CI gas plasma and the formation of the ammonium adduct ion were studied. The CI conditions were optimized to produce a maximal yield for the ammonium adduct ion of trichothecenes, i.e. the parent ion for tandem mass spectral analysis. Besides source temperature and pressure, proton affinity and the stability of the ammonium adduct ion affect the relative abundance ratio of [M + H]+:[M + NH4]+ in ammonia CI and CAD mass spectra. The ratio [M + H]+:[M + NH4]+, and hence the stability of the ammonium adduct ion, are largely determined by the functional groups (hydroxy, carbonyl, acetoxy, and isovaleroyloxy) and their location in the trichothecene nucleus. The most abundant fragment ions in the ammonia CI spectra and the most abundant daughter ions in the CAD spectra of the ammonium adduct ions are formed by the losses of ammonia and functional groups as neutrals in various combinations.
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    The application of gas chromatographic/mass spectrometric techniques to spin trapping. Conversion of α-phenyl N-tert-butyl nitrone (PBN) spin adducts to stable trimethylsilylated derivatives (1988)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 15 (1988), S. 111-116 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The reaction of an aminoxyl and the corresponding hydroxylamine with silylating agents is studied in detail. The gas chromatographic/mass spectrometric analysis of the products is consistent with the production of an unsaturated product when an alkyl group with exchangeable hydrogens is attached to the nitrone group. The structure of this compound is confirmed by deuteration. It is concluded that aminoxyls themselves do not derivatize wth silylating agents.
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    Gas chromatography/mass spectrometry and gas chromatography/tandem mass spectrometry of methyl ester/methoxime/trimethylsilyl ether derivatives of prostaglandins (1988)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 15 (1988), S. 129-138 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Electron impact mass spectra of methyl ester/trimethylsilyl ether derivatives of prostaglandin F2α and methyl ester/methoxime/trimethylsilyl ether derivatives of prostaglandin E2, prostaglandin D2, 6-oxo-prostaglandin F1α and 2,3-dinor-6-oxo-prostaglandin F1α are presented. Most of the prostaglandins studied have additionally been 2H-labelled at different sites in order to assign the corresponding fragment ions. Collisionally activated decomposition mass spectra of the most intense parent ions in the high-mass region were taken. High-intensity, prostaglandin-characteristic daughter fragments will allow a reliable quantification of prostaglandins in biological fluids and a reduction of sample clean-up.
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    A gas chromatographic/mass spectrometric assay for catechol estrogens in microsomal incubations: Comparison with a radiometric assay (1988)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 15 (1988), S. 157-161 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A gas chromatographic/mass spectrometric assay for quantifying two catechol estrogens, 2-hydroxyestradiol and 4-hydroxyestradiol, in microsomal preparations is described. The assay employs deuterium-labeled analogs of the catechol estrogens as internal standards and permits quantification of catechol estrogens, in microsomal incubations, at low (1-2) μM concentrations. The compounds are analyzed as their trimethylsilyl derivatives following separation by capillary gas chromatography.
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    Electron capture negative ion chemical ionization analysis of arachidonic acid (1988)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 15 (1988), S. 175-178 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A highly sensitive (subpicomole level) and structural specific method for the analysis of arachidonic acid esterified to complex glycerophospholipids has been developed using combined capillary gas chromatography and mass spectrometry. The methodology is based upon the formation of the pentafluorobenzyl ester of arachidonic acid, which is efficiently ionized using electron capture negative ion chemical ionization conditions to yield an abundant carboxylate anion at m/z 301. Quantification is carried out following hydrolysis of the complex glycerophospholipid in the presence of a known amount of (2H8) araachidonic acid. The use of this method is illustrated by the quantification of arachidonic acid within the glycerophospholipid classes isolated from resident peritoneal macrophage cells isolated from HS mice.
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    Mass spectral investigations on trichothecene mycotoxins. V. Direct analysis of satratoxins by tandem mass spectrometric techniques (1988)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 15 (1988), S. 185-191 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Under chemical ionization conditions, satratoxins preferentially produce negatively charged molecular ions (M-·) over the positively charged protonated molecules. Collisionally activated dissociation of the M-· ions resulted in daughter ions and neutral losses which were characteristic of the macrocyclic ester bridges. Direct tandem mass spectrometric methods of analyses wee developed and applied for the detection and quantification of satratoxins in Stachybotrys atra fermentation broths. Minimum detectable levels for satratoxin standards were 5 pg. A synthetically modified macrocyclic trichothecene, 8-ketoverrucarin A, was used as an internal standard for the quantification of satratoxins in fermentation samples.
