All Faculty and Research Staff Publications

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Johnston SB, Raines RT. PTENpred: A Designer Protein Impact Predictor for PTEN-related Disorders. Journal of Computational Biology. 2016 ;23:969-975.
Engelkemier J, Green LM, McDougald RN, McCandless GT, Chan JY, Fredrickson DC. Putting ScTGa5 (T = Fe, Co, Ni) on the Map: How Electron Counts and Chemical Pressure Shape the Stability Range of the HoCoGa5 Type. Crystal Growth & Design. 2016 ;16:5349-5358.
Roston D, Cui Q. QM/MM Analysis of Transition States and Transition State Analogues in Metalloenzymes. In: Voth GA Vol. 577. San Diego: Elsevier Academic Press Inc; 2016. pp. 213-250.
Lu XY, Fang D, Ito S, Okamoto Y, Ovchinnikov V, Cui Q. QM/MM free energy simulations: recent progress and challenges. Molecular Simulation. 2016 ;42:1056-1078.
Sarks C, Higbee A, Piotrowski J, Xue SS, Coon JJ, Sato TK, Jin MJ, Balan V, Dale BE. Quantifying pretreatment degradation compounds in solution and accumulated by cells during solids and yeast recycling in the Rapid Bioconversion with Integrated recycling Technology process using AFEX (TM) corn stover. Bioresource Technology. 2016 ;205:24-33.
Zhong XF, Hao L, Lu JF, Ye H, Zhang SC, Li LJ. Quantitative analysis of serotonin secreted by human embryonic stem cells-derived serotonergic neurons via pH-mediated online stacking-CE-ESI-MRM. Electrophoresis. 2016 ;37:1027-1030.
Huynh MT, Anson CW, Cavell AC, Stahl SS, Hammes-Schiffer S. Quinone 1 e(-) and 2 e(-)/2 H+ Reduction Potentials: Identification and Analysis of Deviations from Systematic Scaling Relationships. Journal of the American Chemical Society. 2016 ;138:15903-15910.
Aronoff MR, Gold B, Raines RT. Rapid cycloaddition of a diazo group with an unstrained dipolarophile. Tetrahedron Letters. 2016 ;57:2347-2350.
Carter MCD, Jennings J, Speetjens FW, Lynn DM, Mahanthappa MK. A Reactive Platform Approach for the Rapid Synthesis and Discovery of High chi/Low N Block Polymers. Macromolecules. 2016 ;49:6268-6276.
Rajeev A, Mawst LJ, Kirch JD, Botez D, Miao J, Buelow P, Kuech TF, Li XQ, Sigler C, Babcock SE, et al. Regrowth of quantum cascade laser active regions on metamorphic buffer layers. Journal of Crystal Growth. 2016 ;452:268-271.
Arnold U, Raines RT. Replacing a single atom accelerates the folding of a protein and increases its thermostability. Organic & Biomolecular Chemistry. 2016 ;14:6780-6785.
Hudson-Smith NV, Clement PL, Brown RP, Krause MOP, Pedersen JA, Haynes CL. Research highlights: speciation and transformations of silver released from Ag NPs in three species. Environmental Science-Nano. 2016 ;3:1236-1240.
Majumder A, Wan XW, Masid F, Pollock BJ, Andrew TL, Soppera O, Menon R. Reverse-absorbance-modulation-optical lithography for optical nanopatterning at low light levels. Aip Advances. 2016 ;6.
Kim MJ, Zoerb MC, Campbell NR, Zimmermann KJ, Blomquist BW, Huebert BJ, Bertram TH. Revisiting benzene cluster cations for the chemical ionization of dimethyl sulfide and select volatile organic compounds. Atmospheric Measurement Techniques. 2016 ;9:1473-1484.
Song WZ, Lynch JC, Shu XZ, Tang WP. Rhodium-Catalyzed 5+2 Cycloaddition of 3-Acyloxy-1,4-enyne with Alkene or Allene. Advanced Synthesis & Catalysis. 2016 ;358:2007-2011.
Li XX, Song WZ, Ke XN, Xu XF, Liu P, Houk KN, Zhao XL, Tang WP. Rhodium-Catalyzed Intramolecular 5+2 Cycloaddition of Inverted 3-Acyloxy-1,4-enyne and Alkyne: Experimental and Theoretical Studies. Chemistry-A European Journal. 2016 ;22:7079-7083.
