Research Output

2020

2-Fluorotyrosine is a valuable but understudied amino acid for protein-observed 19F NMR

Ycas, P. D., Wagner, N., Olsen, N. M., Fu, R. & Pomerantz, W. C. K., Jan 1 2020, In : Journal of biomolecular NMR. 74, 1, p. 61-69 9 p.

Research output: Contribution to journalArticle

1 Scopus citations

A15, σ, and a Quasicrystal: Access to Complex Particle Packings via Bidisperse Diblock Copolymer Blends

Lindsay, A. P., Lewis, R. M., Lee, B., Peterson, A. J., Lodge, T. P. & Bates, F. S., Jan 1 2020, (Accepted/In press) In : ACS Macro Letters. p. 197-203 7 p.

Research output: Contribution to journalArticle

Absolutely Localized Projection-Based Embedding for Excited States

Wen, X., Graham, D. S., Chulhai, D. V. & Goodpaster, J. D., Jan 14 2020, In : Journal of Chemical Theory and Computation. 16, 1, p. 385-398 14 p.

Research output: Contribution to journalArticle

Actinide 2-metallabiphenylenes that satisfy Hückel’s rule

Pagano, J. K., Xie, J., Erickson, K. A., Cope, S. K., Scott, B. L., Wu, R., Waterman, R., Morris, D. E., Yang, P., Gagliardi, L. & Kiplinger, J. L., Feb 27 2020, In : Nature. 578, 7796, p. 563-567 5 p.

Research output: Contribution to journalArticle

Anionic food color tartrazine enhances antibacterial efficacy of histatin-derived peptide DHVAR4 by fine-tuning its membrane activity

Ricci, M., Horváti, K., Juhász, T., Szigyártó, I., Török, G., Sebák, F., Bodor, A., Homolya, L., Henczkó, J., Pályi, B., Mlinkó, T., Mihály, J., Nizami, B., Yang, Z., Lin, F., Lu, X., Románszki, L., Bóta, A., Varga, Z., Bosze, S. & 2 others, Zsila, F. & Beke-Somfai, T., Jan 1 2020, (Accepted/In press) In : Quarterly Reviews of Biophysics. e5.

Research output: Contribution to journalArticle

Assessing the Quality of Molecular Simulations for Vapor-Liquid Equilibria: An Analysis of the TraPPE Database

Eggimann, B. L., Sun, Y., Dejaco, R. F., Singh, R., Ahsan, M., Josephson, T. R. & Siepmann, J. I., Mar 12 2020, In : Journal of Chemical and Engineering Data. 65, 3, p. 1330-1344 15 p.

Research output: Contribution to journalArticle

Biorelevant polyanions stabilize fibrin against mechanical and proteolytic decomposition: Effects of polymer size and electric charge

Komorowicz, E., Balázs, N., Tanka-Salamon, A., Varga, Z., Szabó, L., Bóta, A., Longstaff, C. & Kolev, K., Feb 2020, In : Journal of the Mechanical Behavior of Biomedical Materials. 102, 103459.

Research output: Contribution to journalArticle

Boosting Photoelectric Conductivity in Porphyrin-Based MOFs Incorporating C60

Pratik, S. M., Gagliardi, L. & Cramer, C. J., Jan 23 2020, In : Journal of Physical Chemistry C. 124, 3, p. 1878-1887 10 p.

Research output: Contribution to journalArticle

Carboxylic Sulfuric Anhydrides

Smith, C. J., Huff, A. K., Ward, R. M. & Leopold, K. R., Jan 30 2020, In : Journal of Physical Chemistry A. 124, 4, p. 601-612 12 p.

Research output: Contribution to journalArticle

Open Access

Cobalt-Group 13 Complexes Catalyze CO2 Hydrogenation via a Co(-I)/Co(I) Redox Cycle

Vollmer, M. V., Ye, J., Linehan, J. C., Graziano, B. J., Preston, A., Wiedner, E. S. & Lu, C. C., Feb 21 2020, In : ACS Catalysis. 10, 4, p. 2459-2470 12 p.

