A MoB MBene-enhanced molecularly imprinted electrochemical platform for selective cabozantinib detection: from molecular design to green metrics computing
Electrochimica Acta, cilt.580, 2026 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 580
- Basım Tarihi: 2026
- Doi Numarası: 10.1016/j.electacta.2026.150028
- Dergi Adı: Electrochimica Acta
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Chemical Abstracts Core, Chimica, Compendex, INSPEC, Academic Search Ultimate (EBSCO), Engineering Source (EBSCO)
- Anahtar Kelimeler: Cabozantinib, Density functional theory (DFT), Electrochemical analysis, MoB MBene, Molecularly imprinted polymer
- Ankara Üniversitesi Adresli: Evet
Özet
A molecularly imprinted electrochemical sensor was developed for the selective determination of cabozantinib (CAB), a multi-target tyrosine kinase inhibitor for which dose control and therapeutic monitoring are clinically important. Two-dimensional MoB MBene, an emerging transition-metal boride, served as the conductive support, while methacrylic acid (MAA) provided the functional groups defining the imprinted cavities. The recognition layer was formed by a thermally assisted sol–gel polycondensation, so that no radical initiator was required. The design was guided by density functional theory at the PBE/DNP level, which showed that CAB and MAA form a thermodynamically stable pre-polymerization complex (−28.11 kcal/mol) anchored by a 2.44 Å hydrogen bond and reinforced by charge transfer from the template to the monomer, whereas the structural analogues pazopanib and lenvatinib bind far weaklier (> −6.01 kcal/mol) owing to steric mismatch. The resulting CAB/MAA/MoB@MIP/GCE sensor responded linearly from 7.5 to 75 pM, with a limit of detection of 1.07 pM and a limit of quantification of 3.56 pM. Recoveries in spiked human serum and in a pharmaceutical dosage form were 98.91 % and 99.08 %, respectively, with relative standard deviations below 2.0 %, and the response was unaffected by structurally related tyrosine kinase inhibitors or by common biological interferents. The greenness of the method was quantified as 0.64 by AGREE and 0.78 by AGREEMIP. By combining MBene-enhanced signal transduction with computationally guided molecular imprinting, the platform enables trace-level determination of CAB in complex matrices.