Gábor Czakó Receives Momentum Research Grant

Congratulations to Dr. Gábor Czakó, who recently received the Momentum Grant of the Hungarian Academy of Sciences. Dr. Czakó was a postdoctoral fellow in the Bowman group and is currently an Associate Professor and the head of the Computational Reaction Dynamics Research Group at the University of Szeged (Szeged, Hungary).

The Momentum Program of the Hungarian Academy of Sciences was designed to motivate young Hungarian researchers to continue their research efforts in Hungary. The program provides the most prestigious and competitive grant in the country, awarded to only one or two chemist(s) annually.

 

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.

 

 

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.

Qi Yu (Bowman Group) Receives Award from China Scholarship Council

Fifth year graduate student Qi Yu (Bowman Group) has received an award from the China Scholarship Council. The award is considered the highest honor given by the Council in recognition of a student conducting graduate studies outside of China who does not receive financial support from the Chinese government.

To date, the recipients include students studying in 33 countries, including the United States, the United Kingdom, Germany, Japan, Australia and Canada. More than half a million Chinese students leave China to study abroad each year, making this prestigious award highly competitive, with only 500 students awarded yearly. The award includes a one-time $6000 cash award and a certificate.

“Qi has done outstanding work on the quantum dynamical description of protonated water clusters, from the potential to the vibrational dynamics.  He has joint papers with top experimental groups in the world working in this research area,” says his Ph.D. advisor, Dr. Joel Bowman.

Congratulations, Qi!

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.

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.

Research from the Bowman Group Featured on Cover of the Journal of Physical Chemistry

Congratulations to the Bowman lab for their recent publication, “Tag-Free and Isotopomer-Selective Vibrational Spectroscopy of the Cryogenically Cooled H9O4+ Cation with Two-Color, IR–IR Double-Resonance Photoexcitation: Isolating the Spectral Signature of a Single OH Group in the Hydronium Ion Core”.

Their article was featured on the cover of The Journal of Physical Chemistry.

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.