The Application of REDOR NMR to Understand the Conformation of Epothilone B.

The structural information of small therapeutic compounds complexed in biological matrices is important for drug developments. However, structural studies on ligands bound to such a large and dynamic system as microtubules are still challenging. This article reports an application of the solid-state NMR technique to investigating the bioactive conformation of epothilone B, a microtubule stabilizing agent, whose analog ixabepilone was approved by the U.

Solid-state 31P NMR investigation on the status of guanine nucleotides in paclitaxel-stabilized microtubules.

Microtubule dynamics is a target for many chemotherapeutic drugs. In order to understand the biochemical effects of paclitaxel on the GTPase activity of tubulin, the status of guanine nucleotides in microtubules was investigated by (31)P cross-polarization magic angle spinning (CPMAS) NMR. Microtubules were freshly prepared in vitro in the presence of paclitaxel and then lyophilized in sucrose buffer for solid-state NMR experiments.

Nuclear magnetic resonance study of superprotonic conductor Rb4LiH3(SO4)4 single crystals.

To investigate the molecular dynamics of a Rb4LiH3(SO4)4 crystal below superionic phase transitions, we examined the temperature dependences of the NMR spectra and the spin-lattice relaxation time, T1, of the (1)H, (7)Li, and (87)Rb nuclei. The symmetry of (1)H signals resembles the Pake doublet containing a pair of dipolar-coupled protons. From the temperature dependence of T1, the activation energy of proton at high temperature is twice of those of (7)Li and (87)Rb.

The effects of Mo doping on 0.3Li[Li0.33Mn0.67]O2·0.7Li[Ni0.5Co0.2Mn0.3]O2 cathode material.

Mo doped Li excess transition metal oxides formulated as 0.3Li[Li(0.33)Mn(0.

Rotational-echo double-resonance NMR distance measurements for the tubulin-bound Paclitaxel conformation.

The important anticancer drug Taxol (paclitaxel, PTX) owes its unique activity to its ability to bind to tubulin in a stoichiometric ratio and promote its assembly into microtubules. The conformation of the microtubule-bound drug has been the focus of numerous research efforts, since the inability of polymerized tubulin to form crystals precludes structure proof by X-ray crystallography. Likewise, although the alpha,beta-tubulin dimer structure has been solved by electron crystallography, the 3.

Investigating sorption on iron-oxyhydroxide soil minerals by solid-state NMR spectroscopy: a 6Li MAS NMR study of adsorption and absorption on goethite.

High-resolution 2H MAS NMR spectra can be obtained for nanocrystalline particles of goethite (alpha-FeOOH, particle size approximately 4-10 nm) at room temperature, facilitating NMR studies of sorption under environmentally relevant conditions. Li sorption was investigated as a function of pH, the system representing an ideal model system for NMR studies. 6Li resonances with large hyperfine shifts (approximately 145 ppm) were observed above the goethite point of zero charge, providing clear evidence for the presence of Li-O-Fe connectivities, and thus the formation of an inner sphere Li+ complex on the goethite surface.