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    Thermospray liquid chromatography tandem mass spectrometry: Application to the elucidation of zolpidem metabolismThis work was presented in part at the 4th Symposium on Liquid Chromatography/Mass Spectrometry and Mass Spectrometry/Mass Spectrometry, Montreux (Switzerland), October 22-24, 1986. (1988)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 15 (1988), S. 223-228 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper discusses the possible advantages of thermospray liquid chromatography/tandem mass spectrometry LC/MS/MS for metabolic mapping. The technique was applied to the study of the metabolism of zolpidem, a new hypnotic with an imidazo-pyridine moiety. When compared to other chromatographic/mass spectrometric-based techniques, reversed phase high-performance liquid chromatography coupled with thermospray LC/MS/MS appears to be the fastest method available today for elucidation of unknown metabolic structures, since it allows identification by direct injection of concentrated urine. However, it was noted during the thermospray process that loss of formaldehyde from a hydroxymethyl amide metabolite occurred. This degradation was not observed when this metabolite was analysed by gas chromatography/mass spectrometry following trimethylsilylation.
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    Fast atom bombardment mass spectrometry of high-molecular-weight fraction of porphyrin-based photodynamic therapy drugs (1988)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 15 (1988), S. 257-263 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Photodynamic therapy (PDT) involves the treatment of tumor tissue with a photosensitizer and light to effect the delineation and/or eradication of the tumor. PDT is a two step process: (1) incorporation of photosensitizer into the cell where it must be retained by tumors in vivo; and (2) illumination of the tumor cell with light to effect cell death. Hematoporphyrin derivative (HPD) is a complex mixture of porphyrins currently used for PDT in the clinical setting. Hematoporphyrin-based oligomers of up to five subunits were determined using fast atom bombardment mass spectrometry of the high-molecular-weight fraction of the drug. Reduction of this fraction with LiAlH4 permitted determination of the covalent bond linking the monomers in these oligoporphyrins. Application of these analytical procedures to the determination of the composition of different preparations of HPD will be described.
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    (18O)quinolinic acid: Its esterification without back exchange for use as internal standard in the quantification of brain and CSF quinolinic acid (1988)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 15 (1988), S. 291-293 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In the process of developing a high-sensitivity negative chemical ionization gas chromatographic/mass spectrometric assay for brain and cerebrospinal fluid (CSF) levels of quinolinic acid (QUIN, 2,3-pyridine dicarboxylic acid), (18O4)QUIN was prepared. Its properties as an internal standard were compared with those of the structural isomer 2,4-pyridine decarboxylic acid (2,4-PDC) previously used by others. All oxygen atoms in QUIN were labeled by heating in 3N HCl/(18O)water for 48 h at 80°C. Back-exchange of (18O4)QUIN was prevented during derivatization to an electron-capturing dihexafluoropropanol ester by using trifluoroacetylimidazole as catalyst instead of perfluroacyl anhydrides. When mixtures of QUIN and (18O4)QUIN and/or 2,4-PDC were followed through a procedure to isolate and quantify brain and CSF QUIN, the variability in the ratio of QUIN:2,4-PDC was greater than for QUIN:(18O)QUIN. We conclude that (18O)QUIN is the preferred internal standard in gas chromatographic/mass spectrometric quantification of brain and CSF QUIN, and that (18O)-labeled carboxylic acids may be esterified effectively without back-exchange using acylimidazole reagents.
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    252CF plasma desorption mass spectrometry of a polycyclic peptide antibiotic, Nisin (1988)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 15 (1988), S. 305-310 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The polycyclic peptide antibiotic, Nisin, has been analysed by plasma desorption mass spectrometry using two different sample preparation techniques and two versions of the commercial plasma desorption mass spectrometer, and a prototype with high resolving power. The spectra obtained allow identification of a major component and two minor analogues. Extensive fragmentation is observed in samples prepared by the electrospray technique, whereas only ions indicating the molecular weight are produced when the sample is adsorbed on nitrocellulose.
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    URL: http://dx.doi.org/10.1002/bms.1200150602
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    Measurement of mevalonate in human plasma and urine by multiple selected ion monitoring (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 174-176 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Plasma levels and urinary excretion of mevalonate were reported to be correlated with cholesterol biosynthesis. Evaluation of mevalonate concentration in plasma and urine represents therefore a non-invasive method for studying the modifications of cholesterol synthesis. A method is described here by wich mevalonate in plasma and urine is determined by the selected ion monitoring technique after extraction as mevalonolactone and conversion into the trimethylsilyl ether. Linear responses were obtained in the evaluation of mevalonate added to plasma in the 10-100 ng/ml (r 〉 0.995) and to urine in the 50-1000 ng/ml concentration ranges, respectively. Identity of mevalonate in plasma and urine was confirmed by high-resolution mass spectrometry.
