logo ipb
logo ipb mobile
x
  • Deutsch
  • English
Benutzeranmeldung
  • Research
    • Research Mission and Profile

    • Molecular Signal Processing

      • Secretariat & All Staff
      • Technical Resources
      • Publications
      • Research Groups
        • Nutrient Sensing
          • Projects
          • Staff
          • Publications
          • Collaborations
        • Symbiosis Signaling
          • Projects
          • Staff
          • Publications
          • Collaborations
        • Jasmonate Signaling
          • Projects
          • Staff
          • Publications
          • Collaborations
    • Bioorganic Chemistry

      • Secretariat & All Staff
      • Technical Resources
      • Publications
      • Research Groups
        • Bioactives
          • Projects
          • Staff
          • Publications
          • Collaborations
        • Natural Products & Metabolomics
          • Projects
          • Staff
          • Publications
          • Collaborations
        • Biotechnology
          • Projects
          • Staff
          • Publications
          • Collaborations
        • Biofunctional Synthesis
          • Projects
          • Staff
          • Publications
          • Collaborations
        • Computational Chemistry
          • Projects
          • Staff
          • Publications
          • Collaborations
        • Data & Resources
          • Projects
          • Staff
          • Publications
          • Collaborations
    • Biochemistry of Plant Interactions

      • Secretariat & All Staff
      • Technical Resources
      • Publications
      • Research Groups
        • Calcium-dependent Protein Kinases
          • Projects
          • Staff
          • Publications
          • Collaborations
        • Cellular Signaling
          • Projects
          • Staff
          • Publications
          • Collaborations
        • Metabolite-based Defense Mechanisms
          • Projects
          • Staff
          • Publications
          • Collaborations
        • Nuclear Processes in Plant Defense
          • Projects
          • Staff
          • Publications
          • Collaborations
    • Cell and Metabolic Biology

      • Secretariat & All Staff
      • Technical Resources
      • Publications
      • Research Groups
        • Glandular Trichomes and Isoprenoid Biosynthesis
          • Projects
          • Staff
          • Publications
          • Collaborations
        • Jasmonate Function & Mycorrhiza
          • Projects
          • Staff
          • Publications
          • Collaborations
        • Phenylpropanoid Metabolism
          • Projects
          • Staff
          • Publications
          • Collaborations
        • Synthetic Biology
          • Projects
          • Staff
          • Publications
          • Collaborations
    • Independent Junior Research Groups

      • Research Groups
        • Receptor Biochemistry
          • Projects
          • Staff
          • Publications
          • Collaborations
    • Program Center MetaCom

      • Secretariat & All staff
      • Publikationen
      • Our Equipment
      • Research Groups
        • Metabolomics Facility
          • Projects
          • Staff
          • Publications
          • Methods
        • MetaCom Analytical Laboratory
          • Projects
          • Staff
          • Publications
          • Methods
        • Computational Plant Biochemistry
          • Projects
          • Staff
          • Publications
          • Collaborations
        • MetaCom Junior Research Group
          • Projects
          • Staff
    • Publications

    • Good Scientific Practice

    • Research Funding

    • Networks and Collaborative Projects

      • Collaborative Projects as Coordinator
        • Completed Projects as Coordinator
      • Collaborative Projects as Partner
        • Completed Projects as Partner
      • Networks
    • Symposia and Colloquia

      • Lectures
        • IPB Seminars
      • Leibniz Plant Biochemistry Symposia
        • 2025 Symposium
    • Alumni Research Groups

      • Research Groups
        • Auxin Signaling
          • Projects
          • Publications
        • Bioorganic Chemistry
          • Projects
          • Publications
        • Designer Glycans
          • Projects
          • Publications
        • Jasmonate Mode of Action
          • Publications
        • Protein Recognition and Degradation
          • Projects
          • Publications
        • Regulatory RNAs (MLU-associated group)
          • Projects
          • Publications
        • Signal Integration
          • Projects
          • Publications
        • Ubiquitination in Immunity
          • Projects
          • Publications
        • Cellular Coordination
          • Projects
          • Publications
  • Infrastructure
    • Databases and Tools

      • XCMS
      • Rdisop
      • CAMERA
      • MetShot
      • MassBank
      • MetFrag
      • MetFamily
      • PaCeQuant
      • CytoskeletonAnalyzer
      • GoldenMutagenesis
      • cisHighlight
      • FlagScreen
      • RootDetection
    • Technical Resources

