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MxiN differentially regulates monomeric and oligomeric species of the Shigella type three secretion system ATPase Spa47

MxiN differentially regulates monomeric and oligomeric species of the Shigella type three secretion system ATPase Spa47

03/29/2018

Heather B. Case and Nicholas E. Dickenson: Shigella rely entirely on the action of a single type three secretion system (T3SS) to support cellular invasion of colonic epithelial cells and to circumvent host immune responses. The ATPase Spa47 resides at th...

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Thermodynamic measures of binding strength in pnicogen, chalcogen, halogen, and hydrogen bonds

Thermodynamic measures of binding strength in pnicogen, chalcogen, halogen, and hydrogen bonds

03/20/2018

Jared B. Moss, Upendra Adhikari, and Steve Scheiner: Thermodynamic quantities ΔEelec, ΔH, and ΔG are computed by various different levels of ab initio quantum theory. The values obtained are searched for any reversals in order of stability between differe...

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Electrolyzer design for flexible decoupled water splitting and organic upgrading with electron reservoirs

Electrolyzer design for flexible decoupled water splitting and organic upgrading with electron reservoirs

03/08/2018

Wei Li, Nan Jiang, Bo Hu, Xuan Liu, Fuzhan Song, Guanqun Han, Taylor J. Jordan, Tanner B. Hanson, T. Leo Liu, Yujie Sun: Conventional water-splitting electrolysis drives the H2 and O2 evolution reactions (HER and OER, respectively) simultaneously with lar...

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Publications

Electrocatalytic CO2 reduction catalyzed by nitrogenase MoFe and FeFe proteins

Electrocatalytic CO2 reduction catalyzed by nitrogenase MoFe and FeFe proteins

04/01/2018

Bo Hu, Derek F. Harris, Dennis R. Dean, T. Leo Liu, Zhi-Yong Yang, Lance C. Seefeldt: Nitrogenases catalyze biological dinitrogen (N2) reduction to ammonia (NH3), and also reduce a number of non-physiological substrates, including carbon dioxide (CO2) to

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MxiN differentially regulates monomeric and oligomeric species of the Shigella type three secretion system ATPase Spa47

MxiN differentially regulates monomeric and oligomeric species of the Shigella type three secretion system ATPase Spa47

03/29/2018

Heather B. Case and Nicholas E. Dickenson: Shigella rely entirely on the action of a single type three secretion system (T3SS) to support cellular invasion of colonic epithelial cells and to circumvent host immune responses. The ATPase Spa47 resides at th...

Read More »
Thermodynamic measures of binding strength in pnicogen, chalcogen, halogen, and hydrogen bonds

Thermodynamic measures of binding strength in pnicogen, chalcogen, halogen, and hydrogen bonds

03/20/2018

Jared B. Moss, Upendra Adhikari, and Steve Scheiner: Thermodynamic quantities ΔEelec, ΔH, and ΔG are computed by various different levels of ab initio quantum theory. The values obtained are searched for any reversals in order of stability between differe...

Read More »
Electrolyzer design for flexible decoupled water splitting and organic upgrading with electron reservoirs

Electrolyzer design for flexible decoupled water splitting and organic upgrading with electron reservoirs

03/08/2018

Wei Li, Nan Jiang, Bo Hu, Xuan Liu, Fuzhan Song, Guanqun Han, Taylor J. Jordan, Tanner B. Hanson, T. Leo Liu, Yujie Sun: Conventional water-splitting electrolysis drives the H2 and O2 evolution reactions (HER and OER, respectively) simultaneously with lar...

Read More »
Two electron utilization of methyl viologen anolyte in nonaqueous organic redox flow battery

Two electron utilization of methyl viologen anolyte in nonaqueous organic redox flow battery

03/02/2018

Methyl viologen (MV) as a bench-mark anolyte material has been frequently applied in aqueous organic redox flow batteries (AORFBs) towards large-scale renewable energy storage. However, only the first reduction of MV was utilized in aqueous electrolytes b...

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A sulfonate-functionalized viologen enabling neutral cation exchange, aqueous organic redox flow batteries toward renewable energy storage

A sulfonate-functionalized viologen enabling neutral cation exchange, aqueous organic redox flow batteries toward renewable energy storage

02/13/2018

Camden DeBruler, Bo Hu, Jared Moss, Jian Luo, and T. Leo Liu: Redox flow batteries using synthetically tunable and resource abundant organic molecules have gained increasing attention for large-scale energy storage. Herein we report a sulfonate-functional...

