IC151 Solid State NMR in Pharmacology

Přírodovědecká fakulta
jaro 2016
Rozsah
1/0/0. 1 kr. (plus ukončení). Ukončení: z.
Vyučující
doc. Elina Sievanen (přednášející), prof. RNDr. Radek Marek, Ph.D. (zástupce)
Garance
prof. RNDr. Radek Marek, Ph.D.
Ústav chemie – Chemická sekce – Přírodovědecká fakulta
Dodavatelské pracoviště: Ústav chemie – Chemická sekce – Přírodovědecká fakulta
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Předmět je otevřen studentům libovolného oboru.
Osnova
  • Nuclear magnetic resonance spectroscopy is a technique, wherein a sample is placed in a homogeneous magnetic field, irradiated, and a magnetic signal detected. In addition to other factors, the relative orientation of the molecule with respect to the axis of the field affects the signal. In a classical liquid-state NMR experiment, Brownian motion leads to an averaging of anisotropic interactions. In media with no or little mobility, however, chemical shift anisotropy (CSA) and internuclear dipolar coupling have a substantial influence on the behavior of a system of nuclear spins leading to a line-broadening effect in NMR spectra.
  • In order to overcome the problem of line-broadening in the solid state, magic angle spinning (MAS) NMR is applied. In MAS NMR, a sample is rotated rapidly around an axis at the magic angle with the static field yielding resulting averaging of all anisotropic interactions described by second-rank tensors, if the rotation frequency exceeds the largest coupling of the spin species considered.
  • Cross-polarization (CP) is used to assist in observing dilute spins, though it can also be used to perform some spectral editing and to obtain information on what spins are close in space. In CP pulse sequence the dilute X nucleus derives its magnetization from a nearby network of abundant spins. The key to obtaining efficient cross-polarization is meeting the Hartmann-Hahn condition. In this case the rf field of the dilute spins is set equal to that of the abundant spins by adjusting the power on each of the channels. If they are set properly, the abundant and dilute spins precess in the rotating frame at the same rate, allowing for the transfer of the abundant spin polarization to the dilute one.
  • The investigation of many physiologically and pharmaceutically active materials in the solid state is important, since their molecular and physicochemical properties in this state are directly related to their activities. Among several techniques available for the purpose, solid state NMR possesses some incomparable properties. For example, amorphous materials and heterogeneous systems can be readily studied, and polymorphs identified by inspection of the spectra. Moreover, solvates can be recognized, whether they are stoichiometric or not.
  • In addition to the basic concepts related to solid state NMR, during this mini-course detailed solid state studies of some pharmacologically interesting steroid derivatives will be described.
Vyučovací jazyk
Angličtina
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Poznámka k četnosti výuky: 28.4. - 29.4. A4/0.57.
  • Statistika zápisu (nejnovější)
  • Permalink: https://is.muni.cz/predmet/sci/jaro2016/IC151