Spectroscopic and Electrochemical Investigations into the Interactions of Metal Ions with a Ferrocenoyl–Histidine Peptide Conjugate
Bibliographic record
Abstract
Abstract A new ferrocene–peptide conjugate Fc‐[His(DNP)‐Gly‐OMe] 2 ( 2 ) was synthesized and characterized spectroscopically. The conjugate displays the familiar 1,2′‐ P helical Herrick conformation in solution and exhibits a reversible one‐electron oxidation at 380 mV versus Fc/Fc + . The interactions of the metal ions Na + , Mg 2+ , Fe 2+ , Cu 2+ , Zn 2+ , and Cd 2+ with conjugate 2 were probed by using a range of techniques, including cyclic voltammetry, and NMR and CD spectroscopies. Electrochemical studies showed that the system exhibits a rare cathodic potential shift upon the addition of metal ions, which followed the order Cu 2+ (–436 mV) > Fe 2+ (–284 mV) > Zn 2+ (–270 mV) > Cd 2+ (–238 mV) > Mg 2+ (–180 mV) > Na + (–75 mV). The formation of a 1:1 metal complex was postulated on the basis of CV and NMR spectroscopic titration experiments. The complexes themselves were characterized by electrospray mass spectrometry. NMR spectroscopic studies show that the His imidazole is the site of metal coordination. As is confirmed by CD spectroscopy, metal coordination itself results in conformational changes of the ferrocene core that are dependent on the particular metal ion and its coordination preferences. Whereas P ‐helicity of the conjugate is maintained during the interactions with Mg 2+ , Zn 2+ , and Cd 2+ , M ‐helicity is adopted for Fe 2+ and Cu 2+ .
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| 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 | 0.001 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| 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 teacher head, 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".