实用化导向的X射线晶体学与结构解析教学改革探索

引用本文: 周宇乔, 曹伟地, 董顺喜, 林丽丽, 刘小华. 实用化导向的X射线晶体学与结构解析教学改革探索[J]. 大学化学, 2024, 39(3): 23-28. doi: 10.3866/PKU.DXHX202303003 shu

Citation: Yuqiao Zhou, Weidi Cao, Shunxi Dong, Lili Lin, Xiaohua Liu. Study on the Teaching Reformation of Practical X-ray Crystallography[J]. University Chemistry, 2024, 39(3): 23-28. doi: 10.3866/PKU.DXHX202303003 shu

实用化导向的X射线晶体学与结构解析教学改革探索

四川大学化学学院绿色化学与技术教育部重点实验室, 成都 610064

通讯作者: 刘小华,Email:liuxh@scu.edu.cn

基金项目:
四川省高等教育人才培养质量和教学改革重点项目(JG2021-2)资助；四川省高等教育人才培养质量和教学改革项目(JG2021-36)资助；四川大学新世纪高等教育教学改革工程研究重点项目(SCU9013)资助；四川大学研究生教育教学改革研究重点项目(GSSCU2021020)资助

摘要: 结构决定性能。物质结构是当代化学、材料、生物学科前沿探索的基石和导引，测定解析物质结构是很多科研工作者必备的技能和研究手段。X射线衍射是结构测定最常见的方法之一。在科研一线工作的师生对X射线晶体学知识和结构解析技能有着大量的需求。然而，当前国内高校开设专业X射线晶体学课程较少，课程内容理论性强，实践环节不足，不能完全满足非晶体专业方向学生需求。面对X射线衍射结构解析的实际问题，学生难以从传统课程和导师等渠道得到足够支持帮助，需求和供给存在缺口。本文分析国内X射线晶体学教学和知识传播现状以及存在的问题，从知识提升、技能培养和信心树立三个方面针对性地改革X射线晶体学与结构解析的教学方式和内容，通过将传统课程拆分为X射线衍射原理、简明晶体学和结构解析技术三部分，扩充实践内容环节，特别是晶体数据收集和结构解析精修的要点技巧，辅以必要的基础理论知识，有效补充广大非晶体专业方向师生亟需的X射线晶体学基础知识和结构解析技术，围绕学生科研一线实际需要，以提升实战技能来解决学生的痛点和难点，同时树立学生面对结构解析的自信心。

关键词:

English

Study on the Teaching Reformation of Practical X-ray Crystallography

Key Laboratory of Green Chemistry&Technology, Ministry of Education, College of Chemistry, Sichuan University, Chengdu 610064, China

Corresponding author: Xiaohua Liu, liuxh@scu.edu.cn

Received Date: 01 March 2023

Abstract: The properties of materials are determined by their structures. The research on structures is the basis and guidance of modern chemistry, material and biology, and the structure determination is an essential skill and method for scholars and students. X-ray diffraction is the most common method to investigate the structures of matter. However, current X-ray crystallography courses offered by Chinese universities were hindered by the limited capacities, the overemphasis on theories and the lack of practices, which cannot fulfill the need of students especially those who focused their research on non-crystallographic areas. Consequently, students find it difficult to obtain efficient and accurate support and guidance from existing resources and instructors, leaving a large gap between the requirement and supply when facing problems in X-ray structure determination. In this work, the current domestic situation of the popularization of X-ray crystallography was investigated. To improve the capabilities of X-ray structure determination for the teachers and students, the current teaching methods and contents of X-ray crystallography courses need to be reformed to be more practical to meet the needs of non-crystallographic users. Detailed suggestions were clarified for the improvement from three aspects: knowledge, skill, and confidence, and assigned the practical X-ray crystallography into three section: the principle of X-ray, introduction to crystallography, skills for X-ray diffraction data collection and structure refinement. We also need to improve students’ confidence during processing the structure determination.