Research output: Contribution to journalArticle

Cobalt Release from a Nanoscale Multiphase Lithiated Cobalt Phosphate Dominates Interaction with Shewanella oneidensis MR-1 and Bacillus subtilis SB491

Clement, P. L., Kuether, J. E., Borgatta, J. R., Buchman, J. T., Cahill, M. S., Qiu, T. A., Hamers, R. J., Feng, Z. V. & Haynes, C. L., Mar 16 2020, In : Chemical research in toxicology. 33, 3, p. 806-816 11 p.

Research output: Contribution to journalArticle

Conservation of Angular Momentum in Direct Nonadiabatic Dynamics

Shu, Y., Zhang, L., Varga, Z., Parker, K. A., Kanchanakungwankul, S., Sun, S. & Truhlar, D. G., Feb 6 2020, In : Journal of Physical Chemistry Letters. 11, 3, p. 1135-1140 6 p.

Research output: Contribution to journalArticle

Critical comparison of reference electrodes with salt bridges contained in nanoporous glass with 5, 20, 50, and 100 nm diameter pores

Anderson, E. L., Troudt, B. K. & Bühlmann, P., Jan 1 2020, In : Analytical Sciences. 36, 2, p. 187-191 5 p.

Research output: Contribution to journalArticle

Open Access

DFT Study on the Catalytic Activity of ALD-Grown Diiron Oxide Nanoclusters for Partial Oxidation of Methane to Methanol

Barona, M., Gaggioli, C. A., Gagliardi, L. & Snurr, R. Q., Feb 27 2020, In : Journal of Physical Chemistry A. 124, 8, p. 1580-1592 13 p.

Research output: Contribution to journalArticle

Dilute Solution Properties of Poly(benzyl methacrylate) in Ionic Liquids

Kharel, A., Hall, C., Černoch, P., Stepanek, P. & Lodge, T. P., Jan 1 2020, (Accepted/In press) In : Macromolecules.

Research output: Contribution to journalArticle

Direct dynamics of a large complex hydrocarbon reaction system: The reaction of OH with exo-tricyclodecane (the main component of Jet Propellant-10)

Wu, J., Gao, L. G., Ning, H., Ren, W. & Truhlar, D. G., Jun 2020, In : Combustion and Flame. 216, p. 82-91 10 p.

Research output: Contribution to journalArticle

DJ-1 can form β-sheet structured aggregates that co-localize with pathological amyloid deposits

Solti, K., Kuan, W. L., Fórizs, B., Kustos, G., Mihály, J., Varga, Z., Herberth, B., Moravcsik, É., Kiss, R., Kárpáti, M., Mikes, A., Zhao, Y., Imre, T., Rochet, J. C., Aigbirhio, F., Williams-Gray, C. H., Barker, R. A. & Tóth, G., Feb 2020, In : Neurobiology of Disease. 134, 104629.

Research output: Contribution to journalArticle

Open Access

Effect of Solvent Selectivity on Chain Exchange Kinetics in Block Copolymer Micelles

Wang, E., Zhu, J., Zhao, D., Xie, S., Bates, F. S. & Lodge, T. P., Jan 14 2020, In : Macromolecules. 53, 1, p. 417-426 10 p.

Research output: Contribution to journalArticle

Effects of Covalency on Anionic Redox Chemistry in Semiquinoid-Based Metal-Organic Frameworks

Ziebel, M. E., Gaggioli, C. A., Turkiewicz, A. B., Ryu, W., Gagliardi, L. & Long, J. R., Feb 5 2020, In : Journal of the American Chemical Society. 142, 5, p. 2653-2664 12 p.

Research output: Contribution to journalArticle

How Reliable Are Enantiomeric Excess Measurements Obtained By Chiral HPLC?

Payne, C. & Kass, S. R., Feb 14 2020, In : ChemistrySelect. 5, 6, p. 1810-1817 8 p.

Research output: Contribution to journalArticle

Internal Structure of Methylcellulose Fibrils

Schmidt, P. W., Morozova, S., Ertem, S. P., Coughlin, M. L., Davidovich, I., Talmon, Y., Reineke, T. M., Bates, F. S. & Lodge, T. P., Jan 14 2020, In : Macromolecules. 53, 1, p. 398-405 8 p.

Research output: Contribution to journalArticle

Intrinsically disordered HAX-1 regulates Ca2+ cycling by interacting with lipid membranes and the phospholamban cytoplasmic region

Larsen, E. K., Weber, D. K., Wang, S., Gopinath, T., Blackwell, D. J., Dalton, M. P., Robia, S. L., Gao, J. & Veglia, G., Jan 1 2020, In : Biochimica et Biophysica Acta - Biomembranes. 1862, 1, 183034.

