Studies on Molecular Orientation Using a Spectropolarimeter

A microcomputer automated recording spectropolarimeter

MANY analytical laboratories have available minicomputers or microcomputer systems which routinely find use for data analysis. Recent trends have been toward applying computers not only for computational capabilities, but also for on-line control and data .acquisition from actual analytical instru-mentation. Numerous analytical instruments are being designed to incorporate a computer system as ...

A microcomputer automated circular dichroism spectropolarimeter

Molecular orientation studies by pulsed electron-electron double resonance experiments.

Pulsed electron-electron double resonance (PELDOR) has proven to be a valuable tool to measure the distribution of long range distances in noncrystalline macromolecules. These experiments commonly use nitroxide spin labels as paramagnetic markers that are covalently attached to the macromolecule at specific positions. Unless these spin labels are flexible in such a manner that they exhibit an a...

Molecular docking studies on xanthohumol derivatives as novel ‎anticancer agents ‎

A set of Xanthohumol derivatives were selected and molecular docking studies of these ‎compounds on thioredoxin reductase were conducted. Based on new structural patterns using in ‎silico-screening study, new potent lead compounds were designed. The results due to validated ‎docking protocols lead to find that Thr58, Gly57, Gly21, Asp334, Glu163, Ala130, IIe332, ‎Val44 and Gly132 are the main a...

Stabilization of a channeled spectropolarimeter by self-calibration.

A novel method to stabilize a channeled spectropolarimeter is described. The fluctuating retardations of the high-order retarders used in the spectropolarimeter are calibrated in parallel to the measurement of the wavenumber-dependent state of polarization (SOP) of light. Both the calibration of the retarders and the measurement of the SOP can be made simultaneously using a single light to be m...