Progression of Absolute Configuration Determination in Natural Product Chemistry Using Optical Rotation (Dispersion), Matrix Determinant and Electronic Circular Dichroism Methods
Zhao, Sheng-Ding1,2; Shen, Lan1,4; Luo, Du-Qiang3; Zhu, Hua-Jie1
2011-06-01
发表期刊CURRENT ORGANIC CHEMISTRY
ISSN1385-2728
卷号15期号:11页码:1843-1862
摘要With the development of separation materials, more and more complex natural products with poly-stereogenic centers are obtained. However, due to small quantity of the isolated compounds, or no crystal formed, or complex 2D NMR correlation signals, absolute configuration identification for these compounds becomes difficult. Now, computational methods provide researchers many benefits in structural determinations for chiral natural products. Computational methods include (1) optical rotation (OR) and its dispersion (ORD) computations; (2) electronic circular dichroism (ECD or CD) calculations; (3) computations of determinant of matrix for stereogenic centers. In methods (1) to (2), the mostly used quantum theory contained density functional theory (DFT) with different basis sets, e.g. B3LYP/aug-cc-pVDZ//B3LYP/6-31G(d). Effects from solvents on OR value can be investigated using different corresponding software. In the cases, optimizations performed in the corresponding solution are helpful to obtain the correct predictions although it is not usual at present time. Matrix model as one of the mathematic methods is different from quantum methods, which is of easily being understood and effective in absolute configuration assignment for acyclic chiral compounds. In this review, necessary theory basis for the three methods are simply introduced for modern readers, the focus of which is the application of these methods in natural product chemistry by various examples reported in different journals from 1998 to the end of April of 2010 except for matrix method to the May of 2010 based on an experimental chemist's viewpoints.
关键词Dft Ecd Or Absolute Configuration Determination
资助信息NSFC[30770235, 30873141]; CAS[YZ-06-01]; 973 Program[2009CB522300]; Key State Laboratory of Phytochemistry and Plant Resources in West China of KIB (CAS)
学科领域Chemistry
收录类别SCI
语种英语
WOS研究方向Chemistry
WOS类目Chemistry, Organic
WOS记录号WOS:000291641000012
引用统计
被引频次:33[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.kib.ac.cn/handle/151853/14543
专题植物化学与西部植物资源持续利用国家重点实验室
作者单位1.CAS, Kunming Inst Bot, Organ Synth & Nat Product Lab, State Key Lab Phytochem & Plant Resources W China, Kunming 650204, Yunnan, Peoples R China
2.Yunnan Univ Tradit Chinese Med, Kunming 650500, Yunnan, Peoples R China
3.Hebei Univ, Coll Life Sci, Key Lab Med Chem & Mol Diag, Minist Educ, Baoding 071002, Peoples R China
4.CAS, Grad Sch, Beijing 100049, Peoples R China
推荐引用方式
GB/T 7714
Zhao, Sheng-Ding,Shen, Lan,Luo, Du-Qiang,et al. Progression of Absolute Configuration Determination in Natural Product Chemistry Using Optical Rotation (Dispersion), Matrix Determinant and Electronic Circular Dichroism Methods[J]. CURRENT ORGANIC CHEMISTRY,2011,15(11):1843-1862.
APA Zhao, Sheng-Ding,Shen, Lan,Luo, Du-Qiang,&Zhu, Hua-Jie.(2011).Progression of Absolute Configuration Determination in Natural Product Chemistry Using Optical Rotation (Dispersion), Matrix Determinant and Electronic Circular Dichroism Methods.CURRENT ORGANIC CHEMISTRY,15(11),1843-1862.
MLA Zhao, Sheng-Ding,et al."Progression of Absolute Configuration Determination in Natural Product Chemistry Using Optical Rotation (Dispersion), Matrix Determinant and Electronic Circular Dichroism Methods".CURRENT ORGANIC CHEMISTRY 15.11(2011):1843-1862.
条目包含的文件
文件名称/大小 文献类型 版本类型 开放类型 使用许可
0012D.pdf(728KB) 开放获取--请求全文
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Zhao, Sheng-Ding]的文章
[Shen, Lan]的文章
[Luo, Du-Qiang]的文章
百度学术
百度学术中相似的文章
[Zhao, Sheng-Ding]的文章
[Shen, Lan]的文章
[Luo, Du-Qiang]的文章
必应学术
必应学术中相似的文章
[Zhao, Sheng-Ding]的文章
[Shen, Lan]的文章
[Luo, Du-Qiang]的文章
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。