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    Fast atom bombardment of metal-pyochelin complexes: Metastable analysis at constant B/E of zinc-pyochelinMention of a trade name, proprietary product, or specific equipment does not constitute a guarantee or warranty by the US Department of Agriculture and does not imply its approval to the exclusion of other products that may be suitable. (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 185-191 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Fast atom bombardment (FAB) mass spectrometry was used to characterize the pyochelin complexes of iron and zinc. Ferripyochelin readily forms the [M + H]+ and [2M + H]+ ions in a glycerol matrix. The molecular ion was 2.5 fold more abundant when acetic acid was present. Iron was shown to be present in the iron-pyochelin complex as the ferric ion by wet chemical methods. Differentiation between ferric and ferrous ions by FAB was not successful owing to the FAB reducing environment. Ferric ions were reduced by FAB to ferrous ions in the following model salts - ferric chloride, ferric nitrate and ferric sulfate - when dissolved in either glycerol, thioglycerol or the magic bullet matrix. Ferric and ferrous chloride salts gave virtually identical spectra with a glycerol/acetic acid matrix. Zinc-pyochelin readily forms the [M + H]+ and [2M + H]+ ions, but only when acetic acid was present in the glycerol matrix. The FAB mass spectrum of zinc-pyochelin exhibited various fragmentations which can be used in structural analysis. Linked-scan at constant B/E and accurate mass data were used to characterize the fragmentations of the zinc-pyochelin complex. Metastable analysis allowed the fragmentation pathway of zinc-pyochelin to be determined.
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    Electron impact mass spectrometry of BHT and its alteration products (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 207-217 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The electron impact (EI) mass spectra of 2,6-di-tert-butyl-4-methylphenol (BHT) and certain of its alteration products are described in detail. Accurate mass measurements confirm the elemental compositions of important fragment ions in the EI spectra. Collisionally activated mass spectra are also used to study fragmentation and suggest common ion structures. The reference spectra provide the basis for identifying various alteration products of BHT by capillary gas chromatography/mass spectrometry (GC/MS) without the necessity of isolating individual components. Application of GC/MS is made to three studies: (i) pyrolysis of hydroperoxy-BHT as a potential pathway to alteration products in food; (ii) GC/MS pyrolysis of hydroperoxy-BHT as a model study; and (iii) alteration of BHT in ethanol/water as a food-simulating solvent.
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    Fast atom bombardment mass spectrometry of the D-aldohexoses and some deoxyaldohexoses (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 363-372 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The MI and CA spectra of selected positive and negative ions generated by fast atom bombardment (FAB) of the stereoisomeric aldohexoses can be used to differentiate among these isomers, without prior derivatization or addition of other substances. The main fragmentation routes were traced and compared to those of some 2- and 6-deoxyaldohexoses, which appeared to be suitable model compounds. In both positive and negative ion FAB mass spectrometry, the OH group at the C-2 position plays an important role in the fragmentation reactions of the pseudomolecular [M + glycerol + H]+ and [M - H]- ions.
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    Rapid identification of calbindin-D28k cyanogen bromide peptide fragments by plasma desorption mass spectrometry (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 387-393 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Chicken intestinal calbindin-D28k is an intracellular protein which is believed to have a fundamental role in vitamin D-mediated transport of calcium. A mapping approach based on 252Cf plasma desorption mass spectrometry (PD mapping) was used to screen the DNA-deduced sequence of calbindin-D28k for sequence changes and posttranslational modifications. In the PD mapping experiment, purified calbindin-D28k was cleaved with cyanogen bromide and the resulting peptides were subjected to PD mass spectrometric analysis either as a mixture or as high-performance liquid chromatography isolated fractions. The DNA-derived primary structure of calbindin-D28k was confirmed by rapid PD mass spectral identification of the CNBr peptide fragments, and the nature of the N-terminal blocking group was readily determined to be an acetyl group. The relatively non-destructive nature of the PD mass spectrometric analysis allowed the mapping of the N-terminal peptide through an additional in situ V8 protease enzymatic reaction.
