August Research Round-Up

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

 

Blakey Group

 

Bowman Group

 

Brathwaite Group

 

Dyer Group

 

Evangelista Group

 

Kindt Group

 

Lian Group

 

Salaita Group

 

Wuest Group

 

 

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.

February Research Round-Up

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

Conticello Group

Kreutzberger, M. A., Hughes, S., Conticello, V., & Egelman, E. H. (2019). Structural Studies of the T-and RP4-Pili using Cryo-EMBiophysical Journal116(3), 573a.

Dunham Group

Mehrani, A., Hoffer, E. D., Goralski, T. D., Keiler, K. C., Dunham, C. M., & Stagg, S. (2019). Investigating the Structural Mechanism of the Stalled Bacterial Ribosome Bound to a Drug that Targets Trans-TranslationBiophysical Journal116(3), 573a-574a.

Nguyen, H. A., Hoffer, E. D., & Dunham, C. M. (2019). Importance of tRNA anticodon loop modification and a conserved, noncanonical anticodon stem pairing in tRNAProCGG for decodingJournal of Biological Chemistry, jbc-RA119.

Schureck, M. A., Meisner, J., Hoffer, E. D., Wang, D., Onuoha, N., Ei Cho, S., … & Dunham, C. M. (2019). Structural basis of transcriptional regulation by the HigA antitoxinMolecular microbiology.

Heaven Group

Khvatov, N. A., Zagidullin, M. V., Tolstov, G. I., Medvedkov, I. A., Mebel, A. M., Heaven, M. C., & Azyazov, V. N. (2019). Product Channels of the reactions of O2 (b1Σg+)Chemical Physics.

Hill Group

Hill, C., & Sullivan, K. (2019). U.S. Patent Application No. 16/061,327.

Lian Group

Lian, T., Koper, M. T., Reuter, K., & Subotnik, J. E. (2019). Special Topic on Interfacial Electrochemistry and Photo (electro) catalysis.

Musaev Group

Gair, J., Haines, B. E., Filatov, A. S., Musaev, D. G., & Lewis, J. C. (2019). Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid Accelerated Enantioselective CH Functionalization.

Salaita Group

Brockman, J. M., & Salaita, K. (2019). Mechanical Proofreading: A General Mechanism to Enhance the Fidelity of Information Transfer Between Cells Phys. 7: 14. doi: 10.3389/fphy.

Blanchard, A., & Salaita, K. (2019). Autochemophoretic DNA Motors Generate 100+ Piconewton ForcesBiophysical Journal116(3), 292a-293a.

Rao, T. C., Ma, V. P. Y., Urner, T. M., Grandhi, S., Salaita, K., & Mattheyses, A. L. (2019). EGFR Activation Enables Increased Integrin Forces and Organization of Mature Focal AdhesionsBiophysical Journal116(3), 413a.

Quach, M. E., Combs, D., Salaita, K., & Li, R. (2019). Force-Induced Unfolding of a Mechanosensory Domain in Platelet Glycoprotein (Gp) Ib-IX under Solution and Adherent ConditionsBiophysical Journal116(3), 376a.

Weinert Group

Cary, S. P., Boon, E. M., Weinert, E., Winger, J. A., & Marletta, M. A. (2019). U.S. Patent Application No. 10/202,428.

 

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.

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.

November Research Round-Up

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

Bowman Group:

Chen, Q., & Bowman, J. M. (2018). Quantum approaches to vibrational dynamics and spectroscopy: is ease of interpretation sacrificed as rigor increases?Physical Chemistry Chemical Physics.

Yang, B., Zhang, P., Chen, Q., Stancil, P., Bowman, J. M., Naduvalath, B., & Forrey, R. C. (2018). Inelastic Vibrational Dynamics of CS in Collision with H2 Using a Full-dimensional Potential Energy SurfacePhysical Chemistry Chemical Physics.

Dunham Group:

Hong, S., Sunita, S., Maehigashi, T., Hoffer, E. D., Dunkle, J. A., & Dunham, C. M. (2018). Mechanism of tRNA-mediated+ 1 ribosomal frameshiftingProceedings of the National Academy of Sciences115(44), 11226-11231.

Rivera, S., Young, P. G., Hoffer, E. D., Vansuch, G. E., Metzler, C. L., Dunham, C. M., & Weinert, E. E. (2018). Structural Insights into Oxygen-Dependent Signal Transduction within Globin Coupled SensorsInorganic chemistry.

Hoffer, E. D., Maehigashi, T., Fredrick, K., & Dunham, C. M. (2018). Ribosomal ambiguity (ram) mutations promote the open (off) to closed (on) transition and thereby increase miscodingNucleic Acids Research.

Hill Group:

Sullivan, K. P., Wieliczko, M., Kim, M., Yin, Q., Collins-Wildman, D. L., Mehta, A. K., … & Hill, C. L. (2018). Speciation and Dynamics in the [Co4V2W18O68] 10-/Co (II) aq/CoOx Catalytic Water Oxidation SystemACS Catalysis.

Kaledin, A. L., Troya, D., Karwacki, C. J., Balboa, A., Gordon, W. O., Morris, J. R., … & Musaev, D. G. (2018). Key Mechanistic Details of Paraoxon Decomposition by Polyoxometalates: Critical Role of Para-Nitro SubstitutionChemical Physics.

