Adsorption orientation of 8‐azaadenine on silver nanoparticles determined by SERS and DFT
Bibliographic record
Abstract
Abstract 8‐Azaadenine (8AA) is structurally similar to both adenine and benzotriazole, and therefore, it is reasonable that it could adsorb onto noble metal nanoparticles (NPs) in an orientation analogous to either one. In this study, Raman and surface‐enhanced Raman spectroscopy (SERS) of 8AA are investigated to determine its adsorption orientation on Ag NPs. In support of the analysis, the Raman spectra of 8AA and various Ag+/8AA complexes were simulated using density functional theory (DFT) at the B3LYP level. For both normal Raman and surface‐enhanced Raman spectroscopy, good agreement is observed between the experimental and simulated spectra. Our findings show that 8AA adsorbs onto Ag NPs via its N3 and N9 atoms side in an adenine‐like manner. This result may be useful for nanoparticle‐mediated drug delivery strategies of 8‐azapurines or similar molecules with biological activities.
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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 | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.002 | 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".