A theoretical survey of the ability of nanocarbon layers to deliver anti-cancer drug temozolomide to the target cancer cells
Bibliographic record
Abstract
Density functional theory with the basis set of 6-31+G(d) was used to investigate on the carbon nano layers, C(sp2), potential as a drug delivery system for transferring of anti-cancer drug temozolomide to the target tissue. In order to elucidate the possibility of drug transmission by utilizing a carrier, the mechanisms of direct drug degradation, and loaded drug on the carrier are analyzed and examined completely. Two possible and different pathways for direct drug hydrolysis have been considered. According to obtained results activation barriers of these two pathways are 62.17 and 72.10 kcal mol -1 , and 64.30 and 70.10 kcal mol -1 for two gas mode and also two aqueous solvent conditions respectively. By comparison of outcomes, it can be found out that these activation barriers for both degradation pathways are significantly greater than the activation barriers for drug separation from the surface of carbon carrier (18.59 and 51.92 kcal mol -1 for gas mode and 11.79 and 44.67 kcal mol -1 for aqueous solvent). Therefore, by studying the achieved outcomes, it can be deduced that separation and releasing of the drug from the carrier occurs faster kinetically than direct degradation of temozolomide, so the drug can reach to the target before direct decomposition.
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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 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 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".