    • Imaging Unit

    • Greenhouses and Phytochambers

    • Library Services

      • OPAC
      • Electronic Journals Library
      • Service for Employees
  • Institute
    • Organizational Chart

    • Management and Boards

      • Board of Trustees
      • Scientific Advisory Board
      • IPB Management / Board of Directors
      • Scientific Council
      • Authorized Representatives of the IPB
      • Staff Council
      • Statutes
    • Administration and Infrastructure

      • Secretariat & All Staff
      • Working Groups
        • Human Resources
        • Finance & Accounting
        • Purchasing
        • IT & Technical Support
        • Experimental Nursery
        • Facility Management
        • Library
        • Digitalization
    • Energy Management

      • Objectives and Measures
      • Energy Management Team
    • Diversity, Family, Equality

      • Diversity
      • Equality
      • Family Support
      • Training and further Education
      • Integration and Health
      • General Equal Treatment Act
    • Public Tendering

    • Patents and Licensing

    • The IPB Welcoming Culture

    • Guest Houses

    • IPB Site Map

    • Brief IPB History

      • Bildergalerie zur Historie
      • Alte Filmsequenzen zum Institut
      • Historischer Massenspektrograph
    • Alumni Network

      • The IPB as a career launching pad
  • Career
    • Data protection information for applicants

    • PhD Program

      • PhD Student Representatives
      • DoCou - Doctoral Training Courses
      • PSSC
    • Postdocs

    • Berufsausbildung

  • Public Relations
    • News

      • 2024
      • 2023
      • 2022
      • Archiv Aktuelles
        • 2021
        • 2020
        • 2019
        • 2018
        • 2017
        • 2016
        • 2015
        • 2014
        • vor 2014
    • News Ticker Science

      • News Ticker 2024
      • News Ticker 2023
      • News Ticker 2022
      • News Ticker Archive
        • News Ticker 2021
        • News Ticker 2020
        • News Ticker 2019
    • Press Releases

      • 2024
      • 2023
      • 2022
      • Archive Press Releases
        • 2021
        • 2020
        • 2019
        • 2018
        • 2017
        • 2016
        • 2015
        • 2014
        • 2013
        • 2012
        • 2011
        • 2010
        • 2009
        • 2008
        • 2007
        • 2006
        • 2005
        • 2004
        • 2003
        • 2002
    • IPB Pressespiegel

    • LANGE NACHT, DIE WISSEN SCHAFFT: PROGRAMM

    • IPB Newsletter

    • Printed / Information Material

    • Scientific Reports / Research Highlights

    • Events

      • 2024 Long Night of Sciences
      • 2024 Leibniz Plant Biochemistry Symposium
      • Archiv Veranstaltungen
    • Cover Art

    • Citizen Science: Pilzberatung

      • Das Reich der Pilze
      • Pilzberatung
      • Forschung an Pilzen
  • Contact
    • Directions for Visitors

    • Staff Directory

    • Imprint

    • Data Protection

    • Accessibility

  1. IPB Halle
  2. Research
  3. Publications

    • Research Mission and Profile
    • Trenner 0
    • Molecular Signal Processing
      • Secretariat & All Staff
      • Technical Resources
      • Publications
      • Research Groups
        • Nutrient Sensing
        • Symbiosis Signaling
        • Jasmonate Signaling
    • Bioorganic Chemistry
      • Secretariat & All Staff
      • Technical Resources
      • Publications
      • Research Groups
        • Bioactives
        • Natural Products & Metabolomics
        • Biotechnology
        • Biofunctional Synthesis
        • Computational Chemistry
        • Data & Resources
    • Biochemistry of Plant Interactions
      • Secretariat & All Staff
      • Technical Resources
      • Publications
      • Research Groups
        • Calcium-dependent Protein Kinases
        • Cellular Signaling
        • Metabolite-based Defense Mechanisms
        • Nuclear Processes in Plant Defense
    • Cell and Metabolic Biology
      • Secretariat & All Staff
      • Technical Resources
      • Publications
      • Research Groups
        • Glandular Trichomes and Isoprenoid Biosynthesis
        • Jasmonate Function & Mycorrhiza
        • Phenylpropanoid Metabolism
        • Synthetic Biology
    • Independent Junior Research Groups
      • Research Groups
        • Receptor Biochemistry
    • Program Center MetaCom
      • Secretariat & All staff
      • Publikationen
      • Our Equipment
      • Research Groups
        • Metabolomics Facility
        • MetaCom Analytical Laboratory
        • Computational Plant Biochemistry
        • MetaCom Junior Research Group
    • Trenner 1
    • Publications
    • Good Scientific Practice
    • Research Funding
    • Trenner
    • Networks and Collaborative Projects
      • Collaborative Projects as Coordinator
        • Completed Projects as Coordinator
      • Collaborative Projects as Partner
        • Completed Projects as Partner
      • Networks
    • Symposia and Colloquia
      • Lectures
        • IPB Seminars
      • Leibniz Plant Biochemistry Symposia
        • 2025 Symposium
    • Trenner
    • Alumni Research Groups
      • Research Groups
        • Auxin Signaling
        • Bioorganic Chemistry
        • Designer Glycans
        • Jasmonate Mode of Action
        • Protein Recognition and Degradation
        • Regulatory RNAs (MLU-associated group)
        • Signal Integration
        • Ubiquitination in Immunity
        • Cellular Coordination