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    Rapid determination of sequence variations in actinidin isolated from Actinidia chinensis (var. Hayward) using fast atom bombardment mapping mass spectrometry and gas phase microsequencing (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 424-428 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A current limitation in the use of fast atom bombardment (FAB) mass spectrometric mapping of peptide mixtures, derived from enzymic digestion of proteins, is that most of the hydrophilic peptides are not observed. However, it has been demonstrated from previous work that esterification of the peptide mixture results in the detection of almost all peptides in FAB mass spectrometry. This strategy of FAB mapping was applied to the protein actinidin, isolated from an Italian variety of Actinidia chinensis. Two of the 12 tryptic peptides in FAB mass spectrometry did not exhibit molecular ions predicted from the known sequence of actinidin isolated from the New Zealand variety of A. chinensis. The two peptides were isolated by high-performance liquid chromatography, subjected to Staphylococcus aureus V8 protease digestion and sequenced by gas-phase microsequencing. Nine changes in amino acid composition were detected using the rapid and powerful combination of FAB mass spectrometric mapping and gas-phase microsequencing.
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    Studies on anabolic steroids II - gas chromatographic/mass spectrometric characterization of oxandrolone urinary metabolites in manFor Part I see Ref. 1. (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 429-438 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The metabolism of 17α-methyl-17β-hydroxy-2-oxa-5α-androstan-3-one (oxandrolone) in man has been investigated by gas chromatography/mass spectrometry. After oral administration of a 10 mg dose to man, five metabolites were detected in the free fraction of the urinary samples. Oxandrolone, the major compound excreted in urine, was detected within 72 h after administration. During this period 35.8 and 8.4% of the administered dose was excreted as unchanged oxandrolone and 17-epioxandrolone, respectively. In addition, minute amounts of 16α- and 16β- hydroxyoxandrolone and a δ-hydroxy acid resulting from the hydrolysis of the lactone group of oxandrolone were detected in the urine samples 8-60 h after administration. Furthermore, the susceptibility of oxandrolone to hydrolysis was investigated under several pH conditions. Extraction and fractionation of steroidal metabolites was achieved by using C18 and silica Sep Pak™ chromatography. The mass spectra of the metabolites are presented and major fragmentation pathways discussed.
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    Gas chromatographic and gas chromatographic/tandem mass spectrometric characterization of precursors on the sesterterpene pathway for steroid biosynthesis (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 572-575 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An increasing amount of evidence is accumulating to support the proposal that steroidogenesis can occur by a sesterterpene pathway as well as the cholesterol pathway. Key intermediates on the sesterterpene pathway are 23,24-dinor-5-cholen-3β-ol (guneribol) and some of its metabolites, e.g. 23,24-dinor-4-cholen-3-one (guneribone). It has been reported that these intermediates are biosynthesized and converted to steroid hormones by a range of endocrine tissues in vitro. Monitoring the pentafluorobenzyloxime derivatives by negative ion chemical ionization mass spectrometry in the electron capture mode provided evidence for the presence of guneribone in extracts of bovine testicular and human adrenal tumour tissue. Complementary evidence was obtained from gas chromatographic/tandem mass spectrometric data generated on a triple-quadrupole instrument by monitoring daughter ions (in the multiple ion detection, MID mode) of the molecular anion of derivatized guneribone in both standards and tissue extracts. The present findings that sesterterpene pathway intermediates are present as endogenous compounds in tissue extracts, together with the previously reported radiochemical data, give further support to the sesterterpene pathway hypothesis.
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    Determination of cyclic butylboronate esters of some 1,2- and 2,3-diols in plasma by high-resolution gas chromatography/mass spectrometry (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 592-597 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A gas chromatographic/mass spectrometric analytical procedure is described to determine glycols in plasma as cyclic butyl boronate esters. The method, involving a pre-deproteinization step, required only 0.25 ml of plasma and a short time (20 min) to react with the derivatizing agent (butyl boronic acid). The gas chromatographic separation on a CP Sil 8 CB silica capillary column coupled to a mass detector assured a complete identification of the compounds. The analytical recoveries (〉95%) with low coefficient of variation (4-11%) assured the feasibility of the method over a concentration range from 5 to 1000 μg ml-1 for each glycol. The lower detection limits, namely 1-5 μg ml-1, confirmed the sensitivity of the method.
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    Isotope labelling of lipids using the Favorsky rearrangement (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 603-612 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The synthesis of tetradeuterated 10-methylundecanoic acid, dideuterated tetracos-2-enoic acid, (1-14C)pristanic acid and (1-14C)tetracos-2-enoic acid using the Favorsky rearrangement are described. They will be used for studies of long-chain fatty acid metabolism in patients. The positions of isotope labelling were determined by mass spectrometry.
