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

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer review

Resumé

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.
OriginalsprogEngelsk
TidsskriftSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Vol/bind113
Sider (fra-til)452-458
Antal sider7
ISSN1386-1425
DOI
StatusUdgivet - 2013

Citer dette

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title = "Photo-physics study of an hydroxy-quinoline derivative as inhibitor of Pim-1 kinase: Ultraviolet-visible linear dichroism spectroscopy and quantum chemical calculations",
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.",
keywords = "Styrylquinoline, UV-Vis LD, Stretched PVA, Orientation factors, TD-DFT calculations, transition moments",
author = "T. Lamhasni and S. Aitlyazidi and M. Hnach and M. Haddad and D. Desma{\"e}le and Jens Spanget-Larsen and Nguyen, {Duy Duc} and L. Ducasse",
year = "2013",
doi = "10.1016/j.saa.2013.04.125",
language = "English",
volume = "113",
pages = "452--458",
journal = "Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy",
issn = "1386-1425",
publisher = "Elsevier BV",

}

Photo-physics study of an hydroxy-quinoline derivative as inhibitor of Pim-1 kinase : Ultraviolet-visible linear dichroism spectroscopy and quantum chemical calculations. / Lamhasni, T.; Aitlyazidi, S.; Hnach, M.; Haddad, M.; Desmaële, D.; Spanget-Larsen, Jens; Nguyen, Duy Duc; Ducasse, L.

I: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Bind 113, 2013, s. 452-458.

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer review

TY - JOUR

T1 - Photo-physics study of an hydroxy-quinoline derivative as inhibitor of Pim-1 kinase

T2 - Ultraviolet-visible linear dichroism spectroscopy and quantum chemical calculations

AU - Lamhasni, T.

AU - Aitlyazidi, S.

AU - Hnach, M.

AU - Haddad, M.

AU - Desmaële, D.

AU - Spanget-Larsen, Jens

AU - Nguyen, Duy Duc

AU - Ducasse, L.

PY - 2013

Y1 - 2013

N2 - 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.

AB - 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.

KW - Styrylquinoline

KW - UV-Vis LD

KW - Stretched PVA

KW - Orientation factors

KW - TD-DFT calculations

KW - transition moments

U2 - 10.1016/j.saa.2013.04.125

DO - 10.1016/j.saa.2013.04.125

M3 - Journal article

VL - 113

SP - 452

EP - 458

JO - Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

JF - Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

SN - 1386-1425

ER -