Aaron Bosse wins ARCS Award

Aaron Bosse (Davies Lab) has recently been named an ARCS Award recipient. The award is given by the ARCS foundation to celebrate the exceptional promise of the nominee to make a significant contribution to the advancement of Science.

While earning his B.A. in chemistry at The College of the Holy Cross, he completed two years of research in the lab of Prof. Andre Isaacs. His research focused on developing novel methodologies using click chemistry and resulted in a first author publication in Synlett. Now, Aaron is serving as lead researcher on C–H functionalization methodology applied to total synthesis in the Davies lab, collaborating with multiple groups in the CCHF.  Before winning the ARCS award, he has received numerous other recognitions including the ACS DOC Outstanding Undergraduate award, Quayle New student award, Quayle Student Achievement award, and NSF GRFP Honorable mention. Outside of lab, Aaron loves spending time in nature, visiting craft breweries, and relaxing with his dog and cat.

Congratulations, Aaron!

July Research Round-Up

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

 

Bowman Group

Havenith-Newen, M., Schwan, R., Qu, C., Mani, D., Pal, N., Schwaab, G., … & Bowman, J. Observation of the low frequency spectrum of water dimer as a sensitive test of the water dimer potential and dipole moment surfacesAngewandte Chemie.

Conticello Group

Hughes, S. A., Wang, F., Wang, S., Kreutzberger, M. A., Osinski, T., Orlova, A., … & Conticello, V. P. (2019). Ambidextrous helical nanotubes from self-assembly of designed helical hairpin motifs. Proceedings of the National Academy of Sciences116(29), 14456-14464.

Merg, A., Touponse, G., van Genderen, E., Zuo, X., Bazrafshan, A., Blum, T., … & Conticello, V. P. (2019). 2D Crystal Engineering of Nanosheets Assembled from Helical Peptide Building BlocksAngewandte Chemie.

Davies Group

Fu, J., Wurzer, N., Lehner, V., Reiser, O., & Davies, H. M. (2019). Rh (II)-Catalyzed Monocyclopropanation of Pyrroles and Its Application to the Synthesis Pharmaceutically Relevant CompoundsOrganic Letters.

Heaven Group

VanGundy, R. A., Persinger, T. D., & Heaven, M. C. (2019). Improved vibrational constants for BaCl+ X1Σ+. Journal of Molecular Spectroscopy, 111176.

Sun, P., Zuo, D., Mikheyev, P. A., Han, J., & Heaven, M. C. (2019). Time-dependent simulations of a CW pumped, pulsed DC discharge Ar metastable laser system. Optics Express27(16), 22289-22301.

Hill Group

Kaledin, A. L., Muthukumar, K., Hill, C. L., & Musaev, D. G. (2019). Effects of Surface Hydration on the Electron Injection Rate from Graphene to Anatase and Rutile TiO2 SurfacesChemical Physics, 110463.

Lynn Group

Grover, M. A., Hsieh, M. C., & Lynn, D. G. (2019). Systems Analysis for Peptide Systems ChemistryLife9(3), 55.

Musaev Group

Kaledin, A. L., Muthukumar, K., Hill, C. L., & Musaev, D. G. (2019). Effects of Surface Hydration on the Electron Injection Rate from Graphene to Anatase and Rutile TiO2 SurfacesChemical Physics, 110463.

Salaita Group

Salaita, K., Wongtrakool, C., & Galior, K. (2019). S. Patent Application No. 16/304,549.

Merg, A., Touponse, G., van Genderen, E., Zuo, X., Bazrafshan, A., Blum, T., … & Conticello, V. P. (2019). 2D Crystal Engineering of Nanosheets Assembled from Helical Peptide Building BlocksAngewandte Chemie.

Salaita, K. S., Schumacher, C., & Stabley, D. R. (2014). S. Patent Application No. 14/347,095.

Wuest Group

Solinski, A. E., Scharnow, A. M., Fraboni, A. J., & Wuest, W. M. (2019). Synthetic Simplification of Carolacton Enables Chemical Genetic Studies in Streptococcus mutansACS Infectious Diseases.