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    Structure analysis of modified oligodeoxyribonucleotides by negative ion fast atom bombardment mass spectrometry (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 617-619 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Negative ion fast atom bombardment mass spectrometry is used to verify the sequence of oligodeoxyribonucleotides containing a single modified nucleotide. Both the position in the sequence and the molecular weight of the modified nucleotide can be determined from the 3′ and 5′-phosphate sequence ions which are prominent in the mass spectrum.
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    A comparison of positive ion and negative ion fast atom bombardment mass spectral data for some sulphonyl hydrazones and derivatives (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 620-623 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A number of sulphonyl hydrazones and derivatives have been synthesized and tested for biological activity as pesticides during the crop protection research programme at the Hatfield Polytechnic. A recent comparative ionization study of some of these compounds using electron impact (EI), fast atom bombardment (FAB) and various chemical ionization methods showed FAB mass spectrometry to be the optimum technique to use in terms of molecular weight information obtained. This study compares the FAB mass spectral data in positive and negative ion mode using an alternating positive and negative ion detection system.
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    Rapid structural analysis of the in vitro and in vivo metabolism of SK&F 95448 by the combined use of thermospray liquid chromatography/mass spectrometry and liquid chromatography/tandem mass spectrometry (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 637-644 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The thermospray liquid chromatography/mass spectrometry (LC/MS) interface has had a major impact on the direct analysis of the metabolic fate of xenobiotics in complex biological media. This paper outlines the rapidity and power of the LC/MS approach, and shows how detailed structural information can be obtained without recourse to individual compound isolation. This provides a great saving in time and effort. The additional specificity of liquid chromatography/tandem mass spectrometry is highlighted in identifying the sites of metabolic transformation. The ability to handle biological samples with little or no clean-up using wide high-performance liquid chromatographic gradients is a key feature of the success of this methodology.
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    Phytochemical studies on the essential oils of species belonging to the Achillea genus by gas chromatography/mass spectrometry (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 629-636 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Several populations of Achillea species were collected from Hungarian localities. The characteristic composition cf the essential oils of almost 220 populations were determined by gas chromatography/mass spectrometry. The main component of Achillea asplenifolia, A. setacea and A. collina oils is chamazulene, with a molecular mass of 184. The composition of some A. setacea is different: instead of chamazulene it contains a significant amount of farnesene. Oils of A. distans, A. crithmifolia, A. nobilis, A. pannonica and A. ochroleuca contain some different and specific compounds instead of chamazulene. During the analysis of many essential oils, we found some very interesting differences within species originating from another geographical area.
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    Gas chromatography/mass spectrometry and gas chromatography/mass spectrometry/mass spectrometry of methyl ester/methoxime/trimethylsilyl ether derivatives of thromboxanes (1988)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 15 (1988), S. 139-142 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Electron impact mass spectra of methyl ester/methoxime/trimethylsilyl ether derivatives of thromboxane B2 (TxB2) and 2,3-dinor-TxB2 and methyl ester/trimethylsilyl ether derivative of 11-dehydro-TxB2 are presented. Additionally, the derivatives of (2H4)-thromboxanes and methyl ester (2H3)-methoxime/trimethylsilyl ether derivatives of TxB2 and 2,3-dinor-TxB2 and (2H3)-methyl ester/trimethylsilyl ether derivative of 11-dehydro-TxB2 were investigated. Collision-induced dissociation mass spectra of the most intense parent ion in the high-mass region were taken. Collisionally activated decomposition mass spectra of the [C(12)-C(20)]+ ion of TxB2 and 2,3-dinor-TxB2 show an intense but not specific daughter ion, whereas the collison-induced dissociation mass spectrum of the [M - (C(16)-C(20)]+ ion of 11-dehydro-TxB2 results in the formation of numerous daughter ions.
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    Quantification of urinary 3-hydroxyisovaleric acid using deuterated 3-hydroxyisovaleric acid as internal standard (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 652-656 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Deficiency of biotin at the tissue level can be assessed indirectly by measuring the urinary excretion of 3-hydroxyisovaleric acid. This paper describes the application of an improved method of quantifying urinary 3-hydroxyisovaleric acid using unlabeled and uniformly deuterated 3-hydroxyisovaleric acid. These compounds were synthesized by a modification of the lithioacetic acid method for generation of beta-hydroxy acids. Elemental analysis, nuclear magnetic resonance, gas chromatographic and gas chromatographic/mass spectrometric data demonstrated that the compounds are greater than 95% pure. Mass spectrometry confirmed the identity of the unlabeled compound, demonstrated that the deuterated compound is uniformly labeled, and offered insight into the pattern of mass fragmentation. The method for determination of the concentration of 3-hydroxyisovaleric acid in rat urine uses gas chromatographic/mass spectrometric quantification of the di-trimethylsilyl derivative with the deuterated compound as the internal standard. Results provide evidence that this method is more accurate than a previously published method that did not utilize the unlabeled and deuterated standards.
