NOBCChE Outreach at Marietta High School Science Night

On Thursday, November 1st, the National Organization for the Professional Advancement of Black Chemists and Chemical Engineers (NOBCChE) at Emory University attended Marietta High School for their annual Science Night. The event, featuring classroom demos and science fair projects, welcomed volunteers from local universities to share about their STEM opportunities.

The Emory NOBCChE representatives who attended the event spent the evening handing out flyers and engaging with enthusiastic students and parents over some particularly exciting carbon dioxide chemistry. With do-it-yourself lava lamps and bouncing soap bubbles, guests were both entertained and inspired to learn more.

October Research Round-Up

Congratulations to our amazing research teams here in the Department of Chemistry for their publications this month!

Bowman Group:

Nandi, A., Qu, C., & Bowman, J. M. (2018). Diffusion Monte Carlo Calculations of Zero‐Point Energies of Methanol and Deuterated Methanol. Journal of computational chemistry.

Davies Group:

Davies, H. M., Itami, K., & Stoltz, B. M. (2018). New directions in natural product synthesisChemical Society Reviews.

Evangelista Group:

Huang, Y., Xu, Z., Jin, S., Li, C., Warncke, K., Evangelista, F. A., … & Egap, E. (2018). Conjugated Oligomers with Stable Radical Substituents: Synthesis, Single Crystal Structures, Electronic Structure and Excited State DynamicsChemistry of Materials.

Heaven Group

Torbin, A., Pershin, A., Zagidullin, M., Heaven, M., Mebel, A., & Azyazov, V. (2018). Ozone recovery in the presence of CO and N2O. In MATEC Web of Conferences(Vol. 209, p. 00016). EDP Sciences.

Tolstov, G. I., Zagidullin, M. V., Khvatov, N. A., Medvedkov, I. A., Mebel, A. M., Heaven, M. C., & Azyazov, V. N. (2018). Measurements of rate constants of O2 (b) quenching by CH4, NO, N2O at temperatures 300-800 K. In MATEC Web of Conferences(Vol. 209, p. 00006). EDP Sciences.

Heaven, M. C. (2018, October). Optically pumped rare gas lasers (Conference Presentation). In High-Power Lasers: Technology and Systems, Platforms, and Effects II(Vol. 10798, p. 1079806). International Society for Optics and Photonics.

Heemstra Group

Wilson, C. J., Bommarius, A. S., Champion, J. A., Chernoff, Y. O., Lynn, D. G., Paravastu, A. K., … & Heemstra, J. M. (2018). Biomolecular Assemblies: Moving from Observation to Predictive DesignChemical reviews.

Morris, F. D., Peterson, E. M., Heemstra, J. M., & Harris, J. M. (2018). Single-Molecule Kinetic Investigation of Cocaine-Dependent Split-Aptamer AssemblyAnalytical chemistry.

Hill Group

Kaledin, A. L., Hill, C. L., Lian, T., & Musaev, D. G. (2018). A bulk adjusted linear combination of atomic orbitals (BA‐LCAO) approach for nanoparticlesJournal of computational chemistry.

Ke Group

Wang, P., & Ke, Y. (2018). Attack on the Cell Membrane: The Pointy Ends of DNA Nanostructures Lead the Way.

Wang, D., Song, J., Wang, P., Pan, V., Zhang, Y., Cui, D., & Ke, Y. (2018). Design and operation of reconfigurable two-dimensional DNA molecular arraysNature protocols, 1.

Kindt Group

Patel, L. A., & Kindt, J. T. (2018). Simulations of NaCl Aggregation from Solution: Solvent Determines Topography of Free Energy LandscapeJournal of computational chemistry.

Guo, Z., & Kindt, J. T. (2018). Partitioning of Size-mismatched Impurities to Grain Boundaries in 2-d Solid Hard Sphere MonolayersLangmuir.

Lian Group

Kaledin, A. L., Hill, C. L., Lian, T., & Musaev, D. G. (2018). A bulk adjusted linear combination of atomic orbitals (BA‐LCAO) approach for nanoparticlesJournal of computational chemistry.

Huang, Y., Xu, Z., Jin, S., Li, C., Warncke, K., Evangelista, F. A., … & Egap, E. (2018). Conjugated Oligomers with Stable Radical Substituents: Synthesis, Single Crystal Structures, Electronic Structure and Excited State DynamicsChemistry of Materials.

Lynn Group

Wilson, C. J., Bommarius, A. S., Champion, J. A., Chernoff, Y. O., Lynn, D. G., Paravastu, A. K., … & Heemstra, J. M. (2018). Biomolecular Assemblies: Moving from Observation to Predictive DesignChemical reviews.

