摘要
Mercury软件作为剑桥晶体学数据中心开发的专业分子可视化与分析工具,其强大的三维结构呈现与计算功能为化学教学提供了创新性辅助手段。本文以抗炎药布洛芬为教学案例,探讨了Mercury软件在大学化学课程中的多维度应用。在结构教学方面,通过布洛芬分子的三维空间模型,直观展示了该分子的官能团分布、键长键角参数,有效解决了传统二维结构式教学中的空间想象难题。在立体化学模块中,采用构象叠加分析对比布洛芬不同构象的差异,结合手性异构体动态演示,显著提升了学生对构象异构与对映异构概念的认知。在分子性能拓展方面,利用软件内置的机械性能预测模块,解析布洛芬晶体的氢键网络特征,将药物分子结构与宏观物理性质建立直观联系。教学实践表明,Mercury软件不仅能突破化学微观过程的可视化瓶颈,更能培养学生运用计算工具解决实际问题的科学素养,为高校化学教学改革提供了可推广的实践方案。
As a professional molecular visualization and analysis tool developed by the Cambridge Crystallographic Data Centre(CCDC),Mercury software provides innovative auxiliary means for chemistry education through its powerful three-dimensional structural representation and computational capabilities.The anti-inflammatory drug ibuprofen was employed was a teaching case to explore the multidimensional applications of Mercury software in university Chemistry courses.In structural chemistry instruction,the three-dimensional spatial model of the ibuprofen molecule visually demonstrated the distribution of functional groups,bond lengths and bond angles,effectively addressing the spatial visualization challenges inherent in traditional two-dimensional structural representations.Within the stereochemistry module,conformational superposition analysis was utilized to compare differences between various ibuprofen conformers,while dynamic visualization of chiral isomers significantly enhanced students’comprehension of conformational and enantiomeric differences.In molecular property exploration,the software’s built-in mechanical property prediction module facilitated the analysis of hydrogen bonding network characteristics in ibuprofen crystals,establishing an intuitive connection between molecular structure and macroscopic physical properties.Teaching practice demonstrated that Mercury software not only overcame the visualization limitations of microscopic chemical processes,but also cultivated students’scientific literacy in applying computational tools to solve practical problems.This approach provided a replicable implementation strategy for the reform of higher education chemistry pedagogy.
作者
王林
朱箬楠
徐晓燕
WANG Lin;ZHU Ruonan;XU Xiaoyan(Jiangsu Vocational College of Agriculture and Forestry,Jiangsu Jurong 212400,China)
出处
《广州化工》
2025年第24期165-167,194,共4页
GuangZhou Chemical Industry
基金
江苏高校哲学社会科学研究一般项目(2024SJYB1657)
生物技术职业教育教学指导委员会教育科学研究项目(XMLX2025041)
江苏农林职业技术学院教育科学研究项目(JK202520)。
