Photo-physics study of an hydroxy-quinoline derivative as inhibitor of Pim-1 kinase: Ultraviolet-visible linear dichroism spectroscopy and quantum chemical calculations

T. Lamhasni, S. Aitlyazidi, M. Hnach, M. Haddad, D. Desmaële, Jens Spanget-Larsen, Duy Duc Nguyen, L. Ducasse

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

The photophysical properties of the antiviral 7-nicotinoyl-styrylquinoline (MB96) were investigated by means of UV-Vis linear dichroism (LD) spectroscopy on molecular samples aligned in stretched polyvinylalcohol (PVA), supported by Time Dependent Density Functional Theory (TD-DFT) calculations. Experimentally, the directions of the transitions moments with respect to the long axis of the molecule were deduced from the orientation K factors, determined by means of “trial-and-error” procedure. The absorption spectrum presents two parts. The main transition in the lowest energy part, observed around 365 nm and showing the highest K value 0.8, is longitudinally in-plane polarized. The highest energy part which is extended between 230 and 320 nm, large, diffuse, and of weak intensity, shows estimated K values between 0.2 and 0.5. This complex structure is transversally polarized with some contamination by the longitudinal character of the first strong band. The TD-DFT results agree fairly well with the LD measurements.
Original languageEnglish
JournalSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Volume113
Pages (from-to)452-458
Number of pages7
ISSN1386-1425
DOIs
Publication statusPublished - 2013

Keywords

  • Styrylquinoline
  • UV-Vis LD
  • Stretched PVA
  • Orientation factors
  • TD-DFT calculations
  • transition moments

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