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Characterization of carbamazepine-baicalein cocrystal using terahertz time-domain spectroscopy: Implications for solubility and hepatotoxicity
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DOI：10.1016/j.optmat.2026.118268.png)
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Abstract
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• This study successfully synthesized a 1:1 carbamazepine-baicalein cocrystal. THz-TDS detected a new characteristic peak at 1.90 THz, assigned by DFT to hydrogen bonding between –CONH2 (CBZ) and CO (BAI), confirming cocrystal formation. PXRD (new peaks at 8.97° and 12.31°) and DSC (new endotherms at 92 °C, 177 °C, 328 °C) further validated the cocrystal. The cocrystal improved CBZ solubility by 18% (150.0. → 177.1 μg/mL in pH 6.8 medium) and reduced hepatotoxicity, increasing cell viability from 59.6% (CBZ alone) to 76.1% at 12 h in NCTC 1469 mouse hepatocytes.
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