Over 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 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).
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1021/acs.jpcb.4c08094 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
A review in analytical progress for house dust mite allergens.
Rev Environ Health
March 2025
Key Laboratory of Environment Remediation and Ecological Health, Ministry of Education, College of Natural Resources and Environmental Science, Zhejiang University, Hangzhou, China.
House dust mite (HDM) allergens are one of the most important causes of allergenic diseases in the indoor environment. The World Health Organization (WHO) has defined risk thresholds for Group I HDM allergens as a concentration of 2 and 10 μg/mL in dust for producing asthma risk and polar asthma attacks, respectively. Continuing exposure to high concentrations of HDM allergens greatly increases the risk of developing allergic diseases.
View Article and Find Full Text PDFThe IL-6 axis in vascular inflammation: effects of IL-6 receptor blockade on vascular lesions from patients with giant-cell arteritis.
Ann Rheum Dis
March 2025
Vasculitis Research Unit, Department of Autoimmune Diseases, Hospital Clínic (member of European Reference Network [ERN]-for rare diseases RITA), University of Barcelona, Centre de Recerca biomèdica (CRB)-CELLEX, Institut d'Investigacions Biomèdiques August Pi i Sunyer (IDIBAPS), Barcelona, Spain. Electronic address:
Objectives: Blocking interleukin (IL)-6-receptor with tocilizumab has been a major advance in the treatment of giant-cell arteritis (GCA), supporting a crucial role of IL-6 receptor signalling. However, nearly half of the patients are not able to maintain glucocorticoid- free remission with tocilizumab. The impact of tocilizumab on vascular lesions of GCA is largely unknown since conflicting results have been obtained by imaging.
View Article and Find Full Text PDFUnderstanding Electron Beam-Induced Chemical Polymerization Processes of Small Organic Molecules Using Operando Liquid-Phase Transmission Electron Microscopy.
ACS Nano
March 2025
Center for Nanomedicine, Institute for Basic Science (IBS), Seoul 03722, Korea.
Electron beams evolved as important tools for modern technologies that construct and analyze nanoscale architectures. While electron-matter interactions at atomic and macro scales are well-studied, a knowledge gap persists at the molecular to nano level─the scale most relevant to the latest technologies. Here, we employ liquid-phase transmission electron microscopy supported by density functional theory calculations and a mathematical random search algorithm to rationalize and quantify electron beam-induced processes at the molecular level.
View Article and Find Full Text PDFModulating the Hydrogen Bond for a Stable Zinc Anode with a Wide Temperature Range via the Sucrose and Polyacrylamide Synergistic Effect.
ACS Nano
March 2025
School of Environmental and Materials Engineering, Yantai University, Yantai 264005, China.
Zinc-ion batteries become a major research focus in energy storage, valued for their low cost and high safety. However, their widespread application is hindered by poor zinc anode stability caused by dendrites, side reactions, and poor performance across a wide temperature range at a strong hydrogen bond network aqueous electrolyte. In this study, we propose a strategy for the synergistic combination of a polyacrylamide hydrogel with sucrose.
View Article and Find Full Text PDFMass spectrometric monitoring of redox transformation and arylation of tryptophan.
Anal Chim Acta
May 2025
State Key Laboratory of Featured Metal Materials and Life-cycle Safety for Composite Structures, Guangxi University, Nanning, Guangxi, 530004, PR China; College of Life Science and Technology, Guangxi University, Nanning, Guangxi, 530004, PR China; Medical College of Guangxi University, Guangxi University, Nanning, Guangxi, 530004, PR China; Center for Instrumental Analysis, Guangxi University, Nanning, Guangxi, 530004, PR China. Electronic address:
Tryptophan (Trp) is an essential amino acid obtained from human diet. It is involved not only in de novo biosynthesis of proteins but also in complex metabolic pathways. Redox transformation of tryptophan is under-explored in comparison with kynurenine, serotonin and indole pyruvate pathways.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!