NMR properties of Fenna-Matthews-Olson light harvesting complex: Photosynthesis and its biomedical applications
Bibliographic record
Abstract
In this article we study the structural properties of the bacteriochlorophyll taken from the Fenna-Matthews-Olson (FMO) light harvesting complex found in the green sulphur bacteria. This study is motivated by a range of applications of photosynthetic complexes, including their increasing role in biomedicine, where our better understanding of their properties become critical. Specifically, in our current study we present the nulcear magnetic resonance (NMR) spectrum of the bacteriochlorophyll that is directly taken from the FMO complex, as well as the spectrum for this system for its optimized geometry. We use density functional theory to calculate the optimized geometry and the NMR spectra of the bacteriochlorophyll. From our calculations we found that the chemical shift values are slightly lower for the optimized geometry of the bacteriochlorophyll than the values obtained for the unoptimized bacteriochlorophyll. The differences observed between these two spectra are due to the fact that the unoptimized structure of the bacteriochlorophyll possess the influence of the protein environment of FMO complex.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".