Institution: Bruker BioSpin GmbH
Department: Research and Development
Role in project: Set Up of standardized automation procedures for NMR and LC-MS, development of database frame for extract spectra and pure natural products.
Contribution: Participation WP4, WP6 and WP7
Brief description of Organisation:
Bruker BioSpin GmbH is the worldwide leading producer of NMR spectrometers for High resolution-NMR, Solid State-NMR and Micro-Imaging with a world wide market share of 70%. It has led the way in introducing automatic sample changers, high throughput screening flow injection NMR systems, LC-NMR hyphenation and its extension to LC-SPE-NMR/MS as well as HR-MAS including its automation. It has introduced the first analytical system for Metabonomics and Plant Extract screening, combining integrated preparation with NMR and LC-MS in a synchronized mode using robotic systems.Due to its expertise in magnet technology, ultrashielded magnets have been developed, minimizing the stray field and disturbance of the environment and allowing hyphenation and integrated robotics. Bruker BioSpin offers new digital spectrometers, that allow to robustly measure samples in such a way, that automatic processing and input into statistics has become a reality. Bruker BioSpin is involved in several collaborations worldwide in the field of Natural Products and Metabonomics. A substantial part of the Metabonomcis Mixture Analysis efforts was in conjunction with Imperial College as part of the COMET consortium. It also collaborates with Nestle, several big pharma companies and Imperial College London in the development of a reference compound database for biofluids and food quality control, including spectra and so-called Meta-Information.
With regard to Natural Products it collaborates with Copenhagen University to develop a natural product spectral base and to develop novel LC-SPE-NMR/MS routines for rapid dereplication and identification of new natural products. It works with Pharmaceutical Institute of Innsbruck University on the evaluation of plant extracts. Another Collaboration with NTU in Taipeh is on finding new natural products using LC-SPE-NMR/MS. Also with the pharmaceutical chemistry institute of the Greifswald University and Baltic Analytics there is collaboration on natural product evaluation. Bruker BioSpin has access to multiple NMR spectrometers in its demo facility in Germany at different field strength up to 950 MHz. A Analytical Profiler at 600 MHz equipped with a LC-TOF is also available together with 2 instruments allowing LC-SPE-NMR/MS and has HR-MAS probes at 400/600 and 800 MHz available.
Short Profile of Staff and relevant experience:
- Dr.Manfred Spraul (1953) is the Director of NMR applications and the worldwide coordinator for NMR based hyphenation and high-throughput flow injection NMR. After a chemistry study he obtained his Ph.D. in Chemical Engeneering in Karlsruhe Technical University in 1984. During the Ph.D. work he was reasonable for the Analytical laboratory over 4 years at the Engler Bunte Institute. After University he joined Bruker BioSpin as application chemist for NMR and LC in 1985. He was promoted to manager of the NMR application group in 1989 and promoted director in 2004. During his work he was involved in build up of automation and post processing software development. He was and still is responsable for all the flow injection NMR and NMR-hyphenation development. Since 4 years he is guiding the database project for the biofluid reference compounds. He has more than 80 publications in various fields of NMR with main focus on Metabonomics and NMR-hyphenation on Natural Products as well as HR-MAS of tissues over the last years. He holds 11 patents.
- Birk Schütz (1980) is finishing a PHD as part of the NMR application team and is responsible for statistical developments as well as set up of databases for meta information under Oracle.
- Dr.Christian Fischer (1978) is part of the analysis software group at Bruker BioSpin and is responsable for the program package AMIX (analysis of mixtures). He got his Ph.D. from Duesseldorf University in Chemistry .
Selected publications in line with scope of the project:
- P.S. Belton, I. Delgadillo, E. Holmes, A. Nicholls, J.K. Nicholson and M. Spraul. Use of high field 1H NMR spectroscopy for the analysis of liquid foods. J. Agric. Food Chem. 44: 1483-1487 1996.
- P.S. Belton, I.J. Colquhoun, E.K. Kemsley, I. Delgadillo, P. Roma, M.J. Dennis, E. Holmes, J.K. Nicholson and M. Spraul. Application of chemometrics to the 1H NMR spectra of apple juices discrimination between apple varieties. Food Chemistry 61: 207-213 1998.
- Lommen, A., Godejohann, M., Venema, D. P., Hollman, P. C. H., & Spraul, M. (2000) Application of directly coupled LC-NMR-MS for the identification and confirmation of quercetin glycosides and phloretin glycosides in apple peel. Anal.Chem. 72: 1793-1797.