A5037792768- Molecular spectroscopy and chirality
- NMR spectroscopy and applications
- Axial and Atropisomeric Chirality Synthesis
- Protein Structure and Dynamics
- Advanced NMR Techniques and Applications
- Marine Sponges and Natural Products
- Food Chemistry and Fat Analysis
- Mass Spectrometry Techniques and Applications
- Spectroscopy and Quantum Chemical Studies
- Biochemical Analysis and Sensing Techniques
- Advanced Chemical Sensor Technologies
- CO2 Reduction Techniques and Catalysts
- Atomic and Subatomic Physics Research
- Chemical Reactions and Mechanisms
- Thermodynamic properties of mixtures
- Edible Oils Quality and Analysis
- Enzyme Structure and Function
- Chemical synthesis and alkaloids
- Chemistry and Chemical Engineering
Bruker (Germany)
2024
Max Planck Institute for Multidisciplinary Sciences
2022
Max Planck Institute for Biophysical Chemistry
2020-2021
Robert Bosch (Germany)
2020
University of Göttingen
2017
Abstract NMR thermometers are a convenient way to determine the temperature inside sample of an spectrometer. They rely on signals with strongly temperature‐dependent chemical shifts, often OH groups; 99.8% perdeuterated methanol is established example which particularly well suited for modern, high‐sensitivity spectrometers, but it so far calibrated only in range 282 330 K. In this work, we extend calibration entire liquid methanol, 175 338 Additionally, use sensor traceably International...
Paramagnetic NMR constraints are very useful to study protein interdomain motion, but their interpretation is not always straightforward. On the example of particularly flexible complex Calmodulin/Munc13-1, we present a new approach characterize this motion with pseudocontact shifts and residual dipolar couplings. Using molecular mechanics, sampled conformational space used genetic algorithm find ensembles that in agreement data. We Bayesian information criterion determine ideal ensemble...
To reduce unwanted fat bloom in the manufacturing and storage of chocolates, detailed knowledge chemical composition molecular mobility oils fats contained is required. Although formation on chocolate products has been studied for many decades with regard to its prevention reduction, questions level still remain be answered. Chocolate nut-based fillings are especially prone undesirable bloom. The thought dominated by triacylglycerides matrix, which migrate chocolate’s surface recrystallize...
Abstract Anisotropic NMR has gained increasing popularity to determine the structure and specifically configuration of small, flexible, non‐crystallizable molecules. However, it suffers from necessity dissolve analyte in special media such as liquid crystals or polymer gels. Generally, small degrees alignment are also caused by an anisotropic magnetic susceptibility molecule, for example, induced aromatic moieties. For this mechanism, can be predicted via density functional theory. Here we...
Two new water-soluble phenanthroperylene quinones, gymnochrome H (2) and monosulfated A (3), as well the known compounds (4) D (5) were isolated from deep-sea crinoid Hypalocrinus naresianus, which had been collected in deep sea of Japan. The structures elucidated by spectroscopic analysis including HRMS, 1D 1H 13C NMR, 2D NMR. absolute configuration was determined ECD spectroscopy, J-couplings ROE contacts, DFT calculations. axial chirality all quinones (2-5) to be (P). For a (2'S,2″R)...
Abstract Anisotropic NMR has gained increasing popularity to determine the structure and specifically configuration of small, flexible, non‐crystallizable molecules. However, it suffers from necessity dissolve analyte in special media such as liquid crystals or polymer gels. Generally, small degrees alignment are also caused by an anisotropic magnetic susceptibility molecule, for example, induced aromatic moieties. For this mechanism, can be predicted via density functional theory. Here we...
Magnetisch induziertes Alignment kann in der NMR-Spektroskopie als bequemer Weg zur Bestimmung Konfiguration kleiner Moleküle genutzt werden. C. Griesinger et al. zeigen ihrer Zuschrift auf S. 15994, wie die anisotrope magnetische Suszeptibilität des Moleküls werden kann, um benötigten anisotropen NMR-Daten zu akquirieren. Der Ansatz wird am Beispiel neuartigen Naturstoffs Gymnochrom G demonstriert, aus einer Tiefsee-Krinoide isoliert wurde. Titelbildgestaltung: A. Savastano.
Nach dem Vorbild der natürlichen