A5048254318- Advanced NMR Techniques and Applications
- Electron Spin Resonance Studies
- Atomic and Subatomic Physics Research
- Lanthanide and Transition Metal Complexes
- Solid-state spectroscopy and crystallography
- NMR spectroscopy and applications
- Muon and positron interactions and applications
- N-Heterocyclic Carbenes in Organic and Inorganic Chemistry
- Chemical Synthesis and Analysis
- Molecular spectroscopy and chirality
- Carbohydrate Chemistry and Synthesis
- Physics of Superconductivity and Magnetism
- Carbon dioxide utilization in catalysis
- Magnetism in coordination complexes
- Biochemical and Structural Characterization
- Metal-Organic Frameworks: Synthesis and Applications
- Nonlinear Optical Materials Research
- Cyclopropane Reaction Mechanisms
- Asymmetric Hydrogenation and Catalysis
- Chemical Synthesis and Characterization
- Protein Structure and Dynamics
Technical University of Darmstadt
2013-2019
Institute of Inorganic Chemistry of the Slovak Academy of Sciences
2016
For the first time, chemical exchange saturation transfer (CEST) nuclear magnetic resonance (NMR) is utilized to study short-lived hydride intermediates in catalytic cycle of an organometallic complex [Ir(IMes)(Py)3(H)2]Cl. These complexes are typically not observable by other NMR techniques because they low concentrated and undergo reversible ligand with main complex. The intermediate [Ir(Cl)(IMes)(Py)2(H)2] [Ir(CD3OD)(IMes)(Py)2(H)2] detected, assigned, characterized solution, situ at room...
The 1H NMR signal of dissolved molecular hydrogen enriched in parahydrogen (p-H2) exhibits the presence an organometallic hydrogenation catalyst unusual, partially negative line shape (PNL). It results from a strongly enhanced two-spin order connected to population T0 level orthohydrogen (o-H2). This is made visible by slow asymmetric exchange process between free and transient catalyst-hydrogen complex. By Only Parahydrogen Spectroscopy (OPSY) it possible selectively detect suppress thermal...
Abstract Two‐dimensional NMR spectroscopy is one of the most important spectroscopic tools for investigation biological macromolecules. However, due to low sensitivity spectroscopy, it takes usually from several minutes many hours record such spectra. Here, possibility detecting a bioactive derivative sunflower trypsin inhibitor‐1 (SFTI‐1), tetradecapeptide, by combining parahydrogen‐induced polarization (PHIP) and ultrafast 2D shown. The PHIP activity inhibitor was achieved labeling with O...
Abstract A series of novel bioactive derivatives the sunflower trypsin inhibitor‐1 (SFTI‐1) suitable for hyperpolarization by parahydrogen‐induced polarization (PHIP) was developed. The PHIP activity achieved labeling with L ‐propargylglycine, O ‐propargyl‐ ‐tyrosine, or 4‐pentynoic acid. 1 H NMR signal enhancements (SE) up to a factor 70 were in aqueous solution. We found that an isolated spatial location triple bond within respective label and its accessibility hydrogenation catalyst are...
Abstract Fluorinated substances are important in chemistry, industry, and the life sciences. In a new approach, parahydrogen‐induced polarization (PHIP) is applied to enhance 19 F MR signals of (perfluoro‐ n ‐hexyl)ethene ‐hexyl)ethane. Unexpectedly, end‐standing CF 3 group exhibits highest amount despite negligible coupling added protons. To clarify this non‐intuitive distribution polarization, signal enhancements deuterated chloroform acetone were compared F– NOESY spectra, as well T 1...
The unsaturated side chain of L-propargylglycine (Pra) was used to study parahydrogen-induced polarization (PHIP) in synthetic oligopeptides. For the first time PHIP-induced NMR signal enhancement demonstrated using model peptides bearing various functional chains.
