April research round up

Bowman Group

A fragmented, permutationally invariant polynomial approach for potential energy surfaces of large molecules: Application to N-methyl acetamide

Qu, C., & Bowman, J. M
The Journal of Chemical Physics

Full-dimensional quantum rovibrational scattering of SO with H2*

Yang, B., Zhang, P., Qu, C., Stancil, P., Bowman, J.
Bulletin of the American Physical Society

Dunham Group

Alternative mechanisms of ribosome stalling rescue in the gram-negative bacterium Francisella tularensis

Srinivas, P., Goralski, T. D., Keiler, K. C., & Dunham, C. M.
The FASEB Journal

Ribosomal am biguity (ram) mutations promote 30S domain closure and thereby increase miscoding

Hoffer, E. D., Maehigashi, T., Fredrick, K., & Dunham, C. M.
The FASEB Journal

RNA-mediated Mechanisms of Translation Control

Dunham, C. M., Hoffer, E. D., Nguyen, H. A., Subramanian, S., Hong, S., & Maehigashi, T.
The FASEB Journal

Dissecting the gene regulation of Proteus vulgaris Rts1 HigB-HigA toxin-antitoxin system

Zaldana, K. S., Pavelich, I., Moller, A., & Dunham, C. M.
The FASEB Journal

Mechanism and stability of type II bacterial toxin-antitoxin complexes and the role of regulated antitoxin proteolysis that releases toxin

Pavelich, I., & Dunham, C. M.
The FASEB Journal

Importance of the m1G37 modification and 32–38 pairing in tRNAPro (CCG) on decoding and tRNA stability

Nguyen, H. A., & Dunham, C. M.
The FASEB Journal

Dyer Group

Optimizing electron transfer from CdSe QDs to hydrogenase for photocatalytic H 2 production

Sanchez, M. K., Wu, C. H., Adams, M. W., & Dyer, R. B.
Chemical Communications

Active Site Glu165 Activation in Triosephosphate Isomerase and its Deprotonation Kinetics

Deng, H., Dyer, R. B., & Callender, R.
The Journal of Physical Chemistry B

Evangelista Group

Improving the efficiency of the multireference driven similarity renormalization group via sequential transformation, density fitting, and the non-interacting virtual orbital approximation

Zhang, T., Li, C., & Evangelista, F. A.
arXiv

Dynamically weighted multireference perturbation theory: Combining the advantages of multi-state and state-averaged methods

Li, C., Lindh, R., & Evangelista, F. A.
The Journal of Chemical Physics

Heaven Group

Characterization of gas-phase thorium nitride

Le, A. T., Nakhate, S. G., Nguyen, D. T., Steimle, T. C., & Heaven, M. C.
The Journal of Chemical Physics

Heemstra Group

Thermostability Trends of TNA: DNA Duplexes Reveal Strong Purine Dependence

Lackey, H., Peterson, E. M., Chen, Z., Harris, J. M., & Heemstra, J. M.
ACS Synthetic Biology

Fluorogenic Photoaffinity Labeling of Proteins in Living Cells

Ayele, T., Knutson, S. D., Ellipilli, S., Hwang, H., & Heemstra, J. M.
Bioconjugate Chemistry

Hill Group

Aerobic oxidation of glycerol catalyzed by M salts of PMo12O403-(M= K+, Zn2+, Cu2+, Al3+, Cr3+, Fe3+)

Tao, M., Li, Y., Geletii, Y. V., Hill, C. L., & Wang, X.
Applied Catalysis A: General

A Correlated Multimodal Approach Reveals Key Details of Nerve-Agent Decomposition by Single Site Zr-Based Polyoxometalates

Tian, Y., Plonka, A. M., Ebrahim, A. M., Palomino, R. M., Senanayake, S. D., Balboa, A., … & Mitchell, M. B.
The Journal of Physical Chemistry Letters

Ke Group

Complex wireframe DNA nanostructures from simple building blocks

Wang, W., Chen, S., An, B., Huang, K., Bai, T., Xu, M., … & Wei, B.
Nature Communications

Jamal Musaev, Emerson Center

A Predictive Model for the [Rh2 (esp) 2]-catalyzed Intermolecular C (sp3)-H Bond Insertion of β-carbonyl Ester Carbenes: Interplay Between Theory and Experiment

McLarney, B. D., Hanna, S. R., Musaev, D. G., & France, S.
ACS Catalysis

A Correlated Multimodal Approach Reveals Key Details of Nerve-Agent Decomposition by Single Site Zr-Based Polyoxometalates

Tian, Y., Plonka, A. M., Ebrahim, A. M., Palomino, R. M., Senanayake, S. D., Balboa, A., … & Mitchell, M. B.
The Journal of Physical Chemistry Letters

Wuest Group

The natural product elegaphenone potentiates antibiotic effects against Pseudomonas aeruginosa

Zhao, W., Cross, A. R., Crowe-McAuliffe, C., Weigert-Munoz, A., Csatary, E. E., Solinski, A., … & Wuest, W.
Angewandte Chemie

Signed, Sealed, Delivered: Conjugate and Prodrug Strategies as Targeted Delivery Vectors for Antibiotics

Cheng, A. V., & Wuest, W. M.
ACS Infectious Diseases

Hijacking the Bacterial Circuitry of Biofilm Processes via Chemical” Hot-Wiring”: An Under-explored Avenue for Therapeutic Development

Wilt, I. K., Hari, T. P. A., & Wuest, W. M.
ACS Infectious Diseases