Musaev Group

Kaledin, A. L., Hill, C. L., Lian, T., & Musaev, D. G. (2018). A bulk adjusted linear combination of atomic orbitals (BA‐LCAO) approach for nanoparticles. Journal of computational chemistry.

Haines, B. E., Nelson, B. M., Grandner, J. M., Kim, J., Houk, K. N., Movassaghi, M., & Musaev, D. G. (2018). Mechanism of Permanganate-Promoted Dihydroxylation of Complex Diketopiperazines: Critical Roles of Counter-cation and Ion-PairingJournal of the American Chemical Society.

Wuest Group

Ernouf, G., Wilt, I., Zahim, S., & Wuest, W. M. (2018). Epoxy isonitriles, a unique class of antibiotics–Synthesis of their metabolites and biological investigationsChemBioChem.

 

ChEmory Wins ACS Green Chemistry Student Chapter Award

ChEmory, our undergraduate ACS club, has won a Green Chemistry Student Chapter Award! This award recognizes student chapters that participate in three or more green chemistry outreach or educational activities throughout the year.

Photo from Ashley Diaz, ChEmory President

Firstly, ChEmory hosted a liquid nitrogen ice cream booth at the Student Activities Fair. While teaching visitors about the crystallization process of ice cream and recruiting new members to join the club, they made ice cream in reusable bowls and handed out samples in compostable cups. At the Fernbank Museum, ChEmory took their gastronomy a step further, making edible whiskey droplets. The only waste generated from the making of the whiskey droplets were the droppers themselves, which were disposable and recyclable.

Photo from Ashley Diaz, ChEmory President

At the Atlanta Science Festival, the group made slime from borax and polyvinyl alcohol. Because the slime was made with nontoxic and widely-available reagents, ChEmory members took the opportunity to teach about the concept of biodegradable, low-waste chemistry. Finally, in collaboration with the Artisan guild, club members used biodegradable, all-natural materials to make their own soap. By designing degradable products and utilizing renewable source materials, participants left the event with both a better understanding of green chemistry and a handmade bar of soap to use at home!

Congratulations, ChEmory!!

Interested in learning more? Check out ChEmory on Facebook!

 

2018 STEM Research and Career Symposium Recap

The 2018 STEM Research and Career Symposium, organized by the Laney Graduate School, took place earlier this week.  Faculty and students from diverse backgrounds were invited to present their research, engage in networking opportunities, and get to know Emory’s graduate program. Attendees shared ideas and STEM experiences during oral presentations, breakout meetings, poster sessions, and meals. The Keynote speaker at the event was Dr. Jose Antonio Bowen, President of Goucher College and author of Teaching Naked: How Moving Technology Out of Your College Classroom Will Improve Student Learning. In an entertaining and humor-filled presentation, he discussed the biology of learning, tips to success, and more.

Davies group members Robert Kubiak and Yannick Boni presenting the CCHF poster.

Dr. James Kindt served as a Co-Organizer for the event alongside Dr. Eddie Morgan from the Department of Pharmacology. Several graduate students in the Department of Chemistry were spotted at the symposium mingling with visiting undergraduate students and sharing their amazing research. The event even featured a poster highlighting all that the Center for Selective C-H Functionalization (CCHF) has to offer.

Thank you to everyone who attended and represented the Department of Chemistry!

Photo from @Wuestlab on Twitter.

Francesco Evangelista Receives Grant for Quantum Information Science Research

The U.S Department of Energy (DOE) recently announced $218M in funding for research in the emerging field of Quantum Information Science.

Francesco Evangelista, recipient of the 2017 Dirac Medal and the 2018 Camille Dreyfus Teacher-Scholar Award, is the lead PI for $3.9M of this funding for his research on “Quantum Chemistry for Quantum Computers.” The award is the first that Emory has received to study quantum computing.

The Quantum Information Science program seeks to lay the foundation for future innovation in the realm of computing and information processing. The awards, made in conjunction with the White House Summit on Advancing American Leadership in Quantum Information Science, are led by scientists at 28 higher learning institutes and 9 DOE national laboratories. Research funded by the awards will span a range of topics from the new generation of quantum computers to using quantum computing for understanding cosmic phenomena.