Key words:

1. [1]
  苏浩, 王鹏飞, 李晖. 大学化学, 2019, 34 (2), 30.
2. [2]
  陈小明, 蔡继文. 单晶结构分析原理与实践. 北京: 科学出版社, 2007: 1.
3. [3]
  Müller, P.; Herbst-Irmer, R.; Spek, A. L.; Schneider, T. R.; Sawaya M. R. Crystal Structure Refinement: A Crystallographer’s Guide to SHELXL. 陈昊鸿, 赵景泰, 译. 北京: 高等教育出版社, 2010: I.
4. [4]
  Sheldrick, G. M. Acta Crystallogr. 2008, A64, 112.Sheldrick, G. M. Acta Crystallogr. 2008, A64, 112.
5. [5]
  Spek, A. L. Appl. Cryst. 2009,36, 7.Spek, A. L. Appl. Cryst. 2009,36, 7.
6. [6]
  Spek, A. L. Acta Crystallogr. 2009, D65, 148.Spek, A. L. Acta Crystallogr. 2009, D65, 148.
7. [7]
  Zhu, H. G.; Yang, G.; Chen, X. M.; Ng, S. W. Acta Cryst. 2000, C56, e430.Zhu, H. G.; Yang, G.; Chen, X. M.; Ng, S. W. Acta Cryst. 2000, C56, e430.
8. [8]
  Vishweshwar, P.; McMahon, J. A.; Oliveira, M.; Peterson, M. L.; Zaworotko, M. J. J. Am. Chem. Soc. 2005,127, 16802.Vishweshwar, P.; McMahon, J. A.; Oliveira, M.; Peterson, M. L.; Zaworotko, M. J. J. Am. Chem. Soc. 2005,127, 16802.
9. [9]
  Lou, B.; Boström, D.; Velaga, S. P. Cryst. Growth Des. 2009, 9, 1254.Lou, B.; Boström, D.; Velaga, S. P. Cryst. Growth Des. 2009, 9, 1254.
10. [10]
  Bond, A. D.; Boese, R.; Desiraju, G. R. Angew. Chem. Int. Ed. 2007, 46, 615.Bond, A. D.; Boese, R.; Desiraju, G. R. Angew. Chem. Int. Ed. 2007, 46, 615.
11. [11]
  Bond, A. D.; Boese, R.; Desiraju, G. R. Angew. Chem. Int. Ed. 2007, 46, 618.Bond, A. D.; Boese, R.; Desiraju, G. R. Angew. Chem. Int. Ed. 2007, 46, 618.
12. [12]
  Bond, A. D. CrystEngComm 2012,14, 2363.Bond, A. D. CrystEngComm 2012,14, 2363.

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沈阳化工大学材料科学与工程学院沈阳 110142

实用化导向的X射线晶体学与结构解析教学改革探索

通讯作者: 刘小华,Email:liuxh@scu.edu.cn

English

Study on the Teaching Reformation of Practical X-ray Crystallography

Corresponding author: Xiaohua Liu, liuxh@scu.edu.cn

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通讯作者: 陈斌, bchen63@163.com

中国化学会秘书处

实用化导向的X射线晶体学与结构解析教学改革探索

通讯作者: 刘小华,Email:liuxh@scu.edu.cn

English

Study on the Teaching Reformation of Practical X-ray Crystallography

Corresponding author: Xiaohua Liu, liuxh@scu.edu.cn

CCS Chemistry：嵌段共聚物自组装成 “三明治”二维有机材料，实现纳米级压力传感功能

CCS Chemistry：颜徐州、鲍哲南： 你的皮肤可能是一片SPMs

CCS Chemistry：工作高效不疲劳，只须让催化剂动起来

CCS Chemistry：静电组装导向聚合- 聚电解质纳米凝胶量化制备新策略

CCS Chemistry：金黄色葡萄球菌醛基脱氢酶是如何识别特异性底物的？

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