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    Metabolic dissimilarity between (9,12,12-2H)cortisol and natural cortisol in vivo. Can deuterated cortisol be used for the measurement of the urinary cortisol production rate? (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 662-667 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The metabolism of deutrated cortisol (9,12,12,-2H)cortisol, (2H3-F) was compared to that of radioactive cortisol (3H2-F) and natural cortisol, when these three compounds were administered simultaneously to an adrenalectomized piglet. The relative isotope dilution of tritium was determined from the specific activities of the main urinary neutral cortisol metabolites, tetrahydrocortisone (THE) and tetrahydrocortisol (THF), normalized to that of the cortisol mixture administered. To obtain a comparison of the isotope dilution of deuterium in the metabolites THE and THF to that in the cortisol mixture, the three steroids were converted to the common oxidation product 11-oxo-aetiocholanolone, and deivatized to the methoxime-tert-butyl-dimethylsilyl ether. The relative 2H-isotope dilution then was measured by gas chromatography/mass spectrometry. It was found that the specific activity of THE in the cumulative urine collections was similar to that of the cortisol mixture administered; the two-day value was, however, less. The specific activity of THF was slightly but significantly smaller than 1 (∼0.9) at all times. The relative 2H-isotope dilution in THE was slightly but significantly larger than one (∼1.1) at all times, whereas that in the THF was larger than 1.0 at 9 and 32 h or equal to 1.0 at 20 and 47 h of urine collection. When comparing the metabolism of the two tracer cortisol species the quotient of the 3H- and the 2H-isotope dilutions in THE and THF was smaller than 1.0. It can be concluded that (2H3)cortisol may be used for the determination of the cortisol production rate.
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    Direct analysis of different classes of surfactants in raw materials and in finished detergent formulations by fast atom bombardment mass spectrometry (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 673-689 
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    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The characterization of the components of a surfactant mixture is a challenge, since we are dealing with substances inherently difficult to purify or separate by any available chromatographic methods. The results of the present work provide evidence that with fast atom bombardment mass spectrometry it is possible to identify the single constituents of the different clases of tensides - non-ionic, anionic, cationic and amphoteric - directly in the mixture and in detergent formulations (shampoos). The method, which is based on unambiguous molecular weight determination of the single components, allows the definition of the exact distribution of oligomers in the surfactant mixture, and distinction of subtle variations in the detergent composition in finished formulations. The results obtained indicate that this technique is a powerful analytical tool which can be used as a rapid screen test for quality control.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180907
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    Biotransformation of aliphatic formamides: Metabolites of (±)-N-methyl-N-(1-methyl-3,3-diphenylpropyl) formamide in ratsPresented in part at the 35th ASMS Meeting, Denver, Colorado, May 1987. (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 690-701 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The in vivo biliary and urinary metabolites of (±)-N-methyl-N-(1-methyl-3,3-diphenylpropyl) formamide (1) from male Wistar rats have been characterized by gas chromatography/mass spectrometry. In urine, non-conjugated metabolites included 1,1-diphenyl-3-butanone (4) and 3-methylamino-1,1, diphenylbutane (7). β-Glucuronidase liberated 4, 1,1-diphenyl-3-butanol (5), 1,1-diphenyl-3-butanone oxime (6), N-hydroxymethyl-N-(1-methyl-3, 3-diphenylpropyl) formamide (3), 1-(4-hydroxyphenyl)-1-phenyl-3-butanone (11), 1-(4-hydroxyphenyl)-1-phenyl-3-butanone oxime (12), N-methyl-N-(1-methyl-3-(4-hydroxyphenyl)-3-phenylpropyl) formamide (8), 1-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-butanone (16), 1-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-butanol (17), 1-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-butanone oxime (18), N-(1-methyl-3-(4-hydroxy-3-methoxyphenyl)-3-phenylpropyl) formamide (14) and N-methyl-N-(1-methyl-3-(4-hydroxy-3-methoxyphenyl)-3-phenylpropyl) formamide (13). Most of the carbinolamide (3) decomposed in the gas chromatograph inlet to N-(1-methyl-3,3-diphenylpropyl) formamide (2) unless stabilized as a trimethylsilyl (TMS) derivative. In bile, compounds 1, 2, 3, 5, 6, 11, 12 and 16 were present as non-conjugated metabolites. β-Glucuronidase also liberated N-(1-methyl-3-(4-hydroxyphenyl)-3-phenylpropyl) formamide (9), and all of the previously listed compounds except 7. Trimethylsilylation of the conjugated bile fraction revealed the presence of an additional two compunds: N-hydroxymethyl-N-(1-methyl-3-(4-hydroxyphenyl)-3-phenylpropyl) formamide (10) and N-hydroxymethyl-N-(1-methyl-3-(4-hydroxy-3-methoxyphenyl)-3-phenylpropyl) formamide (15). A stable carbinolamide metabolite standard was synthesized and the mass spectral fragmentations of its TMS derivative studied by tandem mass spectroscopy. This is the first report on stable carbinolamide metabolites of high-molecular-weight formamides.
