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Characterization of carbamazepine-baicalein cocrystal using terahertz time-domain spectroscopy: Implications for solubility and hepatotoxicity

delete2026-06-19
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PRE
AI
Z
Zhipeng Wang
L
Leyu Gao
Q
Qifubo Geng
Z
Zhuang Peng
Y
Yang Gao
X
Xinrui Zhang
H
Huiyu Yang
S
Shengbo Zhang
B
Bo Su *
H
Hailin Cui
C
Cunlin Zhang
DOI：10.1016/j.optmat.2026.118268delete
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Abstract

Abstract

En 中文
• 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.

Journal

Optical Materials cover
Optical Materials
IF:
4.2
Papers:
1.7W
Citations:
3.4W

Organization

M
Ministry of Education
Scholars:
2.4K
Papers: 707
Citations: 42
M
Minzu University of China
Scholars:
3.1K
Papers: 1.8K
Citations: 6.7K
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