含氟药物地塞米松棕榈酸酯分子结构三级近红外光谱研究  

Study on Tertiary Near Infrared Spectroscopy of Molecular Structure of Fluorine-containing Drug Dexamethasone Palmitate

作　　者：杜林楠 孟肖 刘诗琪 孔晓美 雷晓静 吉一帆 柴嘉欣 于宏伟[1,4] DU Linnan;MENG Xiao;LIU Shiqi;KONG Xiaomei;LEI Xiaojing;JI Yifan;CHAI Jiaxin;YU Hongwei(Shijiazhuang University,College of Chemical Technology,Shijiazhuang 050035,China;School of Basic Medicine,Shanxi Medical University,Jinzhong 030600,China;Hebei University of Science&Technology School of Chemical and Pharmaceutical Engineering,Shijiazhuang 050018,China;Anesthetic Technology Innovation Center of Hebei Province,Shijiazhuang 050035,China)

机构地区：[1]石家庄学院化工学院,河北石家庄050035 [2]山西医科大学基础医学院,山西晋中030600 [3]河北科技大学化学与制药工程学院,河北石家庄050018 [4]河北省麻醉药技术创新中心,河北石家庄050035

出　　处：《有机氟工业》2024年第3期16-24,共9页Organo-Fluorine Industry

基　　金：石家庄市麻醉药技术创新中心项目(石科【2019】34号);河北省生物制药国际联合中心项目(冀科外函【2022】3号)。

摘　　要：利用一维漫反射近红外(NIR)光谱和一维原位漫反射NIR光谱分别开展了地塞米松棕榈酸酯分子结构和平均吸收频率/吸收强度的研究。利用二维原位漫反射NIR光谱进一步开展了地塞米松棕榈酸酯分子官能团变化快慢顺序的研究。研究发现,地塞米松棕榈酸酯分子结构的NIR光谱吸收模式主要包括游离O—H官能团伸缩振动倍频模式(ν_(1-一维))、缔合O—H官能团伸缩振动倍频模式(ν_(2-一维))、CH_(2)官能团对称伸缩振动倍频模式(ν3-一维)、C=O官能团伸缩振动倍频模式(ν_(4-一维))、CH_(2)官能团不对称伸缩振动和CH_(2)官能团对称伸缩振动合频模式(ν_(5-一维))。地塞米松棕榈酸酯分子结构2级倍频模式NIR光谱吸收频率数据重现性相对较差,而1级倍频模式NIR光谱吸收频率数据重现性相对较好。室温下,地塞米松棕榈酸酯分子官能团变化快慢顺序存在着一定的差异性。一维原位漫反射NIR/二维原位漫反射NIR光谱联用技术可以有效开展地塞米松棕榈酸酯分子结构研究。The molecular structure and average absorption frequency/intensity of dexamethasone palmitate were studied using one-dimensional diffuse reflectance near-infrared(NIR)spectroscopy and one-dimensional in-situ diffuse reflectance NIR spectroscopy respectively.Two-dimensional in situ diffuse reflectance NIR spectroscopy further investigated the sequence of changes in the functional groups of dexamethasone palmitate molecules.The experi⁃ment found that the NIR spectroscopy absorption mode of the molecular structure of dexamethasone palmitate mainly includes the free O—H groups stretching vibration frequency doubling mode(ν_(1-one-dimensional)),associated O—H groups stretching vibration frequency doubling mode(ν_(2-one-dimensional)),CH_(2) symmetric stretching vibration frequency doubling mode(ν_(3-one-dimensional)),C=O group stretching vibration frequency doubling mode(ν_(4-one-dimensional))and the combined frequency mode of CH_(2) groups asymmetric stretching vibration and CH_(2) group and symmetric stretching vibration(ν5-one-dimensional).The reproducibility of the molecular structure of dexamethasone palmitate in the 2nd level frequency doubling mode NIR spectral absorption frequency data is relatively poor,while the reproducibility of the 1st level frequency doubling mode NIR spectral absorption frequency data is relatively good.At room temperature,there is a certain difference in the order of the change in the functional groups of dexamethasone palmitate molecules.The one-dimensional in situ diffuse reflectance NIR/two-dimensional in situ diffuse reflectance NIR external spectroscopy combined technique can effectively carry out molecular structure research of dexamethasone palmitate.

关 键 词：地塞米松棕榈酸酯 一维漫反射近红外光谱 一维原位漫反射近红外光谱 二维原位漫反射近红外光谱 结构 

分 类 号：TQ460.1[化学工程—制药化工] O657.33[理学—分析化学]