Advanced Search

  • Type of publication
    • Publication (1)
  • Year
    • 2014 (1)
  • Journal / Volume / Preprint Server Sorted by frequency and by alphabetical order
    • J. Mass Spectrom. (1)
      J. Nat. Prod. (1)
      J. Pharm. Biomed. Anal. (1)
      Metabolomics (1)
      Phytochem. Anal. (1)
      Phytochemistry (1)
      Plant Cell (1)
      Plant Signal Behav. (1)
      Z. Mykol. (1)
      Z. Naturforsch. B (1)
      arXiv (1)
  • Author Sorted by frequency and by alphabetical order
    • Neumann, S. (10)
      Farag, M. A. (5)
      Viant, M. R. (5)
      Ebbels, T. (4)
      Goodacre, R. (4)
      Kopka, J. (4)
      Porzel, A. (4)
      Rocca-Serra, P. (4)
      Salek, R. M. (4)
      Wessjohann, L. A. (4)
      Correa, E. (3)
      Griffin, J. L. (3)
      Hankemeier, T. (3)
      Haug, K. (3)
      Nikolski, M. (3)
      Oresic, M. (3)
      Sansone, S.-A. (3)
      Schober, D. (3)
      Steinbeck, C. (3)
      Arita, M. (2)
      Billiau, K. (2)
      Bouwman, J. (2)
      Böttcher, C. (2)
      Cascante, M. (2)
      Conesa, P. (2)
      Creek, D. J. (2)
      Dartigues, B. (2)
      Dayalan, S. (2)
      Deborde, C. (2)
      Dunn, W. B. (2)
      Günther, U. L. (2)
      Hao, J. (2)
      Hummel, J. (2)
      Jacob, D. (2)
      Luchinat, C. (2)
      Ludwig, C. (2)
      Marin, S. (2)
      Moing, A. (2)
      O’Hagan, S. (2)
      Reijmers, T. (2)
      Rolin, D. (2)
      Rosato, A. (2)
      Sysi-Aho, M. (2)
      Tenori, L. (2)
      Turano, P. (2)
      Walther, D. (2)
      van Vliet, M. (2)
      Blatt-Janmaat, K. (1)
      Breitling, R. (1)
      Brown, M. (1)
      El Senousy, A. S. (1)
      El-Ahmady, S. H. (1)
      Erban, A. (1)
      Fiehn, O. (1)
      Gaquerel, E. (1)
      Gonzalez-Beltran, A. (1)
      Grosse, I. (1)
      Hall, R. D. (1)
      Hastings, J. (1)
      Jones, A. R. (1)
      Koulman, A. (1)
      Kuhl, C. (1)
      Lei, Z. (1)
      Lübken, T. (1)
      Maamoun, A. A. (1)
      Mahrous, E. A. (1)
      Meyer, A. (1)
      Mistrik, R. (1)
      Mülbradt, J. (1)
      Peters, K. (1)
      Qu, Y. (1)
      Scheel, D. (1)
      Schmidt, F. (1)
      Schmidt, J. (1)
      Schmidt, S. (1)
      Schymanski, E. L. (1)
      Smith, J. (1)
      Strehmel, N. (1)
      Sumner, L. W. (1)
      Thum, A. (1)
      Trengove, R. (1)
      Trutschel, D. (1)
      Vizcaíno, J.-A. (1)
      Weber, R. J. M. (1)
      Wessjohann, L. (1)
      Wolfender, J.-L. (1)
      Ziegler, J. (1)
  • Year
  • Type of publication
Search narrowed by: Journal / Volume / Preprint Server Sorted by frequency and by alphabetical order: Metabolomics Author Sorted by frequency and by alphabetical order: Lübken, T. Remove all filters
Displaying results 1 to 1 of 1.
  • Results as:
  • Print view
  • Endnote (RIS)
  • BibTeX
  • Table: CSV | HTML
Results per page:
  • 1