    Additional Material: 6 Ill.
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    URL: http://dx.doi.org/10.1002/bms.1200180908
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    Parent ion spectroscopy in the identification of advanced glycation products (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 713-718 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Advanced glycation products have been investigated by parent ion spectroscopy, employing B2/E = constant linked scans of furoyl ions obtained from hydrolysed glycated albumin and polylysine mixtures, without any extraction procedures. Using such an instrumental approach, together with exact mass measurements and collision spectroscopy, the identification of 2-(2-furoyl)-4-hydroxyl-1H-imidazole and 2-(2-furoyl)-4-carboxy-1H-imidazole among the advanced glycation products has been achieved.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180911
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  • 92
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    Identification of long-chain fatty acids and alcohols from human cerumen by the use of picolinyl and nicotinate esters (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 719-723 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Human cerumen was hydrolysed with base and the constituents were examined as trimethylsilyl (TMS), methyl ester/TMS, picolinyl/TMS and nicotinate/TMS derivatives by gas chromatography and gas chromatography/mass spectrometry. A sample was also reacted with osmium tetroxide for double bond location. The major constituents were cholesterol, squalene and several series of long-chain fatty acids and alcohols. These latter compounds had chain lengths of 12-26 carbon atoms and were predominantly either straight-chain saturated or straight-chain unsaturated compounds. Saturated branched-chain acids with methyl groups predominantly on even-numbered carbon atoms were present but were less abundant. Unsaturated, branched-chain acids were also present. The major unsaturated acids contained unsaturation at the delta-6-position or were derived from these acids by chain elongation. The compounds were similar to those found in vernix caseosa. The mass spectra of picolinyl esters were, for the first time, shown to be capable of determining both the position of unsaturation and methyl branching in the same molecule.
    Additional Material: 6 Ill.
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    URL: http://dx.doi.org/10.1002/bms.1200180912
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    Tandem mass spectrometry of leucine enkephalin and physalaemin using a hybrid instrument (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 727-732 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Daughter ion mass spectral data of [M + H]+ ions of leucine enkephalin and physalaemin, which were formed by fast atom bombardment, were obtained using an instrument of EBQQ configuration. In the case of leucine enkephalin, experiments were carried out in which the collision energy was varied and the collision gas pressure kept constant and vice versa. The results show that conditions can be established under which seuqence-relevant ions above m/z 200 are formed, as well as under which mainly immonium and acylium type ions are generated. Of possible interest for characterization of unknown peptides, when using hybrid instruments, are the mid-chain cleavage ions, which, at a constant argon gas pressure of 5 × 10-6 mbat, were found to maximize at around 30 eV collision energy. Daughter ion mass spectral data are also presented for [M + H]+ ions of physalaemin (mol. wt 1264). Compared to data obtained for physalaemin on multisector instruments, our results indicate that the formation of mid-chain cleavage ions is clearly enhanced.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/bms.1200180914
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    Characterization of virus infected cell cultures by pyrolysis/direct chemical ionization mass spectrometry (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 757-760 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The supernatants of Vero cell cultures after infection with a herpes simplex virus or a poliomyelitis virus as well as a blank were analysed by pyrolysis/direct chemical ionization mass spectrometry (Py/DCI MS). Informative pyrogrammes were obtained and used for characterization of viral proteins by applying pattern recognition methods. Differentiation of viral proteins was evaluated by analysing ‘blind’ samples. Herpes viruses could be classified correctly but the observed differences between the blank and the polio virus supernatants were too small for reliable classification of the polio viruses. Purification of the samples seems to be a prerequisite for further studies. The potential value of Py/DCI MS as a rapid non-invasive diagnostic method for viral meningoencephalitis is stressed.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180919
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    Fast atom bombardment combined with tandem mass spectrometry for analysis of a complex mixture of lipo-oligopeptides from Nocardia rubra cell wallskeletonPart of the results in this paper have been presented at the 36th ASMS Conference on Mass Spectrometry and Allied Topics, San Francisco, USA, p. 1285 (1988). (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 761-766 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Experimental variables in fast atom bombardment combined with tandem mass spectrometry based on low-energy collision-induced dissociation have been systematically invetigated in order to optimize parameters for analysis of synthetic lipo-oligopeptides. The parameters studied were matrix, ion polarity, collision gas, collision gas pressure and collision energy. The optimal parameters recommended in this study have been applied to the N-terminal amino acid seuquence determination of lipopeptide obtained from Nocardia rubra cell wall skeleton. Daughter and parent ion experiments with negative ion fast atom bombardment combined with tandem mass spectrometry have proven to be very useful for structure elucidation of a complex mixture of lipo-oligopeptides.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180920
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    The determination of atmospheric bis (chloromethyl) ether by gas chromatography/tandem mass spectrometry (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 775-779 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The technique of gas chromatography/tandem mass spectrometry is applied to the analysis of bis(chloromethyl) ether in laboratory and production environments. A selected reaction monitoring method is shown to yield superior sensitivity and selectivity to previous methods. A detection limit of ∼1 ppt is established even for chemically complex atmospheres which have proved intractable by previous techniques.