Korobeynikov, V., Borakove, M., Feng, Y., Wuest, W. M., Koval, A. B., Nikonova, A. S., … & Shagisultanova, E. (2019). Combined inhibition of Aurora A and p21-activated kinase 1 as a new treatment strategy in breast cancerBreast cancer research and treatment, 1-14.

Cheng, A. V., Kim, W., Escobar, I. E., Mylonakis, E., & Wuest, W. M. (2019). Structure–Activity Relationship and Anticancer Profile of Second-Generation Anti-MRSA Synthetic RetinoidsACS Medicinal Chemistry Letters.

Morrison, K. R., Allen, R. A., Minbiole, K. P., & Wuest, W. M. (2019). More QACs, more questions: recent advances in structure activity relationships and hurdles in understanding resistance mechanismsTetrahedron Letters.

June Research Round-Up

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

Bowman Group

Stancil, Phillip C., et al. “Rovibrational excitational of diatomic molecules due to H2 collisions: Waiting for Webb.” American Astronomical Society Meeting Abstracts. Vol. 234. 2019.

Davies Group

Garlets, Zachary J., et al. “Regio-and Stereoselective Rhodium (II)-Catalyzed C–H Functionalization of Organosilanes by Donor/Acceptor Carbenes Derived from Aryldiazoacetates.” Organic letters(2019).

Heemstra Group

Heemstra, Jennifer. “Self‐care is not the enemy of performance.” ChemBioChem(2019).

Hill Group

Stancil, Phillip C., et al. “Rovibrational excitational of diatomic molecules due to H2 collisions: Waiting for Webb.” American Astronomical Society Meeting Abstracts. Vol. 234. 2019.

Lian Group

Huang, Zhiyuan, et al. “Enhanced near-infrared-to-visible upconversion by synthetic control of PbS nanocrystal triplet photosensitizers.” Journal of the American Chemical Society(2019).

Salaita Group

Salaita, Khalid, Jessica Petree, and Kevin Yehl. “Particles Coated With Catalysts Useful for Splicing Nucleic Acids.” U.S. Patent Application No. 16/180,786.

Wuest Group

Wuest, William M. “Novel Promysalin Analogues and Methods of Use Thereof.” U.S. Patent Application No. 16/091,685.

 

 

May Research Round-Up

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

Blakey Group

Burman, J., Harris, R., Farr, C., Bacsa, J., & Blakey, S. B. (2019). Rh (III) and Ir (III) Cp* Complexes Provide Complementary Regioselectivity Profiles in Intermolecular Allylic CH Amidation ReactionsACS Catalysis.

Davies Group

Davies, H. M., & Liao, K. (2019). Dirhodium tetracarboxylates as catalysts for selective intermolecular C–H functionalizationNature Reviews Chemistry, 1.

Heaven Group

Schmitz, J. R., Kaledin, L. A., & Heaven, M. C. (2019). Laser induced fluorescence spectroscopy of jet-cooled ThOJournal of Molecular Spectroscopy.

Hill Group

Wang, X., Tao, M., Li, Y., Zhang, X., Li, Z., & Hill, C. L. (2019). A Polyoxometalate‐Based Microfluidic Device for Liquid Phase Oxidation of GlycerolChemSusChem.

Ke Group

Zhang, Y., Pan, V., Li, X., Yang, X., Li, H., Wang, P., & Ke, Y. (2019). Dynamic DNA StructuresSmall, 1900228.

Zhang, Y., Peng, R., Xu, F., & Ke, Y. (2019). Hierarchical Self-Assembly of Cholesterol-DNA NanorodsBioconjugate chemistry.

Lian Group

Ge, A., Rudshteyn, B., Videla, P. E., Miller, C. J., Kubiak, C. P., Batista, V. S., & Lian, T. (2019). Heterogenized Molecular Catalysts: Vibrational Sum-Frequency Spectroscopic, Electrochemical, and Theoretical InvestigationsAccounts of chemical research.

Salaita Group

Ma, V. P. Y., & Salaita, K. (2019). DNA Nanotechnology as an Emerging Tool to Study Mechanotransduction in Living SystemsSmall, 1900961.

