Search results

Sort By:

Limit search:

Structural Characterization of Carane Derivative Stereoisomers - Potent Local Anesthetics

100%

Grochowski J., Serda P., Pasenkiewicz-Gierula M., Czarnecki R., Librowski T., Lochyński S., Frąckowiak B.

Acta Physica Polonica A

2002

vol. 101

issue 5

665-674

The paper reports on structural investigation and phase analysis of a newly synthesized potent local anesthetic with chiral molecular structure. Absolute structure and absolute configuration on four chiral centres was determined using microcrystalline single-crystal diffraction with anomalous scattering of X-ray radiation azimuthal scan technique. Phase analysis for new compound (KP23SS) and its epimer (KP23RS) was carried out using classical and synchrotron radiation powder diffraction. Enantiopurity of the bulk material was verified for both isomers by comparison of experimental and simulated high-resolution powder diffraction diagrams. The presence of two new polymorphic phases of KP23RS was documented. Comparative conformational analysis was carried out using differential Fourier synthesis and least-squares molecule overlap technique. A model of epimeric disorder was discussed for the homochiral phase.

Biophysical studies of membranes and proteins using the molecular dynamics simulation method

100%

Pasenkiewicz-Gierula M., Jezierski G., Murzyn K., Rog T., Czaplewski C., Ciarkowski J.

Biotechnologia

2000

issue 2

83-97

The main structural element of biological membranes is a liquid-crystalline lipid bilayer. Other constituents i.e. proteins, sterols and carbohydrates, either intercalate into or loosely attach to the bilayer. Many properties common to the membranes can be explored by studying lipid bilayers. In this paper, the molecular dynamics simulation method was applied to study membranes at various levels of compositional complexity. Whenever it was possible, results of the simulations were compared with published experimental data. The reactive site loop of a1-antitrypsin is held in a tightly constrained conformation by a salt bridge between Glu342 and Lys290. Guanidinium ions induce a1-antitrypsin polymerisation by disrupting this salt bridge. The mechanism of this process, proposed on the basis of experimental studies, was confirmed and further explained by molecular modelling methods.

Refine search results

1 Acta Physica Polonica A

1 Biotechnologia

1 2002

1 2000

2 Pasenkiewicz-Gierula M.

1 Ciarkowski J.

1 Czaplewski C.

1 Czarnecki R.

1 Frąckowiak B.

1 Grochowski J.

1 Jezierski G.

1 Librowski T.

1 Lochyński S.

1 Murzyn K.

1 Rog T.

1 Serda P.

Search results

Structural Characterization of Carane Derivative Stereoisomers - Potent Local Anesthetics

Biophysical studies of membranes and proteins using the molecular dynamics simulation method