Lian Group:

Clark, M. L., Ge, A., Videla, P. E., Rudshteyn, B., Miller, C. J., Song, J., … & Kubiak, C. P. (2018). CO2 Reduction Catalysts on Gold Electrode Surfaces Influenced by Large Electric FieldsJournal of the American Chemical Society.

Lutz Group:

Williams, E., Jung, S. M., Coffman, J. L., & Lutz, S. (2018). Pore engineering for enhanced mass transport in encapsulin nano-compartmentsACS synthetic biology.

Musaev Group:

Kaledin, A. L., Troya, D., Karwacki, C. J., Balboa, A., Gordon, W. O., Morris, J. R., … & Musaev, D. G. (2018). Key Mechanistic Details of Paraoxon Decomposition by Polyoxometalates: Critical Role of Para-Nitro Substitution. Chemical Physics.

Salaita Group:

Hong, J., Ge, C., Jothikumar, P., Yuan, Z., Liu, B., Bai, K., … & Palin, A. (2018). A TCR mechanotransduction signaling loop induces negative selection in the thymusNature Immunology, 1.

Weinert Group

Rivera, S., Young, P. G., Hoffer, E. D., Vansuch, G. E., Metzler, C. L., Dunham, C. M., & Weinert, E. E. (2018). Structural Insights into Oxygen-Dependent Signal Transduction within Globin Coupled SensorsInorganic chemistry.

Fontaine, B. M., Duggal, Y., & Weinert, E. E. (2018). Exploring the Links Between Nucleotide Signaling and Quorum Sensing Pathways in Regulating Bacterial VirulenceACS infectious diseases.

Wuest Group:

Kontos, R. C., Schallenhammer, S. A., Bentley, B. S., Morrison, K. R., Feliciano, J. A., Tasca, J. A., … & Minbiole, K. P. (2018). An Investigation Into Rigidity‐Activity Relationships in bisQAC Amphiphilic AntisepticsChemMedChem.

Shapiro, J. A., Varga, J. J., Parsonage, D., Walton, W., Redinbo, M. R., Ross, L. J., … & Goldberg, J. B. (2018). Identification of Specific and Non‐specific Inhibitors of Bacillus anthracis Type III Pantothenate Kinase (PanK)ChemMedChem.

Kilgore, M. B., Morrison, K. R., Wuest, W. M., & Chandler, J. D. (2018). Influence of pH on the reactions of heme peroxidase-derived oxidants with R19SFree Radical Biology and Medicine128, S101-S102.

Emory Chemistry Students Celebrate NSF GRFP Awards

Congratulations to Dayna Patterson (Weinert Group) and Kevin Hoang (EC 17′; Davies Group) for being awarded 2018 Graduate Research Fellowships from the National Science Foundation!

Congratulations also to Brendan Deal (Salaita Group) and Michael Hollerbach (Chemistry Graduate Program entering class of 2018) who received Honorable Mentions.

For the 2016 competition, NSF received over 12,000 applications and made 2,000 award offers.

The NSF Graduate Research Fellowship Program recognizes and supports outstanding graduate students in NSF-supported science, technology, engineering, and mathematics disciplines who are pursuing research-based Master’s and doctoral degrees at accredited United States institutions. As the oldest graduate fellowship of its kind, the GRFP has a long history of selecting recipients who achieve high levels of success in their future academic and professional careers.

Meet the Honorees

Dayna Patterson came to Emory from Houston Baptist University where she had the opportunity to engage in undergraduate research with the Welch Foundation and as an NSF REU participant at Baylor University. Her research in  the Weinert Group focuses on understanding how bacteria change their phenotypes in response to environmental signals. In January 2018, Dayna received the Carl Storm Underrepresented Minority Fellowship to attend the Gordon Research Conference on Metals in Biology and share her research. She has also shared her research with the Atlanta community through the Atlanta Science Festival. She is the current treasurer for Pi Alpha Chemical Society and an associate fellow with the NIH-funded Initiative to Maximize Student Development.

Kevin Hoang conducted undergraduate research in the Davies Group at Emory and graduated in 2017 with a B.S. in chemistry. He is now at Yale University in the Herzon Laboratory.

Brendan Deal is a second year Ph.D. candidate in the lab of Dr. Khalid Salaita. He completed his undergraduate studies at Davidson College just outside of Charlotte, North Carolina. Brendan’s research is focused on the development of DNA-nanoparticle conjugates with potential applications in the fields of medicine and biotechnology.

 

Michael Hollerbach will be joining Emory this summer after receiving a B.S. in Biochemistry from the College of Charleston in South Carolina.  He chose Emory after seeing all of the exciting research opportunities and looks forward to participating in upcoming research rotations, starting with a summer rotation in the McDonald Group.  His research interests are in Organic Chemistry with a focus on small molecule synthesis and methodology development.  Currently, he is teaching Honors Chemistry at a local high school and wrapping up his undergraduate research at the College of Charleston. At Emory, he looks forward to the opportunity to share his love of Chemistry as a TA and to participate in outreach in the Atlanta community.