Research output: Contribution to journalArticle

Open Access

Ion Mobility Mass Spectrometry as an Efficient Tool for Identification of Streptorubin B in Streptomyces coelicolor M145

Marshall, A. P., Johnson, A. R., Vega, M. M., Thomson, R. J. & Carlson, E. E., Jan 24 2020, In : Journal of Natural Products. 83, 1, p. 159-163 5 p.

Research output: Contribution to journalArticle

M06-SX screened-exchange density functional for chemistry and solid-state physics

Wang, Y., Verma, P., Zhang, L., Li, Y., Liu, Z., Truhlar, D. G. & He, X., Feb 4 2020, In : Proceedings of the National Academy of Sciences of the United States of America. 117, 5, p. 2294-2301 8 p.

Research output: Contribution to journalArticle

Mechanism of Initiation Stereocontrol in Polymerization of rac-Lactide by Aluminum Complexes Supported by Indolide-Imine Ligands

Luke, A. M., Peterson, A., Chiniforoush, S., Mandal, M., Popowski, Y., Sajjad, H., Bouchey, C. J., Shopov, D. Y., Graziano, B. J., Yao, L. J., Cramer, C. J., Reineke, T. M. & Tolman, W. B., Mar 10 2020, In : Macromolecules. 53, 5, p. 1809-1818 10 p.

Research output: Contribution to journalArticle

Mechanistic Studies of Bioorthogonal ATP Analogues for Assessment of Histidine Kinase Autophosphorylation

Espinasse, A., Wen, X., Goodpaster, J. D. & Carlson, E. E., Jan 1 2020, (Accepted/In press) In : ACS Chemical Biology.

Research output: Contribution to journalArticle

Multidimensional Nanoparticle Characterization through Ion Mobility-Mass Spectrometry

Li, C., Lee, A. L., Chen, X., Pomerantz, W. C. K., Haynes, C. L. & Hogan, C. J., Feb 4 2020, In : Analytical chemistry. 92, 3, p. 2503-2510 8 p.

Research output: Contribution to journalArticle

Multistep Reaction Pathway for CO2 Reduction on Hydride-Capped Si Nanosheets

Xia, L., Liao, X., He, Q., Wang, H., Zhao, Y. & Truhlar, D. G., Feb 6 2020, In : ChemCatChem. 12, 3, p. 722-725 4 p.

Research output: Contribution to journalArticle

Next-generation polymers: Isosorbide as a renewable alternative

Saxon, D. J., Luke, A. M., Sajjad, H., Tolman, W. B. & Reineke, T. M., Feb 2020, In : Progress in Polymer Science. 101, 101196.

Research output: Contribution to journalReview article

Open Access

Nickel enrichment of next-generation NMC nanomaterials alters material stability, causing unexpected dissolution behavior and observed toxicity to: S. oneidensis MR-1 and D. magna

Buchman, J. T., Bennett, E. A., Wang, C., Abbaspour Tamijani, A., Bennett, J. W., Hudson, B. G., Green, C. M., Clement, P. L., Zhi, B., Henke, A. H., Laudadio, E. D., Mason, S. E., Hamers, R. J., Klaper, R. D. & Haynes, C. L., Feb 2020, In : Environmental Science: Nano. 7, 2, p. 571-587 17 p.

Research output: Contribution to journalArticle

Periodic Electronic Structure Calculations with the Density Matrix Embedding Theory

Pham, H. Q., Hermes, M. R. & Gagliardi, L., Jan 14 2020, In : Journal of Chemical Theory and Computation. 16, 1, p. 130-140 11 p.

Research output: Contribution to journalArticle

Phosphorescent heteroleptic iridium(III) cyclometallates: Improved syntheses of acetylacetonate complexes and quantum chemical studies of their excited state properties

Sanner, R. D., Cherepy, N. J., Pham, H. Q. & Young, V. G., Jan 15 2020, In : Polyhedron. 176, 114256.