Li XX, Xie HB, Fu XN, Liu JT, Wang HY, Xi BM, Liu P, Xu XF, Tang WP. Rhodium(I)-Catalyzed Benzannulation of Heteroaryl Propargylic Esters: Synthesis of Indoles and Related Heterocycles. Chemistry-A European Journal. 2016 ;22:10410-10414.
Ro I, Liu YF, Ball MR, Jackson DHK, Chada JP, Sener C, Kuech TF, Madon RJ, Huber GW, Dumesic JA. Role of the Cu-ZrO2 Interfacial Sites for Conversion of Ethanol to Ethyl Acetate and Synthesis of Methanol from CO2 and H-2. Acs Catalysis. 2016 ;6:7040-7050.
Miller EL, Nason SL, Karthikeyan KG, Pedersen JA. Root Uptake of Pharmaceuticals and Personal Care Product Ingredients. Environmental Science & Technology. 2016 ;50:525-541.
Huang LB, Weix DJ. Ruthenium-Catalyzed C-H Arylation of Diverse Aryl Carboxylic Acids with Aryl and Heteroaryl Halides. Organic Letters. 2016 ;18:5432-5435.
Jones BR, Abrams ML, Landis CR, May SA, Campbell AN, Martinelli JR, Calvin JR. Scalable Synthesis of Enantiopure Bis-3,4-diazaphospholane Ligands for Asymmetric Catalysis. Journal of Organic Chemistry. 2016 ;81:11965-11970.
Zhu HM, Miyata K, Fu YP, Wang J, Joshi PP, Niesner D, Williams KW, Jin S, Zhu XY. Screening in crystalline liquids protects energetic carriers in hybrid perovskites. Science. 2016 ;353:1409-1413.
DeMott PJ, Hill TCJ, McCluskey CS, Prather KA, Collins DB, Sullivan RC, Ruppel MJ, Mason RH, Irish VE, Lee T, et al. Sea spray aerosol as a unique source of ice nucleating particles. Proceedings of the National Academy of Sciences of the United States of America. 2016 ;113:5797-5803.
Vasta JD, Andersen KA, Deck KM, Nizzi CP, Eisenstein RS, Raines RT. Selective Inhibition of Collagen Prolyl 4-Hydroxylase in Human Cells. ACS Chemical Biology. 2016 ;11:193-199.
Grant JT, Carrero CA, Goeltl F, Venegas J, Mueller P, Burt SP, Specht SE, McDermott WP, Chieregato A, Hermans I. Selective oxidative dehydrogenation of propane to propene using boron nitride catalysts. Science. 2016 ;354:1570-1573.
Whedon SD, Markandeya N, Rana A, Senger NA, Weller CE, Turecek F, Strieter ER, Chatterjee C. Selenocysteine as a Latent Bioorthogonal Electrophilic Probe for Deubiquitylating Enzymes. Journal of the American Chemical Society. 2016 ;138:13774-13777.
Choi JW, Carter MCD, Wei W, Kanimozi C, Speetjens FW, Mahanthappa MK, Lynn DM, Gopalan P. Self-Assembly and Post-Fabrication Functionalization of Microphase Separated Thin Films of a Reactive Azlactone-Containing Block, Copolymer. Macromolecules. 2016 ;49:8177-8186.
Christensen AS, Kubar T, Cui Q, Elstner M. Semiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications. Chemical Reviews. 2016 ;116:5301-5337.
Li J, Hunt JF, Gong S, Cai Z. Simplified analytical model and balanced design approach for light-weight wood-based structural panel in bending. Composite Structures. 2016 ;136:16-24.
Choi H, Chakraborty S, Liu RH, Gellman SH, Weisshaar JC. Single-Cell, Time-Resolved Antimicrobial Effects of a Highly Cationic, Random Nylon-3 Copolymer on Live Escherichia coli. ACSChemical Biology. 2016 ;11:113-120.
Barns KJ, Weisshaar JC. Single-cell, time-resolved study of the effects of the antimicrobial peptide alamethicin on Bacillus subtilis. Biochimica Et Biophysica Acta-Biomembranes. 2016 ;1858:725-732.
Ng JD, Upadhyay SP, Marquard AN, Lupo KM, Hinton DA, Padilla NA, Bates DM, Goldsmith RH. Single-Molecule Investigation of Initiation Dynamics of an Organometallic Catalyst. Journal of the American Chemical Society. 2016 ;138:3876-3883.
Kratochvil MJ, Welsh MA, Manna U, Ortiz BJ, Blackwell HE, Lynn DM. Slippery Liquid-Infused Porous Surfaces that Prevent Bacterial Surface Fouling and Inhibit Virulence Phenotypes in Surrounding Planktonic Cells. Acs Infectious Diseases. 2016 ;2:509-517.
