IRES: Development of New Ligands and Reactions in Catalysis
IRES:新配体和催化反应的开发
基本信息
- 批准号:1658192
- 负责人:
- 金额:$ 25万
- 依托单位:
- 依托单位国家:美国
- 项目类别:Standard Grant
- 财政年份:2017
- 资助国家:美国
- 起止时间:2017-09-01 至 2023-08-31
- 项目状态:已结题
- 来源:
- 关键词:
项目摘要
Title: Development of New Ligands and Reactions in CatalysisOlaf Wiest and Paul HelquistUniversity of Notre Dame Non-technical Abstract:This project will support research visits of 16 and 10 weeks, respectively, of three graduate and two undergraduate students from the University of Notre Dame to perform research in four of Germany's leading research groups at the University of Heidelberg in the area of catalysis. Catalysis represents the most important general technology in industrial chemistry. More than 80 percent of all chemical products, from pharmaceuticals to high-performance materials, result from use of catalysts at least once during their synthesis. Thus, the development of new and improved catalysts is a central topic in chemistry with huge environmental and economic benefits. Given Heidelberg's prominence in the field of catalysis (as evidenced by the work of several of the 18 winners of the Chemistry Nobel Prize affiliated with the University of Heidelberg) and the structured, long-term character of the proposed program, the students will not only gain the skills and experience but also have networking opportunities to thrive in today's international, interconnected world of science and business.Technical Abstract:The research is divided into four broad areas covering a range of modern topics in catalysis that are common areas of strength researchers at the Universities of Notre Dame and Heidelberg: (i) Ligands, methodology and mechanisms in gold catalysis (Hashmi), (ii) chiral catalysts with polydentate stereodirecting ligands (Gade), (iii) Oxidation catalysis with high-valent transition metal complexes (Comba) and (iv) Single-Molecule Catalysis (Herten). The individual projects cover organic, metalorganic and physical chemistry aspects of catalysis are designed to interface the research interests of faculty members at the two participating universities. They incorporate a large number of new concepts such as a) new privileged ligand scaffolds that allow the precise positioning of directing groups, e.g. for nitrogen transfer reactions, b) new types of gold-catalyzed reactions such as photoredox catalysis without a secondary metal, c) novel ligands for the stabilization of biomimetic high-valent metals in catalysis and (d) the study of elementary reaction steps of important catalytic reactions such as metathesis or epoxidation reactions at the single molecule level. Their unifying principle is a rigorous structure- and mechanism-based approach whereby a range of advanced experimental and computational tools are used to generate a hypothesis, which is then tested experimentally in an iterative and accelerated fashion.
标题:Notreaf dame非技术摘要的催化性配体的开发和反应的发展:该项目将分别支持16和10周的研究访问,分别是三名研究生和两名来自巴黎大学的大学生的研究生,并在德国大学四分之一的领先研究小组中,在Heidelberg of Heidelberg of Catcals Catcals Cate Ally of Heidelberg of Cateal of Cateal of Cateal of Cateal of Catcally of Notre Dame上进行研究。催化是工业化学中最重要的一般技术。从药品到高性能材料,超过80%的化学产品在合成过程中至少使用一次催化剂。因此,新的和改进的催化剂的发展是化学中具有巨大环境和经济利益的核心主题。鉴于海德堡在催化领域的突出(这是由海德堡大学隶属于诺贝尔奖的18个获奖者的工作所证明的)以及拟议计划的长期结构化的长期特征,学生们将不仅获得技能和经验,而且还具有在当今的国际上涉及的跨越社会的社交范围,这是一位与科学界的跨越跨度的,这是一位跨越了一位与科学界的研究。催化中的一系列现代主题是巴黎圣母院和海德堡大学的强度研究人员的共同领域:(i)金催化(Hashmi)的配体,方法和机制(Hashmi),(ii)用多Dentate compition(gade)(gade),(iiiii ii)(III)(iii)(iii)(iii)(iii)(iii)(III)(III)(III)(III)的手性催化剂(III)(III)(III)(III) (iv)单分子催化(赫尔滕)。各个项目涵盖了催化的有机,金属和物理化学方面,旨在将两所参与大学的教职员工的研究兴趣接触。他们结合了许多新概念,例如a)新的特权配体脚手架,这些配体脚手架可以精确定位指导组,例如对于氮转移反应,b)新型的金催化反应,例如没有二级金属的光毒素催化,c)新型配体在催化中稳定生物映射高价值金属,以及(d)重要的催化反应的基本反应步骤,例如在单个分解或层析反应的基本反应步骤。它们的统一原理是一种基于严格的结构和机制的方法,其中使用一系列高级实验和计算工具来生成假设,然后以迭代和加速的方式在实验中对其进行测试。
项目成果
期刊论文数量(2)
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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Olaf Wiest其他文献
Developing a pH-Jump Chemical Triggering Method for Time-Resolved Diffraction in Bacterial HMG-CoA Reductase
- DOI:
10.1016/j.bpj.2019.11.875 - 发表时间:
2020-02-07 - 期刊:
- 影响因子:
- 作者:
Vatsal Purohit;Tony Rosales;Chandra Critchelow;Calvin Steussy;Tim Schmidt;Olaf Wiest;Paul Helquist;Cynthia V. Stauffacher - 通讯作者:
Cynthia V. Stauffacher
Data-Efficient, Chemistry-Aware Machine Learning Predictions of Diels-Alder Reaction Outcomes.
