Lei Wang, Wenxia Wang, Dongjie Wang, Jinwu Zhao, Liu Sun, Shuocheng She, Pandeng Hou, Yizhu Zhang, Qiuhong Qu, Mingxia He
{"title":"Donepezil hydrochloride fingerprint spectral and formation mechanism analysis.","authors":"Lei Wang, Wenxia Wang, Dongjie Wang, Jinwu Zhao, Liu Sun, Shuocheng She, Pandeng Hou, Yizhu Zhang, Qiuhong Qu, Mingxia He","doi":"10.1063/5.0225011","DOIUrl":null,"url":null,"abstract":"<p><p>Donepezil hydrochloride is a widely used medication for treating Alzheimer's disease. This study utilized terahertz time-domain spectroscopy to analyze the fingerprint spectra of donepezil hydrochloride, identifying five characteristic absorption peaks at 1.65, 2.44, 2.56, 3.31, and 3.75 THz. The vibrational spectrum of the donepezil hydrochloride crystal was further examined using solid-state density functional theory. Based on simulation calculations, the characteristic peaks were identified and analyzed in detail, focusing on long-range ordering and weak interaction networks. The results demonstrate that terahertz spectroscopy is an effective tool for studying intermolecular interactions in drug crystals.</p>","PeriodicalId":21111,"journal":{"name":"Review of Scientific Instruments","volume":"95 11","pages":""},"PeriodicalIF":1.3000,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Review of Scientific Instruments","FirstCategoryId":"5","ListUrlMain":"https://doi.org/10.1063/5.0225011","RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"INSTRUMENTS & INSTRUMENTATION","Score":null,"Total":0}
引用次数: 0
Abstract
Donepezil hydrochloride is a widely used medication for treating Alzheimer's disease. This study utilized terahertz time-domain spectroscopy to analyze the fingerprint spectra of donepezil hydrochloride, identifying five characteristic absorption peaks at 1.65, 2.44, 2.56, 3.31, and 3.75 THz. The vibrational spectrum of the donepezil hydrochloride crystal was further examined using solid-state density functional theory. Based on simulation calculations, the characteristic peaks were identified and analyzed in detail, focusing on long-range ordering and weak interaction networks. The results demonstrate that terahertz spectroscopy is an effective tool for studying intermolecular interactions in drug crystals.
期刊介绍:
Review of Scientific Instruments, is committed to the publication of advances in scientific instruments, apparatuses, and techniques. RSI seeks to meet the needs of engineers and scientists in physics, chemistry, and the life sciences.