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.

 

 

EBCC Featured in Emory News

The Emory Biotech Consulting Club, founded by members of the Wuest Lab and supported in part by Dennis Liotta, is featured in a recent Emory News report. The article includes quotes from Henry Zecca (Jui Group) and Bill Wuest.

Young Emory scientists wanted a taste of what biotech business careers might be like. So they visited the world’s largest poultry industry conference, and got advice from officials at the Food and Drug Administration – all within a couple months.

“I learned a ton about chickens – more than I thought possible. I’ve been explaining it all to my friends,” says Henry Zecca, a graduate student in the Department of Chemistry.

Zecca’s experience and others emerged at a “Gala” Tuesday evening showcasing the Emory Biotech Consulting Club, which aimed to pair student advisory teams with fledgling startup companies emerging from university research.

The full article is available online from the Emory Report.

April Research Round-Up

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

Bowman Group

Qu, C., & Bowman, J. M. (2019). A fragmented, permutationally invariant polynomial approach for potential energy surfaces of large molecules: Application to N-methyl acetamideThe Journal of chemical physics150(14), 141101.

Yang, B., Zhang, P., Qu, C., Stancil, P., Bowman, J., Balakrishnan, N., & Forrey, R. (2019). Full-dimensional quantum rovibrational scattering of SO with H2*Bulletin of the American Physical Society.

Dunham Group

Srinivas, P., Goralski, T. D., Keiler, K. C., & Dunham, C. M. (2019). Alternative mechanisms of ribosome stalling rescue in the gram-negative bacterium Francisella tularensisThe FASEB Journal33(1_supplement), 628-3.

Hoffer, E. D., Maehigashi, T., Fredrick, K., & Dunham, C. M. (2019). Ribosomal am biguity (ram) mutations promote 30S domain closure and thereby increase miscodingThe FASEB Journal33(1_supplement), 628-2.

Dunham, C. M., Hoffer, E. D., Nguyen, H. A., Subramanian, S., Hong, S., & Maehigashi, T. (2019). RNA-mediated Mechanisms of Translation ControlThe FASEB Journal33(1_supplement), 100-1.

Zaldana, K. S., Pavelich, I., Moller, A., & Dunham, C. M. (2019). Dissecting the gene regulation of Proteus vulgaris Rts1 HigB-HigA toxin-antitoxin systemThe FASEB Journal33(1_supplement), 458-20.

Pavelich, I., & Dunham, C. M. (2019). Mechanism and stability of type II bacterial toxin-antitoxin complexes and the role of regulated antitoxin proteolysis that releases toxinThe FASEB Journal33(1_supplement), 463-8.

Nguyen, H. A., & Dunham, C. M. (2019). Importance of the m1G37 modification and 32–38 pairing in tRNAPro (CCG) on decoding and tRNA stabilityThe FASEB Journal33(1_supplement), 630-6.

Dyer Group

Sanchez, M. K., Wu, C. H., Adams, M. W., & Dyer, R. B. (2019). Optimizing electron transfer from CdSe QDs to hydrogenase for photocatalytic H 2 productionChemical Communications.

Deng, H., Dyer, R. B., & Callender, R. (2019). Active Site Glu165 Activation in Triosephosphate Isomerase and its Deprotonation KineticsThe Journal of Physical Chemistry B.

Evangelista Group

Zhang, T., Li, C., & Evangelista, F. A. (2019). Improving the efficiency of the multireference driven similarity renormalization group via sequential transformation, density fitting, and the non-interacting virtual orbital approximationarXiv preprint arXiv:1903.11637.

Li, C., Lindh, R., & Evangelista, F. A. (2019). Dynamically weighted multireference perturbation theory: Combining the advantages of multi-state and state-averaged methodsThe Journal of Chemical Physics150(14), 144107.

Heemstra Group

Lackey, H., Peterson, E. M., Chen, Z., Harris, J. M., & Heemstra, J. M. (2019). Thermostability Trends of TNA: DNA Duplexes Reveal Strong Purine DependenceACS synthetic biology.

Ayele, T., Knutson, S. D., Ellipilli, S., Hwang, H., & Heemstra, J. M. (2019). Fluorogenic Photoaffinity Labeling of Proteins in Living CellsBioconjugate Chemistry.