March 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. (2019). Using Gradients in Permutationally Invariant Polynomial Potential fitting: A Demonstration for CH4 Using as Few as 100 ConfigurationsJournal of chemical theory and computation.

Davies Group

Davies, H.M.L., Chennamadhavuni, S., Martin, T.J., Childers, S.R. (2019). U.S. Patent Application No. 15 /145,323

Evangelista Group

Li, C., & Evangelista, F. A. (2019). Multireference Theories of Electron Correlation Based on the Driven Similarity Renormalization GroupAnnual review of physical chemistry70.

Hill Group

Kaledin, A. L., Hill, C. L., Lian, T., & Musaev, D. G. (2019). Modulating electronic coupling at the quantum dot/molecule interface by wavefunction engineeringThe Journal of Chemical Physics150(12), 124704.

Lian Group

Li, Q., Liu, Q., Schaller, R. D., & Lian, T. (2019). Reducing Optical Gain Threshold in Two-Dimensional CdSe Nanoplatelets by Giant Oscillator Strength Transition EffectThe journal of physical chemistry letters.

Kaledin, A. L., Hill, C. L., Lian, T., & Musaev, D. G. (2019). Modulating electronic coupling at the quantum dot/molecule interface by wavefunction engineeringThe Journal of Chemical Physics150(12), 124704.

Lynn Group

Taran, O., Patel, V., & Lynn, D. (2019). Small Molecules Reaction Network That Models ROS Dynamic of the RhizosphereChemical Communications.

Musaev Group

Kaledin, A. L., Hill, C. L., Lian, T., & Musaev, D. G. (2019). Modulating electronic coupling at the quantum dot/molecule interface by wavefunction engineeringThe Journal of Chemical Physics150(12), 124704.

Salaita Group

Sylber, C., Petree, J., Baker, N., Salaita, K., & Wongtrakool, C. (2019). 3582 Scavenger Receptor Expression is Differentially Affected by DNAzyme-Gold Nanoparticle ConjugatesJournal of Clinical and Translational Science3(s1), 20-21.

Wuest Group

Scharnow, A. M., Solinski, A. E., & Wuest, W. M. (2019). Targeting S. mutans biofilms: a perspective on preventing dental cariesMedChemComm.

Post, S., Shapiro, J., & Wuest, W. (2019). Connecting iron acquisition and biofilm formation in the ESKAPE pathogens as a strategy for combatting antibiotic resistanceMedChemComm.

January Research Round-Up

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

Bowman Group

Yu, Q., & Bowman, J. M. (2019). Classical, Thermostatted Ring Polymer, and Quantum VSCF/VCI Calculations of IR Spectra of H7O3+ and H9O4+ (Eigen) and Comparison With ExperimentThe Journal of Physical Chemistry A.

Davies Group

Wilkerson‐Hill, S. M., & Davies, H. M. (2018). Rhodium (II) Tetracarboxylate‐Catalyzed Enantioselective C–H Functionalization ReactionsRhodium Catalysis in Organic Synthesis: Methods and Reactions.

Heaven Group

Han, J., Sanderson, C. R., Hokr, B., Ballmann, C. W., Clark, A. B., & Heaven, M. C. (2019, January). Optically pumped rare gas lasers. In XXII International Symposium on High Power Laser Systems and Applications(Vol. 11042, p. 1104202). International Society for Optics and Photonics.

Mikheyev, P. A., Han, J., & Heaven, M. C. (2019, January). Lasing in optically pumped Ar: He mixture excited in a dielectric barrier discharge. In XXII International Symposium on High Power Laser Systems and Applications(Vol. 11042, p. 1104206). International Society for Optics and Photonics.

Heemstra Group

Heemstra, J., Jahnke, F., & Peterson, A. (2018). S. Patent Application No. 15/739,828.

Knutson, S. D., & Heemstra, J. M. (2019). Selective enrichment of A-to-I edited transcripts from cellular RNA using Endonuclease VbioRxiv, 522029.

