Charge-Transfer Processes within the Isolated Tetramer Models of the Reaction Center Rhodobacter sphaeroides

Basit Öğe Kaydı
dc.authoridAksu, Hüseyin / 0000-0001-9463-3236
dc.authoridGeçit, Fehime Hayal / 0000-0002-4580-9423
dc.contributor.authorGeçit, Fehime Hayal
dc.contributor.authorAksu, Hüseyin
dc.date.accessioned2025-05-29T02:57:51Z
dc.date.available2025-05-29T02:57:51Z
dc.date.issued2025
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractOver the last two decades, advancements in structural resolution and spectral characterization have significantly enhanced our understanding of photosynthesis. However, the complexity of photosystem (PS) supercomplexes still presents challenges. In the Rhodobacter sphaeroides reaction center (RSRC), the charge separation process begins with a charge-transfer (CT) step at the special pair (P), a dimer of bacteriochlorophyll a (BChl), which acts as the donor, and continues with electron transport through the active pigments. Our computational study explores CT rectification in RSRC. We find that the CT rate is faster in the A branch compared with the B branch, which can be attributed to the orientation of the pigments near P and the influence of the surrounding protein complex on the dielectric constant. The calculated rate constants are derived using Fermi's golden rule, with a first-principles approach that employs an optimally tuned screened range-separated hybrid functional within a polarizable continuum model (SRSH-PCM).
dc.description.sponsorshipTürkiye Bilimsel ve Teknolojik Arastirma Kurumu [123Z591, TUBITAK 1001]; Scientific and Technological Research Council of Turkiye (TUBITAK); TUBITAK
dc.description.sponsorshipThis study was supported by the Scientific and Technological Research Council of Turkiye (TUBITAK) under Grant Number 123Z591 (TUBITAK 1001). HA and FHG thank TUBITAK for their support. We are thankful to Canakkale Onsekiz Mart University Faculty of Sciences for computing facilities and making the resources available to complete the reported research.
dc.identifier.doi10.1021/acs.jpcb.4c08094
dc.identifier.endpage2924
dc.identifier.issn1520-6106
dc.identifier.issn1520-5207
dc.identifier.issue11
dc.identifier.pmid40062696
dc.identifier.scopus2-s2.0-105001077116
dc.identifier.scopusqualityQ2
dc.identifier.startpage2915
dc.identifier.urihttps://doi.org/10.1021/acs.jpcb.4c08094
dc.identifier.urihttps://hdl.handle.net/20.500.12428/30194
dc.identifier.volume129
dc.identifier.wosWOS:001441247600001
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.language.isoen
dc.publisherAmer Chemical Soc
dc.relation.ispartofJournal of Physical Chemistry B
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250529
dc.subjectPhotosynthetic Reaction Centers
dc.subjectDensity-Functional Theory
dc.subjectElectron-Transfer
dc.subjectSpecial Pair
dc.subjectTransfer States
dc.subjectRhodopseudomonas-Viridis
dc.subjectSpectroscopic Properties
dc.subjectCoherent Nuclear
dc.subjectEnergy-Transfer
dc.subjectAb-Initio
dc.titleCharge-Transfer Processes within the Isolated Tetramer Models of the Reaction Center Rhodobacter sphaeroides
dc.typeArticle

Dosyalar

Orijinal paket
Listeleniyor 1 - 1 / 1
[ X ]
İsim:
Huseyin Aksu_Makale.pdf
Boyut:
5.3 MB
Biçim:
Adobe Portable Document Format
İndir

Koleksiyon

WoS İndeksli Yayınlar Koleksiyonu
Fizik Bölümü Koleksiyonu
PubMed İndeksli Yayınlar Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu