High-pressure Polymorphism in Lamivudine

IF 4.7 2区 化学 Q2 CHEMISTRY, PHYSICAL
Chaosheng Yuan , Jian Wang , Ying Xu , Yongfu Liang , Shiquan Feng , Xiang Zhu , Haining Li
{"title":"High-pressure Polymorphism in Lamivudine","authors":"Chaosheng Yuan ,&nbsp;Jian Wang ,&nbsp;Ying Xu ,&nbsp;Yongfu Liang ,&nbsp;Shiquan Feng ,&nbsp;Xiang Zhu ,&nbsp;Haining Li","doi":"10.1016/j.molstruc.2023.136170","DOIUrl":null,"url":null,"abstract":"<div><p>This work is devoted to the effect of pressure on the structure of lamivudine by using Raman and infrared spectroscopy in diamond anvil cells. The results showed a transition from tetragonal crystal Form Ⅱ to an unknown Form Ⅲ' at approximately 1.26 GPa, followed by a transition from Form Ⅲ' to Form Ⅳ' at pressure of 7.23 GPa. The phase transitions were marked by unique profiles and pressure-dependent characteristic modes. Pressure-induced changes in structural symmetry led to conformational transition in lamivudine. Furthermore, there was a considerable conformational variation between A and D in lamivudine molecule to maintain structural balance. Spectroscopic measurements indicated that these pressure-induced changes were reversible below approximately 0.1 GPa.</p></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1292 ","pages":"Article 136170"},"PeriodicalIF":4.7000,"publicationDate":"2023-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Molecular Structure","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0022286023012632","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0

Abstract

This work is devoted to the effect of pressure on the structure of lamivudine by using Raman and infrared spectroscopy in diamond anvil cells. The results showed a transition from tetragonal crystal Form Ⅱ to an unknown Form Ⅲ' at approximately 1.26 GPa, followed by a transition from Form Ⅲ' to Form Ⅳ' at pressure of 7.23 GPa. The phase transitions were marked by unique profiles and pressure-dependent characteristic modes. Pressure-induced changes in structural symmetry led to conformational transition in lamivudine. Furthermore, there was a considerable conformational variation between A and D in lamivudine molecule to maintain structural balance. Spectroscopic measurements indicated that these pressure-induced changes were reversible below approximately 0.1 GPa.

拉米夫定的高压多态性
本文利用拉曼光谱和红外光谱在金刚石砧细胞中研究了压力对拉米夫定结构的影响。结果表明,在约1.26 GPa的压力下,晶体从方晶形式Ⅱ转变为未知形式Ⅲ',然后在7.23 GPa的压力下从形式Ⅲ'转变为形式Ⅳ'。相变具有独特的轮廓和与压力相关的特征模式。压力引起的结构对称变化导致拉米夫定的构象转变。此外,在拉米夫定分子中,a和D之间存在相当大的构象变化,以维持结构平衡。光谱测量表明,这些压力引起的变化在大约0.1 GPa以下是可逆的。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 求助全文
来源期刊
Journal of Molecular Structure
Journal of Molecular Structure 化学-物理化学
CiteScore
7.10
自引率
15.80%
发文量
2384
审稿时长
45 days
期刊介绍: The Journal of Molecular Structure is dedicated to the publication of full-length articles and review papers, providing important new structural information on all types of chemical species including: • Stable and unstable molecules in all types of environments (vapour, molecular beam, liquid, solution, liquid crystal, solid state, matrix-isolated, surface-absorbed etc.) • Chemical intermediates • Molecules in excited states • Biological molecules • Polymers. The methods used may include any combination of spectroscopic and non-spectroscopic techniques, for example: • Infrared spectroscopy (mid, far, near) • Raman spectroscopy and non-linear Raman methods (CARS, etc.) • Electronic absorption spectroscopy • Optical rotatory dispersion and circular dichroism • Fluorescence and phosphorescence techniques • Electron spectroscopies (PES, XPS), EXAFS, etc. • Microwave spectroscopy • Electron diffraction • NMR and ESR spectroscopies • Mössbauer spectroscopy • X-ray crystallography • Charge Density Analyses • Computational Studies (supplementing experimental methods) We encourage publications combining theoretical and experimental approaches. The structural insights gained by the studies should be correlated with the properties, activity and/ or reactivity of the molecule under investigation and the relevance of this molecule and its implications should be discussed.
文献相关原料
公司名称
产品信息
阿拉丁
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术官方微信