The stability of the pheromones of xylophagous insects to environmental factors: An evaluation by quantum chemical analysis
- 作者: Artyushenko P.V.1, Tomilin F.N.2,3, Kuzubov A.A.2, Ovchinnikov S.G.2,3, Tsikalova P.E.1, Ovchinnikova T.M.4, Soukhovolsky V.G.4
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隶属关系:
- International Research Center for Studies of Extreme States of the Body, Krasnoyarsk Scientific Center, Siberian Branch
- Siberian Federal University, Krasnoyarsk
- Kirensky Institute of Physics, Siberian Branch
- Sukachev Institute of Forest, Siberian Branch
- 期: 卷 62, 编号 4 (2017)
- 页面: 532-538
- 栏目: Molecular Biophysics
- URL: https://journals.rcsi.science/0006-3509/article/view/152333
- DOI: https://doi.org/10.1134/S0006350917040029
- ID: 152333
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详细
The ground and excited states of the pheromone molecules produced by xylophagous insects (the bark beetle Ips typographus L., the black fir sawyer beetle Monochamus urussovi Fisch., and the black pine sawyer M. galloprovincialis Oliv.) were modeled using a quantum chemical method utilizing DFT (density functional theory) with the B3LYP functional. The absorption wavelengths (energies) and dipole moments were calculated; the transitions of electrons from occupied to empty molecular orbitals were considered. The computed data were used to assess the stability of pheromone molecules exposed to environmental factors, such as solar radiation and humidity.
作者简介
P. Artyushenko
International Research Center for Studies of Extreme States of the Body, Krasnoyarsk Scientific Center, Siberian Branch
编辑信件的主要联系方式.
Email: art_polly@mail.ru
俄罗斯联邦, Krasnoyarsk, 660036
F. Tomilin
Siberian Federal University, Krasnoyarsk; Kirensky Institute of Physics, Siberian Branch
Email: art_polly@mail.ru
俄罗斯联邦, Krasnoyarsk, 660041; Krasnoyarsk, 660036
A. Kuzubov
Siberian Federal University, Krasnoyarsk
Email: art_polly@mail.ru
俄罗斯联邦, Krasnoyarsk, 660041
S. Ovchinnikov
Siberian Federal University, Krasnoyarsk; Kirensky Institute of Physics, Siberian Branch
Email: art_polly@mail.ru
俄罗斯联邦, Krasnoyarsk, 660041; Krasnoyarsk, 660036
P. Tsikalova
International Research Center for Studies of Extreme States of the Body, Krasnoyarsk Scientific Center, Siberian Branch
Email: art_polly@mail.ru
俄罗斯联邦, Krasnoyarsk, 660036
T. Ovchinnikova
Sukachev Institute of Forest, Siberian Branch
Email: art_polly@mail.ru
俄罗斯联邦, Krasnoyarsk, 660036
V. Soukhovolsky
Sukachev Institute of Forest, Siberian Branch
Email: art_polly@mail.ru
俄罗斯联邦, Krasnoyarsk, 660036
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