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Supa Hannongbua. Theoretical Investigation on Carotenoids-Chlorophyll c Light-Harvesting Complexes, based on DFT calculations. (). King Mongkut's University of Technology North Bangkok. Central Library. : , 2023.
Theoretical Investigation on Carotenoids-Chlorophyll c Light-Harvesting Complexes, based on DFT calculations
Name: Prin Tadawattana
Organization :
Kasetsart University. Faculty of Science
Organization :
Kasetsart University. Faculty of Science
Name: Songwut Suramitr
Organization :
Kasetsart University. Faculty of Science
Name: Supa Hannongbua
Organization :
Kasetsart University. Faculty of Science
Email :
fscisph@ku.ac.th
keyword:
Light-harvesting complexes
LCSH:
Carotenoids
LCSH:
Chlorophyll
LCSH:
Theoretical chemistry
Abstract:
Solar harvesting materials in the photosynthesis process have been attractive area of research. As
found in diatoms, Fucoxanthin-Chlorophyll a/c protein (FCP) is the major light-gathering complex in brown
algae diatoms. The mechanism of energy transfer of FCP has been still unclear. In this work, the Carotenoids
derivatives complexed with Chlorophyll c were modelled and calculated for energetic properties based on
time-dependent DFT (TDDFT), using the CAM-B3LYP/6-311G(d.p)//CAM-B3LYP/LANL2DZ method.
The optimized structures of 9 carotenoid derivatives, including antheraxanthin (Ax), zeaxanthin (Zx), trans-
violaxanthin (tVx), cis-violaxanthin (cVx), cyclo-violaxanthin (cycloVx), fucoxanthin (Fx), iso-fucoxanthin
(isoFx), neoxanthin (Nx), and peridinin (Per) were investigated for their HOMO-LUMO energy gaps. The
obtained results indicate that electronic transitions are in the range of 2.40-2.83 eV and Per produces
significant narrow energy gap than others (2.40 eV) due to the lactonic C=O influence. The structure-
electronic properties relationships can be useful for the design of the energy harvesting materials.
King Mongkut's University of Technology North Bangkok. Central Library
Address:
BANGKOK
Email:
library@kmutnb.ac.th
Created:
2023
Modified:
2023-07-10
Issued:
2023-07-10
บทความ/Article
application/pdf
BibliograpyCitation :
In Mae Fah Luang University. School of Science. The Pure and Applied Chemistry International Conference 2023 (PACCON 2023) (pp.977-982). Chiang Rai : Mae Fah Luang University
eng
©copyrights King Mongkut's University of Technology North Bangkok
RightsAccess:
ใช้เวลา
0.033322 วินาที
Prin Tadawattana
| Title | Contributor | Type |
|---|---|---|
| Theoretical Investigation on Carotenoids-Chlorophyll c Light-Harvesting Complexes, based on DFT calculations
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Prin Tadawattana;Patchareenart Saparpakorn;Songwut Suramitr;Supa Hannongbua | บทความ/Article |
Patchareenart Saparpakorn
| Title | Contributor | Type |
|---|---|---|
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| Structure based inhibitor design of 4-aminoquinolone piperidine amides for DprE1 inhibitors as anti-tuberculosis agents
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| Theoretical Investigation on Carotenoids-Chlorophyll c Light-Harvesting Complexes, based on DFT calculations
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Prin Tadawattana;Patchareenart Saparpakorn;Songwut Suramitr;Supa Hannongbua | บทความ/Article |
Songwut Suramitr
| Title | Contributor | Type |
|---|---|---|
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| Theoretical Investigation on Carotenoids-Chlorophyll c Light-Harvesting Complexes, based on DFT calculations
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Supa Hannongbua
| Title | Contributor | Type |
|---|---|---|
| DFT and TD-DFT study on intermolecular charge transfer between 4-(p-tolylethynyl)pyrene and nitroaromatic explosives
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| Rational design of 2-(4-oxoquinazolin-3(4H)-yl)acetamide derivatives as potent InhA inhibitors for anti-tuberculosis agents: Ligand and structure based drug design approaches
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| Structure based inhibitor design of 4-aminoquinolone piperidine amides for DprE1 inhibitors as anti-tuberculosis agents
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| Computer-based inhibitor design for M. tuberculosis PknG: Integrations of MD simulations and 3D-QSAR study
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| Theoretical Investigation on Carotenoids-Chlorophyll c Light-Harvesting Complexes, based on DFT calculations
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