Kindt Group

Guo, Z., Wu, P., & Kindt, J. T. (2019). Ordering of colloidal hard spheres under gravity: From monolayer to multilayerSoft matter.

Lama, N., Weeks, E., Dong, Y., Wu, P., & Kindt, J. (2019). Crystals and Liquids in Monolayers of Heavy particlesBulletin of the American Physical Society.

Lian Group

Li, Q., & Lian, T. (2019). Ultrafast Charge Separation in Two-Dimensional CsPbBr3 Perovskite NanoplateletsThe journal of physical chemistry letters.

Looking Back on 2018

Happy New Year! As we enter 2019, a new year of innovation and achievement, let’s take some time to appreciate some of the wonderful things that took place in the Department of Chemistry during 2018.

Research from the Davies Lab Featured in Emory News

Research from the Davies Lab has recently been featured by Emory News in an article titled “Chemical Catalyst Turns ‘Trash’ to ‘Treasure'”. The article highlights the lab’s most recent catalyst discovery, their Nature publication, their scientific mission, and their involvement with the CCHF. The article even includes videos and clips of some of the fascinating science taking place between the walls of the Davies Lab.

From the article:

“Each of the catalysts are unprecedented, achieving a different kind of selectivity than has been seen before,” Davies says. “We’re developing a toolkit of new catalysts and reagents that will do selective C-H functionalization at different sites on different molecules.”

“We’ve achieved exquisite catalyst control that is beyond what people thought would be possible even two or three years ago,” Davies says. “It’s incredible what my students have been able to achieve.”

Click [here] to read the full article!

December Research Round-Up

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

Bowman Group

Babikov, D., Benoit, D., Bowman, J., Burd, T., Clary, D., Donovan, R., … & Kirrander, A. (2018). Quantum dynamics of isolated molecules: general discussionFaraday discussions.

Ban, L., Bowman, J., Bradforth, S., Chambaud, G., Dracinsky, M., Fischer, I., … & McCoy, A. B. (2018). Molecules in confinement in liquid solvents: general discussionFaraday discussions.

Qu, C., & Bowman, J. M. (2018). Assessing the Importance of the H2 (H2O) 2 3-Body Interaction on the Vibrational Frequency Shift of H2 in the sII Clathrate Hydrate and Comparison with ExperimentThe Journal of Physical Chemistry A.

Davies Group

Fu, J., Ren, Z., Bacsa, J., Musaev, D. G., & Davies, H. M. (2018). Desymmetrization of cyclohexanes by site-and stereoselective C–H functionalizationNature564(7736), 395.

Dyer Group

Zhao, J., Su, H., Vansuch, G. E., Liu, Z., Salaita, K., & Dyer, R. B. (2018). Localized Nanoscale Heating Leads to Ultrafast Hydrogel Volume-Phase TransitionACS nano.

Heaven Group

Kaledin, L. A., Kaledin, A. L., & Heaven, M. C. (2019). The electronic structure of thorium monoxide: Ligand field assignment of states in the range 0–5 eVJournal of computational chemistry40(2), 430-446.

Kindt Group

Zhang, X., Arce, J. G., & Kindt, J. T. (2018). Derivation of micelle size-dependent free energies of aggregation for octyl phosphocholine from molecular dynamics simulationFluid Phase Equilibria.

Lynn Group

McGill, T. L., Williams, L. C., Mulford, D. R., Blakey, S. B., Harris, R. J., Kindt, J. T., … & Powell, N. L. (2018). Chemistry Unbound: Designing a New Four-Year Undergraduate CurriculumJournal of Chemical Education.

Musaev Group

Fu, J., Ren, Z., Bacsa, J., Musaev, D. G., & Davies, H. M. (2018). Desymmetrization of cyclohexanes by site-and stereoselective C–H functionalizationNature564(7736), 395.

Salaita Group

Zhao, J., Su, H., Vansuch, G. E., Liu, Z., Salaita, K., & Dyer, R. B. (2018). Localized Nanoscale Heating Leads to Ultrafast Hydrogel Volume-Phase TransitionACS nano.

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.