Developing Integrated Molecular Modeling, Dynthesis & Spectroscopy Laboratories
开发集成分子建模、合成
基本信息
- 批准号:9750680
- 负责人:
- 金额:$ 8.96万
- 依托单位:
- 依托单位国家:美国
- 项目类别:Standard Grant
- 财政年份:1997
- 资助国家:美国
- 起止时间:1997-06-01 至 2000-05-31
- 项目状态:已结题
- 来源:
- 关键词:
项目摘要
This project addresses the problem of integrating molecular modeling into the undergraduate chemistry curriculum. The objective is to develop a series of integrated molecular modeling, synthesis, and spectroscopy laboratories. The integration of molecular modeling within a synthetic laboratory allows for a unique educational experience. The students are able to use computer-based molecular modeling within a context that closely mimics its application in chemical research. This allows the students to use molecular modeling as a molecular design tool to assist them in the choice of synthetic targets. It also allows them to critically view the results of molecular modeling as they compare the results to physical properties of the complexes they prepare. The experiments consist of a molecular modeling phase in which the students model a series of structurally similar complexes. This modelling is followed by an analysis of the molecular modeling results. The students then make some predictions about the physical properties of the complexes they modeled and select which complexes to prepare in the laboratory. The students prepare the complexes in the laboratory, and they study their chemical properties. The final phase of the experiment involves a comparison of the actual physical properties of the compounds they prepared with the predictions they made following the molecular modeling exercises. World Wide Web based tutorials are used to assist the students in the use of the CAChe molecular modeling package to reduce the amount of hands-on time needed to teach the students the details of the molecular modeling computer interface. The initial modeling/synthesis/spectroscopy experiments are being designed, tested, and implemented for the inorganic chemistry laboratory and can be expanded to other parts of the undergraduate curriculum. *
本计画旨在探讨将分子模拟融入大学化学课程的问题。 目标是开发一系列集成的分子建模、合成和光谱实验室。 分子建模在合成实验室内的整合允许一个独特的教育经验。 学生们能够使用基于计算机的分子建模的背景下,密切模仿其在化学研究中的应用。 这使学生能够使用分子建模作为分子设计工具,以帮助他们选择合成目标。 它还允许他们批判性地查看分子建模的结果,因为他们将结果与他们制备的复合物的物理性质进行比较。 实验包括一个分子建模阶段,学生在其中模拟一系列结构相似的复合物。 该建模之后是分子建模结果的分析。 然后,学生们对他们模拟的复合物的物理性质进行一些预测,并选择在实验室中制备的复合物。 学生们在实验室里准备复合物,并研究它们的化学性质。 实验的最后阶段包括将他们制备的化合物的实际物理性质与他们在分子建模练习后所做的预测进行比较。 基于万维网的教程用于帮助学生使用该高速缓存分子建模包,以减少教授学生分子建模计算机界面的细节所需的动手时间。 最初的建模/合成/光谱实验正在设计,测试和实施的无机化学实验室,可以扩展到本科课程的其他部分。 *
项目成果
期刊论文数量(0)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
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Karen Brewer其他文献
P2‐microglobulin, HIV‐1 p24 antibody and acid‐dissociated HIV‐1 p24 antigen levels: predictive markers for vertical transmission of HIV‐1 in pregnant Ugandan women
P2-微球蛋白、HIV-1 p24 抗体和酸解离的 HIV-1 p24 抗原水平:乌干达孕妇中 HIV-1 垂直传播的预测标记
- DOI:
- 发表时间:
1993 - 期刊:
- 影响因子:0
- 作者:
J. Jackson;P. Kataaha;D. Hom;F. Mmiro;L. Guay;C. Ndugwa;L. Marum;E. Piwowar;Karen Brewer;G. Toedter;D. Hofheinz;K. Olness - 通讯作者:
K. Olness
Rasch Analysis of the Behavioral Assessment Screening Tool for Adolescents (BAST-A) in Mild Traumatic Brain Injury
轻度创伤性脑损伤青少年行为评估筛查工具 (BAST-A) 的拉什分析
- DOI:
10.1007/s40737-023-00364-1 - 发表时间:
2023 - 期刊:
- 影响因子:0
- 作者:
Brittany Wright;S. Juengst;Karen Brewer;C. Cullum;K. Wilmoth;Lauren Terhorst - 通讯作者:
Lauren Terhorst
Effectiveness of a Short Education Series to Reduce Anxiety for Health Professions Graduate Students: A Pilot Study
短期教育系列对减少卫生专业研究生焦虑的有效性:试点研究
- DOI:
10.1097/jte.0000000000000124 - 发表时间:
2020 - 期刊:
- 影响因子:0
- 作者:
Staci M. Shearin;Karen Brewer - 通讯作者:
Karen Brewer
Guest Editor’s Column: Clinical Management of Communicatively-Impaired Adult Neurorehabilitation Caseloads in a Diverse Aging World
客座编辑专栏:多元化老龄化世界中沟通障碍成人神经康复病例的临床管理
- DOI:
- 发表时间:
2017 - 期刊:
- 影响因子:0
- 作者:
Jose G. Centeno;Claire Penn;E. Armstrong;Karen Brewer;Barbara Purves;Meaghan McAllister;Deborah Hersh;E. Godecke;N. Ciccone - 通讯作者:
N. Ciccone
Karen Brewer的其他文献
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{{ truncateString('Karen Brewer', 18)}}的其他基金
Visible Light Induced Interactions with DNA by Rhodium Centered Supramolecular Assemblies
可见光诱导铑中心超分子组装体与 DNA 的相互作用
- 批准号:
0408445 - 财政年份:2004
- 资助金额:
$ 8.96万 - 项目类别:
Continuing Grant
Developing New Molecular Architectures for Devices for Photoinitiated Electron Collection
开发光引发电子收集装置的新分子结构
- 批准号:
9632713 - 财政年份:1996
- 资助金额:
$ 8.96万 - 项目类别:
Continuing Grant
Mixed-Metal Supramolecular Complexes as Photochemical Molecular Devices for Photoinitiated Electron Collection
混合金属超分子配合物作为光化学分子器件用于光引发电子收集
- 批准号:
9313642 - 财政年份:1993
- 资助金额:
$ 8.96万 - 项目类别:
Continuing Grant
Design and Development of Supramolecular Mixed-Metal Systems: The Investigation of Photochemical and Electro- chemical Properties
超分子混合金属系统的设计和开发:光化学和电化学性能的研究
- 批准号:
9108374 - 财政年份:1991
- 资助金额:
$ 8.96万 - 项目类别:
Standard Grant
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