First electrochemical ınvestigation and electroanalytical assay of rimegepant: performance comparison of GCE vs. BDD electrodes supported by quantum chemical screening
Journal of Solid State Electrochemistry, 2026 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Basım Tarihi: 2026
- Doi Numarası: 10.1007/s10008-026-06618-9
- Dergi Adı: Journal of Solid State Electrochemistry
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Aerospace Database, Chemical Abstracts Core, Compendex, INSPEC, Academic Search Ultimate (EBSCO), Engineering Source (EBSCO), Materials Science & Engineering Collection (ProQuest), Technology Collection (ProQuest)
- Anahtar Kelimeler: Boron-doped diamond electrode, Density functional theory, Electrochemistry, Electrooxidation, Glassy carbon electrode, Rimegepant
- Ankara Üniversitesi Adresli: Evet
Özet
This study represents the first detailed electrochemical investigation of the antimigraine drug rimegepant (RIME), providing an integrated assessment of its voltammetric behavior, oxidation mechanism, and a rapid, user-friendly analytical approach. Cyclic voltammetry (CV) and differential pulse voltammetry (DPV) performed at glassy carbon (GCE) and boron-doped diamond electrodes (BDDE) revealed that RIME undergoes irreversible, diffusion-controlled electrooxidation, optimally resolved in pH 2.0 phosphate buffer. Voltammetric and electron-transfer characteristics indicate a multi-electron oxidation process consistent with pyridine site electrooxidation, advancing mechanistic understanding of RIME at solid electrochemical interfaces. Quantitative analysis showed linear responses over 0.6–200 µM in standard solution and 1–20 µM in synthetic human serum, with limits of detection of 0.071 µM and 0.030 µM for GCE and BDDE, respectively. Recovery studies in serum matrices fell within acceptable ranges, confirming analytical accuracy, while co-existing electroactive species showed no critical interference under optimized conditions. Collectively, the findings establish an efficient electroanalytical platform for RIME determination and provide new insight into its electrooxidation pathway, supporting broader applications of electrochemistry in therapeutic drug monitoring and pharmaceutical analysis. A distinct novelty of this work lies in the synergistic integration of experimental voltammetry with advanced density functional theory (DFT) simulations. The experimentally observed irreversibility was elucidated at the atomic level; computational analysis confirmed that oxidation is driven by the formation of a nitrogen-centered radical on the imidazopyridine ring, followed by spontaneous bond elongation.