The abstract for Dr. Evangelista’s “Quantum Chemistry for Quantum Computers” appears below:

“Over the past fifty years, quantum chemistry has had a transformative impact on chemistry and materials science by enabling the computational prediction of properties and reactivity of molecules and materials. Two factors have made this success possible: the development of efficient theories of electronic structure and the steady growth of computing power. Nevertheless, quantum chemistry methods are currently unable to tackle strongly correlated molecules and materials, owing to the exponential complexity of the fundamental physics of these systems. Quantum computers manipulate information using quantum mechanical principles and offer a solution to this problem. With the rapid development of quantum computing hardware and algorithms, there is a realistic expectation that quantum computers will outperform their classical counterparts within the next decade. However, the first generation of quantum computers is unlikely to have a transformative impact on chemistry and materials science unless their power is leveraged by combining them with new algorithms specifically designed to take advantage of quantum hardware. The objective of this research is to create the next generation of quantum chemistry methods for strongly correlated molecules and solids that will run on the first generation of quantum computers. This research will also develop standard benchmarks for testing the accuracy and computing power of new quantum hardware and will validate prototypes of quantum computers in collaborations with industry partners. More generally, this project paves the way to applications of quantum computers to study challenging strongly correlated systems critical to the mission of the DOE such as transition metal catalysts, high-temperature superconductors, and novel materials that are beyond the realm of classical simulation.”

Congratulations, Dr. Evangelista!

Check out the video to learn more about the amazing research happening in the Evangelista lab!

2018 Padwa Lecture: Dr. Guangbin Dong

On Wednesday, September 19th, Dr. Guangbin Dong joined us from the University of Chicago for the 2018 Padwa Lecture. This lecture, “Site-Selective C—C and C—H Functionalization of Ketones”, was made possible by the generous support from Emeritus Professor Al Padwa. The lecture highlighted important discoveries in the field of C—C and C—H Functionalization, including a regioselective ketone α-alkylation reaction using simple olefins and an approach for catalytic C-C bond activation of cyclopentanones and some cyclohexanones.

This lecture was hosted by Dr. Simon Blakey and the Center for Selective C—H Functionalization.

Dennis Liotta Receives Honorary Doctorate from the University of Ottawa

Congratulations to Dr. Dennis Liotta for receiving an honorary Doctor of Science degree from the University of Ottawa. Honorary doctorate degrees acknowledge the value of the abilities and experiences of the recipient and are awarded for significant contributions made by the recipient to the University of Ottawa, their profession, or society. Upon receiving the honorary degree, Dr. Dennis Liotta delivered a speech to the graduating class of the University.

“We can’t afford to sit and wait for others to change the world — we have to do it ourselves. The good news is that we all have the capacity to make the world a better place. All that is required is that we be proactive and persistent on an issue or cause that we’re passionate about. So, this is my challenge to all of you here today. Examine your own lives, identify a problem compatible with your skills and pursue it. If it’s something you’re passionate about and you’re willing to persevere, I guarantee you that you’ll find a way of doing it well. Remember, however, that this is marathon, not a sprint. So, don’t ever lose sight of your goals and your dreams.”

Click [here] to read the whole speech.

Congratulations, Dr. Liotta!

Huw Davies to Receive the Herbert C. Brown Award for Creative Research in Synthetic Methods

Congratulations to Dr. Huw Davies for being named the recipient of the Herbert C. Brown Award for Creative Research in Synthetic Methods given by the American Chemical Society for 2019. This award recognizes  outstanding and creative research involved in the discovery and development of novel and useful methods for chemical synthesis.

National award winners will be honored at a ceremony in conjunction with the 257th ACS National Meeting on Tuesday, April 2nd, 2019 in Orlando, Florida.

Congratulations, Dr. Davies!

2018 Atlanta Mini Symposium on Theoretical and Computational Chemistry

On Saturday, September 8th, the Emory University Department of Chemistry teamed up with Georgia Tech to host the 2018 Atlanta Mini Symposium on Theoretical and Computational Chemistry. The event, organized by Francesco Evangelista (Emory) and David Sherrill (Georgia Tech) brought together theoretical and computational chemists across metro-Atlanta for connection and collaboration. Attendees heard talks from invited speakers and spent the afternoon sharing ideas with fellow chemists in the field. The group plans to make the conference an annual event for the local theoretical chemistry community.

Tianquan (Tim) Lian Named New Editor-in-Chief of the Journal of Chemical Physics

Dr. Tianquan (Tim) Lian pictured with current JCP Editor-in-Chief, Marsha Lester. Photo: @AIP_Publishing

Beginning in January 2019, Tianquan (Tim) Lian will take over the role of Editor-in-Chief for the Journal of Chemical Physics, a flagship journal of the American Institute of Physics (AIP). The highly cited, peer-reviewed archival journals of AIP help to lay the foundation for the field of physics. Currently, Dr. Lian serves as Co-Editor-in-Chief of Chemical Physics and is a member of the Advisory Editorial Boards for Chemical Physics Letters and Spectrochimica Acta A.

Congratulations, Dr. Lian!