Publications

Farag, M. A.; Mahrous, E. A.; Lübken, T.; Porzel, A.; Wessjohann, L.; Classification of commercial cultivars of Humulus lupulus L. (hop) by chemometric pixel analysis of two dimensional nuclear magnetic resonance spectra Metabolomics 10 21-32 (2014) DOI: 10.1007/s11306-013-0547-4
  • Abstract
  • BibText
  • RIS

The development of fast and effective spectroscopic methods that can detect most compounds in an untargeted manner is of increasing interest in plant extracts fingerprinting or profiling projects. Metabolite fingerprinting by nuclear magnetic resonance (NMR) is a fast growing field which is increasingly applied for quality control of herbal products, mostly via 1D 1H NMR coupled to multivariate data analysis. Nevertheless, signal overlap is a common problem in 1H NMR profiles that hinders metabolites identification and results in incomplete data interpretation. Herein, we introduce a novel approach in coupling 2D NMR datasets with principal component analysis (PCA) exemplified for hop resin classification. Heteronuclear multiple bond correlation (HMBC) profile maps of hop resins (Humulus lupulus) were generated for a comparative study of 13 hop cultivars. The method described herein combines reproducible metabolite fingerprints with a minimal sample preparation effort and an experimental time of ca. 28 min per sample, comparable to that of a standard HPLC run. Moreover, HMBC spectra provide not only unequivocal assignment of hop major secondary metabolites, but also allow to identify several isomerization and degradation products of hop bitter acids including the sedative principal of hop (2-methylbut-3-en-2-ol). We do believe that combining 2D NMR datasets to chemometrics, i.e. PCA, has great potential for application in other plant metabolome projects of (commercially relevant) nutraceuticals and or herbal drugs.

  • 1

Print

  • IPB Halle
  • News
  • Lectures
  • Publications
  • Public Tendering
  • IPB Remote & Mail
  • Imprint
  • Data Protection
  • Accessibility
  • Die Leibniz-Gemeinschaft
  • Wege zu einer pflanzenbasierten Wirtschaft
  • Martin-Luther Universität Halle
  • Erfolgsfaktor Familie
  • TOTAL E-QUALITY
  • Research
    • Research Mission and Profile

    • Molecular Signal Processing

    • Bioorganic Chemistry

    • Biochemistry of Plant Interactions

    • Cell and Metabolic Biology

    • Independent Junior Research Groups

    • Program Center MetaCom

    • Publications

    • Good Scientific Practice

    • Research Funding

    • Networks and Collaborative Projects

    • Symposia and Colloquia

    • Alumni Research Groups

  • Infrastructure
    • Databases and Tools

    • Technical Resources

    • Imaging Unit

    • Greenhouses and Phytochambers

    • Library Services

  • Institute
    • Organizational Chart

    • Management and Boards

    • Administration and Infrastructure

    • Energy Management

    • Diversity, Family, Equality

    • Public Tendering

    • Patents and Licensing

    • The IPB Welcoming Culture

    • Guest Houses

    • IPB Site Map

    • Brief IPB History

    • Alumni Network

  • Career
    • Data protection information for applicants

    • PhD Program

    • Postdocs

    • Berufsausbildung

  • Public Relations
    • News

    • News Ticker Science

    • Press Releases

    • IPB Pressespiegel

    • LANGE NACHT, DIE WISSEN SCHAFFT: PROGRAMM

    • IPB Newsletter

    • Printed / Information Material

    • Scientific Reports / Research Highlights

    • Events

    • Cover Art

    • Citizen Science: Pilzberatung

  • IPB Remote & Mail