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+, Mg2+, Fe2+, Cu2+, Zn2+, and Cd2+ 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 Cu2+ (–436 mV) > Fe2+ (–284 mV) > Zn2+ (–270 mV) > Cd2+ (–238 mV) > Mg2+ (–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 Mg2+, Zn2+, and Cd2+, M‐helicity is adopted for Fe2+ and Cu2+.
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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".