Manna U, Raman N, Welsh MA, Zayas-Gonzalez YM, Blackwell HE, Palecek SP, Lynn DM. Slippery Liquid-Infused Porous Surfaces that Prevent Microbial Surface Fouling and Kill Non-Adherent Pathogens in Surrounding Media: A Controlled Release Approach. Advanced Functional Materials. 2016 ;26:3599-3611.
Kissinger JA, Buttke LG, Vinokur AI, Guzei IA, Beyer KD. Solubilities and Glass Formation in Aqueous Solutions of the Sodium Salts of Malonic Acid With and Without Ammonium Sulfate. Journal of Physical Chemistry A. 2016 ;120:3827-3834.
Ostrander JS, Serrano AL, Ghosh A, Zanni MT. Spatially Resolved Two-Dimensional Infrared Spectroscopy via Wide-Field Microscopy. ACS Photonics. 2016 ;3:1315-1323.
Knezz SN, Waltz TA, Haenni BC, Burrmann NJ, McMahon RJ. Spectroscopy and Photochemistry of Triplet 1,3-Dimethylpropynylidene (MeC3Me). Journal of the American Chemical Society. 2016 ;138:12596-12604.
Scholz SO, Farney EP, Kim S, Bates DM, Yoon TP. Spin-Selective Generation of Triplet Nitrenes: Olefin Aziridination through Visible-Light Photosensitization of Azidoformates. Angewandte Chemie-International Edition. 2016 ;55:2239-2242.
Gerstner NC, Adams CS, Tretbar M, Schomaker JM. Stereocontrolled Syntheses of Seven-Membered Carbocycles by Tandem Allene Aziridination/[4+3] Reaction. Angewandte Chemie International Edition. 2016 ;55:13240-13243.
Mushenheim PC, Pendery JS, Weibel DB, Spagnolie SE, Abbott NL. Straining soft colloids in aqueous nematic liquid crystals. Proceedings of the National Academy of Sciences of the United States of America. 2016 ;113:5564-5569.
Jung YH, Lee J, Qiu Y, Cho N, Cho SJ, Zhang H, Lee S, Kim TJ, Gong S, Ma Z. Stretchable Twisted-Pair Transmission Lines for Microwave Frequency Wearable Electronics. Advanced Functional Materials. 2016 ;26:4635-4642.
Goldschen-Ohm MP, Klenchin VA, White DS, Cowgill JB, Cui Q, Goldsmith RH, Chanda B. Structure and dynamics underlying elementary ligand binding events in human pacemaking channels. eLife. 2016 ;5:e20797.
Yethiraj A. Structure of room temperature ionic liquids. Journal of Physics-Condensed Matter. 2016 ;28.
O'Reilly MC, Blackwell HE. Structure-Based Design and Biological Evaluation of Triphenyl Scaffold-Based Hybrid Compounds as Hydrolytically Stable Modulators of a LuxR-Type Quorum Sensing Receptor. Acs Infectious Diseases. 2016 ;2:32-38.
Yang T, Tal-Gan Y, Paharik AE, Horswill AR, Blackwell HE. Structure-Function Analyses of a Staphylococcus epidermidis Autoinducing Peptide Reveals Motifs Critical for AgrC-type Receptor Modulation. ACS Chemical Biology. 2016 ;11:1982-1991.
Wangkanont K, Wesener DA, Vidani JA, Kiessling LL, Forest KT. Structures of Xenopus Embryonic Epidermal Lectin Reveal a Conserved Mechanism of Microbial Glycan Recognition. Journal of Biological Chemistry. 2016 ;291:5596-5610.
Kann ZR, Skinner JL. Sub- and super-Maxwellian evaporation of simple gases from liquid water. Journal of Chemical Physics. 2016 ;144.
Roston D, Cui Q. Substrate and Transition State Binding in Alkaline Phosphatase Analyzed by Computation of Oxygen Isotope Effects. Journal of the American Chemical Society. 2016 ;138:11946-11957.
Crowe SO, Pham GH, Ziegler JC, Deol KK, Guenette RG, Ge Y, Strieter ER. Subunit-Specific Labeling of Ubiquitin Chains by Using Sortase: Insights into the Selectivity of Deubiquitinases. Chembiochem. 2016 ;17:1525-1531.
Hahn C, Kann ZR, Faust JA, Skinner JL, Nathanson GM. Super-Maxwellian helium evaporation from pure and salty water. Journal of Chemical Physics. 2016 ;144.