Herzlich Willkommen / Welcome
Our research is focused on Magnetic Resonance, the only technique to solve structure and dynamics of molecules at atomic resolution in solution. We are interested both in methods development and application. The highly interdisciplinary method development comprises theory and experiment, involving equally quantum mechanical simulations and optimizations based on principles of optimal control theory, cognitive design of overall rf-pulse sequences to address specific measurement tasks, the development of special sample preparation procedures, and the design of hardware extensions. Questions regarding data interpretation are addressed by computational chemical approaches, including basic spectroscopic rules and simple alignment-tensor approaches as well as sophisticated molecular dynamics approaches with magnetic resonance-derived constraints and quantum chemical calculations. We apply NMR spectroscopy to solve interesting/important questions in chemistry, biology, material science and medicine.
More detailed information can be found in Research .
We are always looking for master and PhD students. Especially students with a strong background in either chemistry, physics, or mathematics are highly encouraged to apply. See the website angebotene Positionen for details. Specific projects for master theses can be found here.
M. E. Di Pietro, U. Sternberg, B. Luy, "Molecular Dynamics with Orientational Tensorial Constraints: A New Approach to Probe the Torsional Angle Distributions of Small Rotationally Flexible Molecules." J PHYS CHEM B 123 (40), 8480-8491 (2019).
X. Guo, C. Pfeifer, M. Wilhelm, B. Luy, G. Guthausen, "Structure of Superabsorbent Polyacrylate Hydrogels and Dynamics of Counterions by Nuclear Magnetic Resonance." Macromol. Chem. Phys. 220 (1800525), (2019).
X. Guo, K. S. Wetzel, S. C. Solleder, S. Spann, M. A. R. Meier, M. Wilhelm, B. Luy, G. Guthausen, "1H PFG‐NMR Diffusion Study on a Sequence‐Defined Macromolecule: Confirming Monodispersity." Macromol. Chem. Phys. 220 (1900155), (2019).
P. Tzvetkova, U. Sternberg, T. Gloge, A. Navarro-Vázquez, B. Luy, "Configuration Determination by Residual Dipolar Couplings: Accessing the Full Conformational Space by Molecular Dynamics with Tensorial Constraints", Chem. Sci. 10, 8774-8791 (2019).
X. Guo, K. S. Wetzel, S. C. Solleder, S. Spann, M. A. R. Meier, M. Wilhelm, B. Luy, G. Guthausen, "1H PFG‐NMR Diffusion Study on a Sequence‐Defined Macromolecule: Confirming Monodispersity." Macromol. Chem. Phys. (2019).
J. Haller, A. Bodor, B. Luy, "Real-time pure shift measurements for uniformly isotope-labeled molecules using X-selective BIRD homonuclear decoupling.", J. Magn. Reson 302, 64-71 (2019).
A. Götz, P. Högel, M. Silber, I. Chaitoglou, B. Luy, C. Muhle-Goll, C. Scharnagl, D. Langosch, "Increased H-Bond Stability Relates to Altered ε-Cleavage Efficiency and Aβ Levels in the I45T Familial Alzheimer’s Disease Mutant of APP", Scientific Reports 9, 5321 (2019).
A. Götz, N. Mylonas, P. Högel, M. Silber, H. Heinel, S. Menig, A. Vogel, H. Feyrer, D. Huster, B. Luy, D. Langosch, C. Scharnagl, C. Muhle-Goll, F. Kamp, H. Steiner, "Modulating hinge flexibility in the APP transmembrane domain alters γ-secretase cleavage", Biophysical Journal 116 (11), 2103-2120 (2019).
A. Hauser, P. Eisenmann, C. Muhle-Goll, B. Luy, A. Dötsch, D. Graf, P. Tzvetkova, "Efficient Extraction from Mice Feces for NMR Metabolomics Measurements with Special Emphasis on SCFAs" Metabolites 9 (3), 55 (2019).
M.R.M. Koos, B.Luy, "Polarization recovery during ASAP and SOFAST/ALSOFAST-Type Experiments", Journal of Magnetic Resonance 300, 61-75 (2019).
J. Becker, M.R.M. Koos, D. Schulze Sünninghausen, B.Luy, "ASAP-HSQC-TOCSY for Fast Spin System Identification and Extraction of Long-Range Couplings", Journal of Magnetic Resonance 300, 76-83 (2019).