Professors Olaf Wiest and Paul Helquist at the University of Notre Dame are developing computational methods for the fast and accurate prediction of enantioselectivity in metal-catalyzed reactions under a $620,000 National Science Foundation project grant from the Mathematical and Physical Sciences program (CFDA 47.049). The project will continue work on a virtual screening tool that uses quantum-guided molecular mechanics to predict specific catalysts that will produce desired enantiomeric...
This $450,000 Project Grant awarded by the National Science Foundation's (NSF) Division of Chemistry under CFDA program 47.049 (Mathematical and Physical Sciences) supports Professor Yiming Wang at the University of Pittsburgh in developing catalysts based on iridium for the selective synthesis of chemical compounds with precise three-dimensional configurations. The research aims to use alkyne building blocks to create new bonds to elements like sulfur, silicon, germanium, tin, and fluorine,...
This $595,000 Project Grant award from the National Science Foundation's (NSF) Mathematical and Physical Sciences (CFDA 47.049) program supports research by Sharon Neufeldt and her team at Montana State University to study the mechanism and selectivity of oxidative addition reactions involving palladium(0) catalysts and organohalide substrates. The key products and services to be delivered under this 3-year award include: Developing a model to predict the influence of factors like palladium...
This $650,000 Project Grant awarded by the National Science Foundation's (NSF) Mathematical and Physical Sciences program (CFDA 47.049) funds an industrial-academic collaboration between Princeton University and the Merck Catalysis Laboratory. The goal is to develop new sustainable catalytic methods for the large-scale synthesis of pharmaceutical drugs using earth-abundant metals like iron, cobalt, and nickel instead of rare precious metals. The research aims to identify viable catalytic...
This NSF-funded project grant, awarded by the Division of Chemistry under the Mathematical and Physical Sciences Federal Grant Program (CFDA 47.049), supports a collaborative research project between Professor Keary Engle of Scripps Research Institute and Professor Peng Liu of the University of Pittsburgh. The project aims to develop new chemical reactions that streamline the production of valuable compounds, including medicinally relevant molecules, agrochemicals, and functional materials....
Under a $293,308 Project Grant awarded by the National Science Foundation (NSF) Division of Chemistry through the Mathematical and Physical Sciences program (CFDA 47.049), Purdue University is conducting research to develop new chiral catalysts for enantioselective photoredox-catalyzed carbon-carbon bond-forming reactions. The project aims to design efficient photochemical reactions to synthesize specific enantiomers of chiral organic molecules, which have important applications in...
The National Science Foundation (NSF), through its Mathematical and Physical Sciences (CFDA #47.049) program, awarded a $649,863 Project Grant to The Ohio State University to study the fundamental design of new, more sustainable catalysts for carbon-element bond-forming reactions. The project, led by Professor Christine Thomas, aims to explore ligand design principles to promote the use of earth-abundant metals like iron and cobalt in catalytic transformations. Key activities include...
Under a $529,170 award from the National Science Foundation's (NSF) Mathematical and Physical Sciences (MPS) program (CFDA 47.049), Professor Robert Paton and his research team at Colorado State University (CSU) will develop new computational workflows to accelerate the discovery and optimization of highly selective catalysts. The project aims to advance mechanistic understanding and establish new quantitative descriptors for three key catalyst and ligand classes - hydrogen-bond donors,...
The National Science Foundation (NSF) awarded Purdue University a $575,000 Project Grant under the Mathematical and Physical Sciences (CFDA 47.049) federal grant program. The grant supports Professor Christopher Uyeda's research on developing multi-metallic catalysts to improve the efficiency and sustainability of chemical processes used in medicine, agriculture, and polymer chemistry. Key activities include designing new ligands that can bind multiple metals to create more active and...
The University of California, San Diego will develop new classes of solid, tunable catalytic materials for important chemical transformations under a $525,000 National Science Foundation project grant in the Mathematical and Physical Sciences program (CFDA 47.049). Professor Seth Cohen and his research team will create metal-organic frameworks using phosphorus-derived ligands linked to palladium, rhodium, and iridium metal centers. They will modify these materials to promote cross-coupling and...
The National Science Foundation (NSF) awarded a $725,000 Project Grant under the Mathematical and Physical Sciences (CFDA 47.049) program to the University of Pittsburgh to develop a predictive model for the catalyst-controlled asymmetric Rh(I)-catalyzed Pauson-Khand reaction. Led by Professor Kay M. Brummond, this 3-year project will leverage expertise and resources from the University of Pittsburgh and Merck, Inc. to uncover key mechanistic insights and create a quantitative model for predicting the enantioselectivity and yield of this important organic synthesis reaction. The project aims to enable the synthesis of new chemical matter, including chiral non-racemic cyclopentenones, with potential applications in pharmaceuticals, agrochemicals, organic materials, and natural product synthesis. The predictive model developed through this award is expected to serve as a foundation for mechanism-driven modeling of other transition metal-catalyzed asymmetric reactions, advancing the design and synthesis of complex molecular targets.