DOI > 10.5291/ILL-DATA.7-04-117

This proposal is publicly available since 11/27/2017

Title

QENS study of methyl group dynamics in temazepam and inclusion complex of beta-cyclodextrin with temazepam

Abstract

The aim of this project is to investigate in a wide temperature range the dynamics of the methyl group of temazepam (a pharmacological drug) in its inclusion complex with beta-cyclodextrin (beta-CD), as well as in pure temazepam. In the later our 1H NMR experiments reveal the existence of three dynamically inequivalent methyl groups. One could expect that the inequivalence will disappear when temazepam is located in beta-CD cavity, but 1H NMR experiments indicate that the situation is not that simple. A QENS experiment will help in understanding better the ambiguous NMR data. Comparing the methyl groups dynamics in temazepam and in its inclusion complex with beta-CD we will establish the importance of “host-guest” interactions in this complex.

Experimental Report

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Data Citation

The recommended format for citing this dataset in a research publication is in the following format:

PAJZDERSKA Aleksandra; GONZALEZ Miguel Angel and WASICKI Jan. (2012). QENS study of methyl group dynamics in temazepam and inclusion complex of beta-cyclodextrin with temazepam. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.7-04-117

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Metadata

Experiment Parameters

  • Environment temperature

    50 K - 400 K
  • Experiment energy

    -10 to +4 meV
  • Experiment moment

    0.5 - 2.5 A^-1
  • Experiment res energy

    0.1 meV
  • Experiment res moment

    0.1 A^-1

Sample Parameters

  • Formula

    • beta-cyclodextrin/(C7H10O5)x7
    • temazepam + beta-cyklodextrin - complex
    • temazepam/C16H13ClN2O2
  • Consistence

    powder
  • Mass

    2000
  • Space

    P21/c
  • Unit cell A

    19.528
  • Unit cell B

    11.328
  • Unit cell C

    20.231