Research output: Contribution to journalArticle

Poly(methyl methacrylate) Films with High Concentrations of Silicon Quantum Dots for Visibly Transparent Luminescent Solar Concentrators

Hill, S. K. E., Connell, R., Held, J., Peterson, C., Francis, L., Hillmyer, M. A., Ferry, V. E. & Kortshagen, U., Jan 29 2020, In : ACS Applied Materials and Interfaces. 12, 4, p. 4572-4578 7 p.

Research output: Contribution to journalArticle

Polyplexes Are Endocytosed by and Trafficked within Filopodia

Ingle, N. P., Hexum, J. K. & Reineke, T. M., Jan 1 2020, (Accepted/In press) In : Biomacromolecules.

Research output: Contribution to journalArticle

Preparation of Scalable Silica-Coated Iron Oxide Nanoparticles for Nanowarming

Gao, Z., Ring, H. L., Sharma, A., Namsrai, B., Tran, N., Finger, E. B., Garwood, M., Haynes, C. L. & Bischof, J. C., Feb 1 2020, In : Advanced Science. 7, 4, 1901624.

Research output: Contribution to journalArticle

Open Access

Processable epoxy-telechelic polyalkenamers and polyolefins for photocurable elastomers

Kassekert, L. A., Dingwell, C. E., De Hoe, G. X. & Hillmyer, M. A., Jan 21 2020, In : Polymer Chemistry. 11, 3, p. 712-720 9 p.

Research output: Contribution to journalArticle

Reactions of HDDA Benzynes with C,N-Diarylimines (ArCH=NAr')

Arora, S., Sneddon, D. S. & Hoye, T. R., Jan 1 2020, (Accepted/In press) In : European Journal of Organic Chemistry.

Research output: Contribution to journalArticle

Readily Degradable Aromatic Polyesters from Salicylic Acid

Kim, H. J., Reddi, Y., Cramer, C. J., Hillmyer, M. A. & Ellison, C. J., Jan 21 2020, In : ACS Macro Letters. 9, 1, p. 96-102 7 p.

Research output: Contribution to journalArticle

Reduced surface adsorption in 3D printed acrylonitrile butadiene styrene micro free-flow electrophoresis devices

Anciaux, S. K. & Bowser, M. T., Feb 1 2020, In : ELECTROPHORESIS. 41, 3-4, p. 225-234 10 p.

Research output: Contribution to journalArticle

Sc3+-Promoted O-O Bond Cleavage of a (μ-1,2-Peroxo)diiron(III) Species Formed from an Iron(II) Precursor and O2 to Generate a Complex with an FeIV 2(μ-O)2 Core

Banerjee, S., Draksharapu, A., Crossland, P. M., Fan, R., Guo, Y., Swart, M. & Que, L., Jan 1 2020, (Accepted/In press) In : Journal of the American Chemical Society.

Research output: Contribution to journalArticle

1 Scopus citations
Open Access

Splice switching an oncogenic ratio of SmgGDS isoforms as a strategy to diminish malignancy

Brandt, A. C., McNally, L., Lorimer, E. L., Unger, B., Koehn, O. J., Suazo, K. F., Rein, L., Szabo, A., Tsaih, S. W., Distefano, M. D., Flister, M. J., Rigo, F., McNally, M. T. & Williams, C. L., Feb 18 2020, In : Proceedings of the National Academy of Sciences of the United States of America. 117, 7, p. 3627-3636 10 p.

Research output: Contribution to journalArticle

Synthesis and characterization of tetrairidium clusters in the metal organic framework UiO-67: Catalyst for ethylene hydrogenation

Yang, D., Gaggioli, C. A., Conley, E., Babucci, M., Gagliardi, L. & Gates, B. C., Feb 2020, In : Journal of Catalysis. 382, p. 165-172 8 p.

Research output: Contribution to journalArticle

The aza-hexadehydro-diels-alder reaction

Thompson, S. K. & Hoye, T. R., Jan 1 2020, In : Journal of the American Chemical Society. 141, 50, p. 19575-19580 6 p.

Research output: Contribution to journalArticle

The Role of the Organic Solvent Polarity in Isolating Uranyl Peroxide Capsule Fragments

Arteaga, A., Ray, D., Glass, E., Martin, N. P., Zakharov, L. N., Gagliardi, L. & Nyman, M., Feb 3 2020, In : Inorganic chemistry. 59, 3, p. 1633-1641 9 p.

Research output: Contribution to journalArticle