Heaven Group

Le, A. T., Nakhate, S. G., Nguyen, D. T., Steimle, T. C., & Heaven, M. C. (2019). Characterization of gas-phase thorium nitride. The Journal of chemical physics150(14), 144304.

Hill Group

Tao, M., Li, Y., Geletii, Y. V., Hill, C. L., & Wang, X. (2019). Aerobic oxidation of glycerol catalyzed by M salts of PMo12O403-(M= K+, Zn2+, Cu2+, Al3+, Cr3+, Fe3+)Applied Catalysis A: General.

Tian, Y., Plonka, A. M., Ebrahim, A. M., Palomino, R. M., Senanayake, S. D., Balboa, A., … & Mitchell, M. B. (2019). A Correlated Multimodal Approach Reveals Key Details of Nerve-Agent Decomposition by Single Site Zr-Based Polyoxometalates. The journal of physical chemistry letters.

Ke Group

Wang, W., Chen, S., An, B., Huang, K., Bai, T., Xu, M., … & Wei, B. (2019). Complex wireframe DNA nanostructures from simple building blocksNature communications10(1), 1067.

Musaev Group

McLarney, B. D., Hanna, S. R., Musaev, D. G., & France, S. (2019). A Predictive Model for the [Rh2 (esp) 2]-catalyzed Intermolecular C (sp3)-H Bond Insertion of β-carbonyl Ester Carbenes: Interplay Between Theory and ExperimentACS Catalysis.

Tian, Y., Plonka, A. M., Ebrahim, A. M., Palomino, R. M., Senanayake, S. D., Balboa, A., … & Mitchell, M. B. (2019). A Correlated Multimodal Approach Reveals Key Details of Nerve-Agent Decomposition by Single Site Zr-Based PolyoxometalatesThe journal of physical chemistry letters.

Wuest Group

Zhao, W., Cross, A. R., Crowe-McAuliffe, C., Weigert-Munoz, A., Csatary, E. E., Solinski, A., … & Wuest, W. (2019). The natural product elegaphenone potentiates antibiotic effects against Pseudomonas aeruginosaAngewandte Chemie.

Cheng, A. V., & Wuest, W. M. (2019). Signed, Sealed, Delivered: Conjugate and Prodrug Strategies as Targeted Delivery Vectors for AntibioticsACS infectious diseases.

Wilt, I. K., Hari, T. P. A., & Wuest, W. M. (2019). Hijacking the Bacterial Circuitry of Biofilm Processes via Chemical” Hot-Wiring”: An Under-explored Avenue for Therapeutic DevelopmentACS infectious diseases.

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.

I’m a chemist and…Vol. 2

We’re continuing our celebration of all the great things our chemists do both inside and outside of the lab! In volume two, meet chemists who compete in roller derby and golf, an animal photography volunteer, and more!

Click the image below to go to the full article!

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.

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.

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.

 

Jen Heemstra and Bill Wuest Named Scialog Fellows

Bill Wuest. Photo by Jessica Lily Photography for Work+Play.
Jen Heemstra. Photo by Jessica Lily Photography for Work+Play.

Associate Professors Dr. Jen Heemstra and Dr. Bill Wuest have both been named Scialog Fellows for the Chemical Machinery of the Cell. Scialog, supported by the Research Corporation for Scientific Advancement and the Gordon and Betty Moore Foundation,  aims to advance human knowledge by supporting and empowering early career scientists. Fellows work in community with other scientists in their theme area to learn and discover through the give-and-take of community building among multidisciplinary teams.

The Scialog on the Chemical Machinery of the Cell is based on the conviction that the time is right to bring together chemists and biologists to spark collaborations and develop interdisciplinary

Bill Wuest. Photo by Jessica Lily Photography for Work+Play.
Bill Wuest. Photo by Jessica Lily Photography for Work+Play.

projects that will catapult us to a deeper understanding of chemical machinery and reactions in the intact cell. The group will explore questions such as “How does the cell organize reactions in functionally distinct compartments that are not bound by membranes?” and “What combination of new chemical tools including chemical probes, optical techniques, and quantum methods can bring about molecular resolution of the chemical machinery in intact, living cells?”

Jen and Bill will have the opportunity to engage with other Chemical Machinery of the Cell fellows at the upcoming Scialog conference in Tucson, Arizona.

Congratulations, Jen and Bill!