Evidence map›Paper›PMID 36970098›Full record

ArticleChemical science2023

Thermal site energy fluctuations in photosystem I: new insights from MD/QM/MM calculations.

Sebastian Reiter, Ferdinand L Kiss, Jürgen Hauer, Regina de Vivie-Riedle

Open access · diamondAbstract read
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Article in Chemical science, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.

0numbers the graph read from it
0cells of the map it votes in
8citing papers in PubMed
2.8field-weighted citation impact, top 9% of its field
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

8 citing papers in PubMed, 12 citations in OpenAlex.

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4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

4 authors at 2 institutions in 1 country.

Sebastian ReiterDepartment of Chemistry, Ludwig-Maximilians-Universität München Butenandtstr. 11 81377 Munich Germany regina.de_vivie@cup.uni-muenchen.de.ORCID https://orcid.org/0000-0001-7381-4222
Ferdinand L KissDepartment of Chemistry, Ludwig-Maximilians-Universität München Butenandtstr. 11 81377 Munich Germany regina.de_vivie@cup.uni-muenchen.de.ORCID https://orcid.org/0000-0001-5302-4557
Jürgen HauerDepartment of Chemistry, Technical University of Munich Lichtenbergstr. 4, Garching 85747 Germany.ORCID https://orcid.org/0000-0002-6874-6138
Regina de Vivie-RiedleDepartment of Chemistry, Ludwig-Maximilians-Universität München Butenandtstr. 11 81377 Munich Germany regina.de_vivie@cup.uni-muenchen.de.ORCID https://orcid.org/0000-0002-7877-5979
Ludwig-Maximilians-Universität München · DETechnical University of Munich · DE

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Cyanobacterial photosystem I (PSI) is one of the most efficient photosynthetic machineries found in nature. Due to the large scale and complexity of the system, the energy transfer mechanism from the antenna complex to the reaction center is still not fully understood. A central element is the accurate evaluation of the individual chlorophyll excitation energies (site energies). Such an evaluation must include a detailed treatment of site specific environmental influences on structural and electrostatic properties, but also their evolution in the temporal domain, because of the dynamic nature of the energy transfer process. In this work, we calculate the site energies of all 96 chlorophylls in a membrane-embedded model of PSI. The employed hybrid QM/MM approach using the multireference DFT/MRCI method in the QM region allows to obtain accurate site energies under explicit consideration of the natural environment. We identify energy traps and barriers in the antenna complex and discuss their implications for energy transfer to the reaction center. Going beyond previous studies, our model also accounts for the molecular dynamics of the full trimeric PSI complex.

Identifiers

PMID36970098
PMCPMC10034153
OpenAlexW4319317655

What OpenQuestion holds

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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.