Heterogenized dirhodium catalysts were prepared by anchoring the rhodium(II) trifluoroacetate dimer (Rh2(TFA)4) (TFA = trifluoroacetate) on surface of SBA-15 material bearing either amine or and carboxyl groups. After basic characterizations, binding geometries analyzed 13C CP MAS 15N DNP NMR. 19F NMR measurements employed to quantify active catalyst sites in heterogenized catalysts, which enables one understand their catalytic performance cyclopropanation model between styrene ethyl...
Catalytically active dirhodium sheet-like coordination polymers are synthesized from their precursors <italic>via</italic> ligand exchange.
Abstract A novel strategy for the immobilization of Wilkinson's catalyst on silica nanoparticles is presented, employing pyridyl linkers as anchoring groups. The coordination binding to linker via ligand exchange trans ‐phosphine group verified by 1 D and 2 solid‐state NMR spectroscopy. Catalytic activities are monitored GC hydrogenation styrene model reaction, leaching properties well robustness investigated. resulting immobilized shows high catalytic activity, which within a factor three...
Abstract Neuartige, bioaktive Derivate des Sunflower Trypsin Inhibitors‐1 (SFTI‐1), die für Hyperpolarisation mittels Parawasserstoff‐induzierter Kernspinpolarisation (PHIP) geeignet sind, wurden entwickelt. Die PHIP‐Aktivität dieser wurde durch den Einbau der Marker L ‐Propargylglycin, O ‐Propargyl‐ ‐tyrosin oder 4‐Pentinsäure erreicht. In wässrigen Lösungen konnten 1 H‐NMR‐Signalverstärkungen um bis zu 70 erzielt werden. Eine isolierte räumliche Lage Dreifachbindung und Zugänglichkeit...
In recent years, the hyperpolarization method Signal Amplification By Reversible Exchange (SABRE) has developed into a powerful technique to enhance Nuclear Magnetic Resonance (NMR) signals of organic substrates in solution (mostly via binding nitrogen lone pair N-heterocyclic compounds) by several orders magnitude. order establish application and development SABRE as for medical imaging, separation Ir-N-Heterocyclic Carbene (Ir-NHC) complex, which facilitates solution, is indispensable....
Parahydrogen‐induced polarization (PHIP) is a promising new tool for medical applications of MR, including MRI. The PHIP technique can be used to transfer high non‐Boltzmann polarization, derived from parahydrogen, isotopes with low natural abundance or gyromagnetic ratio (e.g. 13 C), thus improving the signal‐to‐noise by several orders magnitude. A few molecules acting as metabolic sensors have already been hyperpolarized PHIP, but direct hyperpolarization drugs treat neurological disorders...
Two-dimensional NMR spectroscopy is one of the most important spectroscopic tools for investigation biological macromolecules. Because low sensitivity it usually takes from several minutes to many hours record such a spectrum. In this work, shown that bioactive derivative sunflower trypsin inhibitor-1 (SFTI-1), tetradecapeptide, can be detected by combination parahydrogen-induced polarization (PHIP) and ultrafast 2D-NMR in less than ten seconds. More information found Communication G....
For the first time chemical-exchange saturation transfer (CEST) 1H NMR is utilized for study of short-lived hydride intermediates in catalytic cycle Iridium-based organometallic complex [Ir(IMes)(Py)3(H)2]Cl, which are often not observable by other techniques, since they low concentrated, and undergo reversible ligand exchange with main complex. The intermediate complexes [Ir(Cl)(IMes)(Py)2(H)2] [Ir(CD3OD)(IMes) (Py)2(H)2] detected, assigned characterized situ at room temperature solution....
For the first time chemical-exchange saturation transfer (CEST) 1H NMR is utilized for study of short-lived hydride intermediates in catalytic cycle Iridium-based organometallic complex [Ir(IMes)(Py)3(H)2]Cl, which are often not observable by other techniques, since they low concentrated, and undergo reversible ligand exchange with main complex. The intermediate complexes [Ir(Cl)(IMes)(Py)2(H)2] [Ir(CD3OD)(IMes) (Py)2(H)2] detected, assigned characterized situ at room temperature solution....