对 Diels-Alder 反应结果进行数据高效、化学感知的机器学习预测。
- DOI:
- 发表时间:
2024 - 期刊:
- 影响因子:15
- 作者:
Angus B. Keto;Taicheng Guo;Morgan Underdue;T. Stuyver;Connor W. Coley;Xiangliang Zhang;E. Krenske;Olaf Wiest - 通讯作者:
Olaf Wiest
Utilizing a pH-dependent reaction triggering method to elucidate the mechanism of bacterial HMG-CoA reductase using time-resolved crystallography
- DOI:
10.1016/j.bpj.2021.11.2464 - 发表时间:
2022-02-11 - 期刊:
- 影响因子:
- 作者:
Vatsal Purohit;Calvin Steussy;Tim Schmidt;Chandra J. Duncan;Tony Rosales;Paul Helquist;Olaf Wiest;Cynthia V. Stauffacher - 通讯作者:
Cynthia V. Stauffacher
Are we Making Much Progress? Revisiting Chemical Reaction Yield Prediction from an Imbalanced Regression Perspective
我们取得了很大进展吗?
- DOI:
- 发表时间:
2024 - 期刊:
- 影响因子:0
- 作者:
Yihong Ma;Xiaobao Huang;B. Nan;Nuno Moniz;Xiangliang Zhang;Olaf Wiest;N. Chawla - 通讯作者:
N. Chawla
Synergistic approaches to elucidation of enzyme mechanisms/dynamics
- DOI:
10.1016/j.bpj.2023.11.188 - 发表时间:
2024-02-08 - 期刊:
- 影响因子:
- 作者:
Mikaela Farrugia;Olaf Wiest;Paul Helquist - 通讯作者:
Paul Helquist
Olaf Wiest的其他文献
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{{ truncateString('Olaf Wiest', 18)}}的其他基金
IRES Track I: Development of New Ligands and Reactions in Catalysis
IRES Track I:新配体和催化反应的开发
- 批准号:
2246248 - 财政年份:2023
- 资助金额:
$ 25万 - 项目类别:
Standard Grant
Computational Prediction of Enantioselectivity in Metal-Catalyzed Reactions
金属催化反应中对映选择性的计算预测
- 批准号:
2247232 - 财政年份:2023
- 资助金额:
$ 25万 - 项目类别:
Standard Grant
NSF Center for Computer-Assisted Synthesis
NSF 计算机辅助合成中心
- 批准号:
2202693 - 财政年份:2022
- 资助金额:
$ 25万 - 项目类别:
Cooperative Agreement
CCI Phase I: NSF Center for Computer Assisted Synthesis
CCI 第一阶段:NSF 计算机辅助合成中心
- 批准号:
1925607 - 财政年份:2019
- 资助金额:
$ 25万 - 项目类别:
Standard Grant
Computational Prediction of Enantioselectivity in Metal-Catalyzed Reactions
金属催化反应中对映选择性的计算预测
- 批准号:
1855908 - 财政年份:2019
- 资助金额:
$ 25万 - 项目类别:
Standard Grant
Computational Prediction of Enantioselectivity in Metal-Catalyzed Reactions
金属催化反应中对映选择性的计算预测
- 批准号:
1565669 - 财政年份:2016
- 资助金额:
$ 25万 - 项目类别:
Standard Grant
Structure, Reactivity and Selectivity of Hydrocarbon Radical Cations
烃自由基阳离子的结构、反应性和选择性
- 批准号:
0415344 - 财政年份:2004
- 资助金额:
$ 25万 - 项目类别:
Continuing Grant
Acquisition of A High Performance Computing System
购置高性能计算系统
- 批准号:
0079647 - 财政年份:2000
- 资助金额:
$ 25万 - 项目类别:
Standard Grant
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相似海外基金
IRES Track I: Development of New Ligands and Reactions in Catalysis
IRES Track I:新配体和催化反应的开发
- 批准号:
2246248 - 财政年份:2023
- 资助金额:
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