Crystal Structure Determination of Chlorogenic Acid by X-ray Powder Diffraction

WU Ling-ling; HAN Mo; GE Er-ning; HUANG Zhen; ZHONG Xiao-ming

您当前的位置：

首页 >

文章列表页 >

Crystal Structure Determination of Chlorogenic Acid by X-ray Powder Diffraction

更新时间：2024-01-04

- Crystal Structure Determination of Chlorogenic Acid by X-ray Powder Diffraction
- Chinese Journal of Experimental Traditional Medical Formulae Vol. 16, Issue 17, Pages: 96-98(2010)
- 作者机构：
- 作者简介：
- 基金信息：
- DOI：
  CLC：
- Published：2010
- 稿件说明：
移动端阅览
WU Ling-ling, HAN Mo, GE Er-ning, et al. Crystal Structure Determination of Chlorogenic Acid by X-ray Powder Diffraction[J]. Chinese journal of experimental traditional medical formulae, 2010, 16(17): 96-98.
DOI：

WU Ling-ling, HAN Mo, GE Er-ning, et al. Crystal Structure Determination of Chlorogenic Acid by X-ray Powder Diffraction[J]. Chinese journal of experimental traditional medical formulae, 2010, 16(17): 96-98. DOI：

摘要

目的: 以绿原酸粉末为研究对象

利用粉末X射线衍射解析其晶体结构。方法: 利用X射线粉末衍射仪在步长0.01°条件下进行扫描

获得了较高分辨率的衍射图谱。结果: 通过指标化确定其所属晶系及其空间群

之后再通过Monte Carlo模拟退火和Rietveld精修确定其三维晶体结构模型和晶胞中各原子的分数坐标。结论: 绿原酸属于斜方晶系

Pna21空间群

其晶胞参数为a=36.132

b=11.709

c=8.152

ɑ=90°

β=90°

r=90°

晶胞体积为3 448.86 3

其中每个晶胞中含有4个分子(Z=4)。

Abstract

ObJective: As the research obJect of chlorogenic acid

using X-ray powder diffraction analysis of its crystal structure. Method: In use of XPRD at step of 0.01° scan and get a high-resolution diffraction pattern. Result: Through indexing to identify the crystal system and the space group

then used monte carlo simulated annealing method and rietveld refinement to determine the three-dimensional crystal structure and fractional coordinates of each atom in crystal cell. Conclusion: Powder crystal structure of chlorogenic acid is orthorhombic

space group Pna21 with unit cell dimensions a=36.132

b=11.709

c=8.152

ɑ=90°

β=90°

r=90°

V=3 448.86 3

Z=4.

关键词

Keywords

references

Views

下载量

CSCD

Alert me when the article has been cited

提交

Tools

Publicity Resources

Quality Evaluation and Suggestions on Pharmacopoeia Standard of Eucommiae Folium

Analysis on Chemical Constituents and Dynamic Accumulation of Main Components in Arctium lappa Leaves

Metabonomics Analysis on Different Varieties of Angelica sinensis Based on UPLC-Q-TOF-MS

Quantitative Determination of Four Active Constituents in Anti-inflammatory and Analgesic Active Fraction of Gaultheria leucocarpa var. yunnanensis

Reaction of Chlorogenic Acid with Sulfite and Its Application in Identification of Sulfur-fumigated Herbs

Related Author

WANG Ping

LIANG Shaojia

ZHANG Wenwen

FENG Weihong

YI Hong

LI Chun

GUO Fengqian

SI Qin

Related Institution

Institute of Traditional Chinese Medicine（TCM），Shanghai University of TCM

Yanling DU Renkang Biotechnology Co. Ltd.

Institute of Chinese Materia Medica，China Academy of Chinese Medical Sciences

Henan University of Chinese Medicine

Engineering Technology Research Center for Comprehensive Development and Utilization of Authentic Medicinal Materials in Henan Province， Henan University of Chinese Medicine

AI问答

Postal code：100700
Tel：010-84076882 Email：syfjx_2010@188.com
Technical support is provided by Beijing Founder electronics co., LTD 京ICP备11006657号-10 京公网安备11010802024621
It is recommended to read the content of this site in Chrome&IE9+. Please switch to extreme mode in browser 360.
Cookies We use cookies to help provide and enhance our service and tailor content. By continuing, you agree to the use of cookies.

⁰