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.

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.

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.