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Synthesis, characterization, anticancer, antibacterial and antioxidant activities of novel thymol ester compound

2025· article· en· W4407624286 on OpenAlexafffund
Inas Bsharat, Lubna Abdalla, Ashraf Sawafta, Ibrahim M. Abu‐Reidah, Mohammed Al-Nuri

Bibliographic record

VenueJournal of Molecular Structure · 2025
Typearticle
Languageen
FieldChemistry
TopicSynthesis and biological activity
Canadian institutionsMemorial University of Newfoundland
FundersMemorial University of Newfoundland
KeywordsChemistryThymolAntibacterial activityAntioxidantOrganic chemistryCombinatorial chemistryFood scienceBacteriaEssential oil

Abstract

fetched live from OpenAlex

• A novel thymol ester (E2) was synthesized by condensing thymol with indole-3-carboxylic acid in DCM at room temperature. • E2 exhibited enhanced antibacterial activity against S. aureus and S. epidermidis and varying effectiveness against cancer cells. • E2 demonstrated stronger antioxidant scavenging capacity than thymol, especially at lower concentrations. • E2 better preserved normal muscle cells compared to thymol, suggesting safer therapeutic potential. Thymol and its derivatives have been proven in earlier studies to exhibit a broad range of biological activities, particularly given that many of them have therapeutic uses. This study focused on preparing a new ester of thymol, and the new compound was studied as antibacterial, anticancer and as antioxidant agent. Thymol was condensed with indole-3-carboxylic acid in DCM solvent at room temperature (25 °C) without catalyst to form the new thymol ester compound E2 (Fig. 1), and then the new compound was identified through FT-IR and NMR analysis, and the biological properties were tested and studied. The results showed that the novel E2 ester molecule was variably effective against all tested cancer and bacterial cells in different amounts. According to this study, thymol ester E2 preserved normal muscle cells more effectively than thymol. In contrast to thymol, the E2 derivative had superior efficacy against the Gram-positive bacteria under investigation ( S. aureus and S. epidermis ) in the antibacterial trial. Additionally, its inhibition zone was larger than Gentamicin against S. epidermis . Additionally, the E2 ester molecule exceeded thymol in an antioxidant assay for scavenging capacity at low concentrations.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame distilled prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.054
Threshold uncertainty score0.448

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

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.

Opus teacher head0.007
GPT teacher head0.229
Teacher spread0.222 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

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".

Quick stats

Citations2
Published2025
Admission routes2
Has abstractyes

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