    Additional Material: 6 Ill.
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    URL: http://dx.doi.org/10.1002/bms.1200180922
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    Sequence analysis of unprotected tri-deoxyribonucleoside diphosphates by 252Cf-plasma desorption mass spectrometryThis paper is part III of a series ‘252Cf-Plasma Desorption Mass Spectrometry of oligonucleotides’. Part II corresponds to Ref. 12. (1987)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 14 (1987), S. 83-90 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The negative Plasma Desorption Mass Spectra of ten unprotected tri-deoxyribonucleoside diphosphatesHereafter termed tri-deoxyribonucleotides. have been observed and analysed in detail. They all exhibit molecular ions as well as a characteristic fragmentation pattern. The ten trinucleotides selected were chosen in order to understand, in terms of sequence, the main features of the experimental spectra. It is shown that the structure and the sequence of the oligomers can be rapidly and easily derived from their PD Mass Spectrum.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200140206
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    Redox reactions occurring during secondary ion mass spectrometry of some heteroanthracycline antitumor antibiotic precursors (1987)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 14 (1987), S. 91-96 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Positive and negative secondary ion mass spectra of the title compounds were produced by bombardment of solid deposits by 13 and 23 KeV cesium ions, respectively, and analyzed with a time-of-flight mass spectrometer. In addition to familiar protonation and alkali (mainly sodium) ion addition processes observed in the positive ion spectra and proton abstractions in the negative ion spectra (which enable determination of molecular weight) there is evidence from both spectral modes for oxidation-reduction processes in which species such as [M - H]+, [M - H + Na]+. and [M + 1]- are formed. It is argued that these may be formed rapidly from pre-associated molecules during bombardment/ionization rather than as a result of radiation damage. Sodium ion addition is apparently facilitated by the presence of electron pair donor groups, especially if chelation is possible.
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/bms.1200140207
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    Isotope effect in negative ion chemical ionization mass spectrometry of deuterium labelled lormetazepam (1987)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 14 (1987), S. 257-261 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This study identified the reason for the poor quantification of Iormetazepam-TMS (1) using negative ion chemical ionization with lormetazepam-1,1,1-2H3-TMS (2) as an internal standard. Mass spectra of lormetazepam and its deuterium labelled compounds determined at various ion source temperatures (100-250°C) gave almost the same behaviour for 1 and lormetazepam-3′,4′,5′,6′-2H4-TMS (3) but a different one for 2, suggesting that the poor quantification was due to an isotope effect. This was confirmed by the findings that the ratios of ion currents of the base peaks of 1 and 3 were independent of the ion source temperature but those of 1 and 2 varied markedly with it. This phenomenon was also observed in the mass fragmentography of the molecular ion, although to a lesser degree than that of the above fragment. In both positive ion chemical ionization and electron impact ionization modes, no isotope effect arose because there was no corresponding fragment to cause the isotope effect.
    Additional Material: 9 Ill.
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    URL: http://dx.doi.org/10.1002/bms.1200140603
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  • 100
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    Simple mass spectrometric differentiation of the n-3, n-6 and n-9 series of methylene interrupted polyenoic acids (1987)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 14 (1987), S. 127-129 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A method is described to assign the positional series of methylene interrupted polyenoic acids, in complex mixtures, isolated from hydrolysed lipid extracts. It entails a simple comparison of the intensities of three ions of m/z 108, 150 and 192.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/bms.1200140306
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