We describe the calixarene-cyclodextrin-coupling via click reaction starting from 5,11,17,23-tetra-tert-butyl-25,27-dipropargylether-26,28-hydroxy-calix[4]arene (calix[4]arene-dipropargylether) (2) onto 6I-azido-6I-deoxycyclomaltoheptaose (3) under microwave assisted conditions. The coupling was proven by MALDI-TOF mass spectrometry, ¹H NMR and IR-spectroscopy. The pH dependent supramolecular c...

A new technique capable of determining the static and dynamic structures of heme protein crystals is reported. It is shown that microcrystals of a variety of paramagnetic heme proteins, suspended in -90% saturated (NH&SO4, may be perfectly aligned by an intense static external magnetic field, H,, due to the large anisotropy in the magnetic susceptibility of the protein caused by the paramagneti...

Spectral resolution is vital in NMR spectroscopy, but is instrument-limited. Recent “pure shift” pulse-sequence developments greatly improve resolution, but often at a high cost in sensitivity. We introduce a new class of pure shift experiments (PSYCHE) with superior sensitivity, spectral purity, and tolerance of strong coupling. The key parameters for any spectroscopic technique are sensitivit...

The NMR/NQR group has continued its general research plan of studying current problems of condensed matter physics by employing NMR (nuclear magnetic resonance) and NQR (nuclear quadrupole resonance) methods. These spectroscopies allow one to investigate electronic properties in solids at a microscopic level and thus provide an essential contribution for a better understanding of the materials ...

Intelligent resource usage is one of the most challenging tasks for the wood-based panels industry. With respect to this issue, leather shavings, derived during leather preparation, are a promising new raw material, as they offer not only high availability, but also potentially enhance material properties such as panel fire retardancy. In order to improve the performance of these emerging panel...

MR offers unique tools for measuring molecular diffusion. This review focuses on the use of diffusion-weighted MR spectroscopy (DW-MRS) to non-invasively quantitate the translational displacement of endogenous metabolites in intact mammalian tissues. Most of the metabolites that are observed by in vivo MRS are predominantly located in the intracellular compartment. DW-MRS is of fundamental inte...

Nuclear magnetic resonance (NMR) spectroscopy uses the magnetic spin properties of atomic nuclei within a molecule to identify atoms that are close together in space (either because they are bonded together or because folds of a protein chain bring them together). This information is used to derive a three-dimensional model of a protein in solution (a ‘solution structure’). Only certain isotope...

Oligosaccharides of biological importance often exhibit branched covalent structures and dynamic conformational multiplicities. Here we report the application of a method that we developed, which combined molecular dynamics (MD) simulations and lanthanide-assisted paramagnetic NMR spectroscopy, to evaluate the dynamic conformational ensemble of a branched oligosaccharide. A lanthanide-chelating...

A novel approach to the determination of structure and potential dynamics in the solid-state NMR spectroscopy of half-integer quadrupolar nuclei is proposed and demonstrated. The new experiment combines into a single three-dimensional sequence, 2D multiple-quantum magic-angle-spinning NMR and 2D exchange NMR protocols. The result separates for each inequivalent chemical site its spin-diffusion ...

Structural characterization of complexes is crucial for a better understanding of biological processes and structure-based drug design. However, many protein–ligand structures are not solvable by X-ray crystallography, for example those with low affinity binders or dynamic binding sites. Such complexes are usually targeted by solution-state NMR spectroscopy. Unfortunately, structure calculation...