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August research round up

August research round up

Summary:

August 2019 publications from the Emory University Department of Chemistry.

Blakey Group

Regioselective Cp* Ir (III)-catalyzed Allylic C–H Sulfamidation of Allylbenzene Derivatives

Kazerouni, A. M., Farmer Nelson, T. A., Chen, S. W., Sharp, K. R., & Blakey, S. B.
Journal of Organic Chemistry
Bowman Group

High-Level VSCF/VCI Calculations Decode the Vibrational Spectrum of the Aqueous Proton

Yu, Q., Carpenter, W. B., Lewis, N. H., Tokmakoff, A., & Bowman, J. M.
The Journal of Physical Chemistry B

Two-layer Gaussian-based MCTDH study of the S 1← S 0 vibronic absorption spectrum of formaldehyde using multiplicative neural network potentials

Koch, W., Bonfanti, M., Eisenbrandt, P., Nandi, A., Fu, B., Bowman, J., … & Burghardt, I.
The Journal of Chemical Physics

A Machine Learning Approach for Prediction of Rate Constants

Houston, P. L., Nandi, A., & Bowman, J. M.
The Journal of Physical Chemistry Letters

Disentangling the Complex Vibrational Mechanics of the Protonated Water Trimer by Rational Control of Its Hydrogen Bonds

Duong, C. H., Yang, N., Johnson, M. A., DiRisio, R. J., McCoy, A. B., Yu, Q., & Bowman, J. M.
The Journal of Physical Chemistry A

Full and fragmented permutationally invariant polynomial potential energy surfaces for trans and cis N-methyl acetamide and isomerization saddle points

Nandi, A., Qu, C., & Bowman, J. M.
The Journal of Chemical Physics
Antonio Brathwaite, Senior Lecturer

Cyclotrimerization of Acetylene in Gas Phase V+ (C2H2) n Complexes: Detection of Intermediates and Products with Infrared Spectroscopy

Marks, J. H., Ward, T. B., Brathwaite, A. D., Ferguson, S., & Duncan, M. A.
Journal of Physical Chemistry A
Dyer Group

Kinetics of histidine-tagged protein association to nickel-decorated liposome surfaces

Raghunath, G., & Dyer, R. B.
Langmuir
Evangelista Group

Analytic gradients for the single-reference driven similarity renormalization group second-order perturbation theory

Wang, S., Li, C., & Evangelista, F. A.
The Journal of Chemical Physics
Kindt Group

Competing factors in grain boundary loop shrinkage: Two-dimensional hard sphere colloidal crystals

Guo, Z., & Kindt, J. T.
The Journal of Chemical Physics
Lian Group

Effect of Surface Ligand on Charge Separation and Recombination at CsPbI3 Perovskite Quantum Dot/TiO2 Interfaces

Shang, Q., Piercy, B., Losego, M. D., & Lian, T.
The Journal of Physical Chemistry C

In Situ Vibrational SFG Spectroscopic Study of Au-Catalyzed CO2 Reduction in Aqueous Solution

Meng, J., & Lian, T.
Meeting Abstracts: The Electrochemical Society

Exciton Spatial Coherence and Optical Gain in Colloidal Two-Dimensional Cadmium Chalcogenide Nanoplatelets

Li, Q., & Lian, T.
Accounts of Chemical Research.
Salaita Group

Macrophages exposed to HIV viral protein disrupt lung epithelial cell integrity and mitochondrial bioenergetics via exosomal microRNA shuttling

Yuan, Z., Petree, J. R., Lee, F. E. H., Fan, X., Salaita, K., Guidot, D. M., & Sadikot, R. T.
Cell Death & Disease

Fluorescence Polarization Microscopy Enables Spatial Mapping of the 3D Orientation of Piconewton Integrin Traction Forces

Brockman, J. M., Blanchard, A. T., Salaita, K., & Mattheyses, A. L.
Microscopy and Microanalysis

DNA probes that store mechanical information reveal transient piconewton forces applied by T cells

Ma, R., Kellner, A. V., Ma, V. P. Y., Su, H., Deal, B. R., Brockman, J. M., & Salaita, K.
Proceedings of the National Academy of Sciences

Highly polyvalent DNA motors generate 100+ piconewtons of force via autochemophoresis

Blanchard, A., Bazrafshan, A., Yi, J., Eisman, J. T., Yehl, K. M., Bian, T., … & Salaita, K.
Nano letters
Wuest Group

Targeting S. mutans biofilms: a perspective on preventing dental caries

Scharnow, A. M., Solinski, A. E., & Wuest, W. M. 
MedChemComm

A selective membrane-targeting repurposed antibiotic with activity against persistent methicillin-resistant Staphylococcus aureus

Kim, W., Zou, G., Hari, T. P., Wilt, I. K., Zhu, W., Galle, N., … & Huang, X.
Proceedings of the National Academy of Sciences
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