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dc.contributor.author
Nixon, Kevin Clark
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dc.contributor.author
Pigni, Natalia Belen
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dc.contributor.author
Wijesiri, Kithmini
dc.contributor.author
Gascón, José A.
dc.date.available
2023-01-12T20:54:25Z
dc.date.issued
2021-04-22
dc.identifier.citation
Nixon, Kevin Clark; Pigni, Natalia Belen; Wijesiri, Kithmini; Gascón, José A.; Spectral features of canthaxanthin in hcp2. A qm/mm approach; Molecular Diversity Preservation International; Molecules; 26; 9; 22-4-2021; 1-10
dc.identifier.uri
http://hdl.handle.net/11336/184611
dc.description.abstract
The increased interest in sequencing cyanobacterial genomes has allowed the identifi-cation of new homologs to both the N-terminal domain (NTD) and C-terminal domain (CTD) of the Orange Carotenoid Protein (OCP). The N-terminal domain homologs are known as Helical Carotenoid Proteins (HCPs). Although some of these paralogs have been reported to act as singlet oxygen quenchers, their distinct functional roles remain unclear. One of these paralogs (HCP2) exclusively binds canthaxanthin (CAN) and its crystal structure has been recently characterized. Its absorption spectrum is significantly red-shifted, in comparison to the protein in solution, due to a dimerization where the two carotenoids are closely placed, favoring an electronic coupling interaction. Both the crystal and solution spectra are red-shifted by more than 50 nm when compared to canthaxanthin in solution. Using molecular dynamics (MD) and quantum mechanical/molecular mechanical (QM/MM) studies of HCP2, we aim to simulate these shifts as well as obtain insight into the environmental and coupling effects of carotenoid–protein interactions.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Molecular Diversity Preservation International
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dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
CANTHAXANTHIN
dc.subject
HCP2
dc.subject
QM/MM
dc.subject.classification
Otras Ciencias Químicas
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dc.subject.classification
Ciencias Químicas
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dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
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dc.title
Spectral features of canthaxanthin in hcp2. A qm/mm approach
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2022-09-21T15:29:58Z
dc.identifier.eissn
1420-3049
dc.journal.volume
26
dc.journal.number
9
dc.journal.pagination
1-10
dc.journal.pais
Suiza
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dc.journal.ciudad
Basel
dc.description.fil
Fil: Nixon, Kevin Clark. University of Connecticut; Estados Unidos
dc.description.fil
Fil: Pigni, Natalia Belen. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Ciencia y Tecnología de Alimentos Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Ciencia y Tecnología de Alimentos Córdoba; Argentina. University of Connecticut; Estados Unidos
dc.description.fil
Fil: Wijesiri, Kithmini. University of Connecticut; Estados Unidos
dc.description.fil
Fil: Gascón, José A.. University of Connecticut; Estados Unidos
dc.journal.title
Molecules
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dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://www.mdpi.com/1420-3049/26/9/2441
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.3390/molecules26092441
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