In situ 3D topographic and shape analysis by synchrotron radiation X-ray microtomography for crystal form identification in polymorphic mixtures

doi:10.1038/srep24763

CORC > 上海药物研究所 > 中国科学院上海药物研究所 > 药物制剂研究中心

	In situ 3D topographic and shape analysis by synchrotron radiation X-ray microtomography for crystal form identification in polymorphic mixtures
	Yin, Xian-Zhen 1,2; Xiao, Ti-Qiao 3; Nangia, Ashwini 4; Yang, Shuo 1; Lu, Xiao-Long 1; Li, Hai-Yan1 ; Shao, Qun 2; He, You 3; York, Peter 2; Zhang, Ji-Wen1
刊名	SCIENTIFIC REPORTS
	2016-04-21
卷号	6
ISSN号	2045-2322
DOI	10.1038/srep24763
文献子类	Article
英文摘要	Polymorphism denotes the existence of more than one crystal structure of a substance, and great practical and theoretical interest for the chemical and pharmaceutical industries. In many cases, it is challenging to produce a pure crystal form and establish a sensitive detection method for the identification of crystal form in a mixture of polymorphs. In this study, an accurate and sensitive method based on synchrotron radiation X-ray computed microtomography (SR-mu CT) was devised to identify the polymorphs of clopidogrel bisulphate (CLP). After 3D reconstruction, crystal particles were extracted and dozens of structural parameters were calculated. Whilst, the particle shapes of the two crystal forms were all irregular, the surface of CLP II was found to be rougher than CLP I. In order to classify the crystal form based on the quantitative morphological property of particles, Volume Bias Percentage based on Surface Smoothing (VBP) was defined and a new method based on VBP was successfully developed, with a total matching rate of 99.91% for 4544 particles and a lowest detectable limit of 1%. More important for the mixtures in solid pharmaceutical formulations, the interference of excipients can be avoided, a feature cannot achieved by other available analytical methods.
资助项目	National Natural Science Foundation of China[81430087] ; National Science and Technology Major Project[2013ZX094021037]
WOS关键词	CLOPIDOGREL BISULFATE ; CONTROLLED-RELEASE ; QUANTIFICATION ; SPECTROSCOPY ; DIFFRACTION ; MICROSCOPY ; IMPURITY ; KINETICS ; TABLETS
WOS研究方向	Science & Technology - Other Topics
语种	英语
出版者	NATURE PUBLISHING GROUP
WOS记录号	WOS:000374501000002
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/276068]
专题	药物制剂研究中心分子影像中心（筹）
通讯作者	Zhang, Ji-Wen
作者单位	1.Chinese Acad Sci, Shanghai Inst Mat Med, Ctr Drug Delivery Syst, Shanghai 201210, Peoples R China; 2.Univ Bradford, Inst Pharmaceut Innovat, Bradford BD7 1DP, W Yorkshire, England; 3.Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai Synchrotron Radiat Facil, Shanghai 201204, Peoples R China; 4.Univ Hyderabad, Sch Chem, Hyderabad 500046, Andhra Pradesh, India
推荐引用方式 GB/T 7714	Yin, Xian-Zhen,Xiao, Ti-Qiao,Nangia, Ashwini,et al. In situ 3D topographic and shape analysis by synchrotron radiation X-ray microtomography for crystal form identification in polymorphic mixtures[J]. SCIENTIFIC REPORTS,2016,6.
APA	Yin, Xian-Zhen.,Xiao, Ti-Qiao.,Nangia, Ashwini.,Yang, Shuo.,Lu, Xiao-Long.,...&Zhang, Ji-Wen.(2016).In situ 3D topographic and shape analysis by synchrotron radiation X-ray microtomography for crystal form identification in polymorphic mixtures.SCIENTIFIC REPORTS,6.
MLA	Yin, Xian-Zhen,et al."In situ 3D topographic and shape analysis by synchrotron radiation X-ray microtomography for crystal form identification in polymorphic mixtures".SCIENTIFIC REPORTS 6(2016).