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Mechanism of N2 reduction catalyzed by Fe-nitrogenase involves reductive elimination of H2

Mechanism of N2 reduction catalyzed by Fe-nitrogenase involves reductive elimination of H2

02/01/2018

Derek F. Harris, Dmitriy A. Lukoyanov, Sudipta Shaw, Phil Compton, Monika Tokmina-Lukaszewska, Brian Bothner, Neil Kelleher, Dennis R. Dean, Brian M. Hoffman, and Lance C. Seefeldt: Of the three forms of nitrogenase (Mo-nitrogenase, V-nitrogenase, and Fe-...

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One-step synthesis of carbohydrate esters as antibacterial and antifungal agents

One-step synthesis of carbohydrate esters as antibacterial and antifungal agents

02/01/2018

Madher N. AlFindee, Qian Zhang, Yagya Prasad Subedi, Jaya P. Shrestha, Yukie Kawasaki, Michelle Grilley, Jon Y. Takemoto, Cheng-Wei Tom Chang: Carbohydrate esters are biodegradable, and the degraded adducts are naturally occurring carbohydrates and fatty

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Aerogen bonds formed between AeOF2 (Ae = Kr, Xe) and diazines: comparisons between r-hole and p-hole complexes†

Aerogen bonds formed between AeOF2 (Ae = Kr, Xe) and diazines: comparisons between r-hole and p-hole complexes†

01/10/2018

Wiktor Zierkiewicz, Mariusz Michalczyka and Steve Scheiner: The interaction between KrOF2 or XeOF2 and the 1,2, 1,3, and 1,4 diazines is characterized chiefly by a Kr/XeN aerogen bond, as deduced from ab initio calculations. The most stable dimers take ad...

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Designer two-electron storage viologen anolyte materials for neutral aqueous organic redox flow batteries

Designer two-electron storage viologen anolyte materials for neutral aqueous organic redox flow batteries

12/14/2017

Aqueous organic redox flow batteries (AORFBs) are highly attractive for large-scale energy storage because redox-active organic molecules are synthetically tunable, sustainable, and potentially low cost. Here, we show that rational molecular engineering y...

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An H2S-sensing/CO-releasing flavonol that operates via logic gates

An H2S-sensing/CO-releasing flavonol that operates via logic gates

12/13/2017

Tatiana Soboleva, Abby D. Benninghoff, and Lisa M. Berreau: Signaling molecules, including H2S and CO, are involved in a complex interplay within cells to maintain cellular homeostasis. In order to investigate the intracellular interplay of different gaso...

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Suppression of wheat Fusarium head blight by novel amphiphilic aminoglycoside fungicide K20

Suppression of wheat Fusarium head blight by novel amphiphilic aminoglycoside fungicide K20

12/01/2017

Jon Y. Takemoto, Stephen N. Wegulo, Gary Y. Yuen, Julie A. Stevens, Charlene C. Jochum, Cheng-Wei T. Chang, Yukie Kawasaki, Gene W. Miller: K20 is a novel amphiphilic aminoglycoside capable of inhibiting many fungal species. K20's capabilities to inhibit

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Dirac cones in two-dimensional borane

Dirac cones in two-dimensional borane

11/28/2017

Miguel Martinez-Canales, Timur R. Galeev, Alexander I. Boldyrev, and Chris J. Pickard: We introduce two-dimensional borane, a single-layered material of BH stoichiometry, with promising electronic properties. We show that, according to Density Functional

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Deoxycholate-enhanced shigella virulence Is regulated by a rare π-Helix in the type three secretion system tip protein IpaD

Deoxycholate-enhanced shigella virulence Is regulated by a rare π-Helix in the type three secretion system tip protein IpaD

11/14/2017

Abram R. Bernard, T. Carson Jessop, Prashant Kumar, and Nicholas E. Dickenson: Type three secretion systems (T3SS) are specialized nanomachines that support infection by injecting bacterial proteins directly into host cells. The Shigella T3SS has uniquely...

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Conformational dynamics of DNA binding and Cas3 recruitment by the CRISPR RNA-guided cascade complex

Conformational dynamics of DNA binding and Cas3 recruitment by the CRISPR RNA-guided cascade complex

10/16/2017

Paul B. G. van Erp, Angela Patterson, Ravi Kant, Luke Berry, Sarah M. Golden, Brittney L. Forsman, Joshua Carter, Ryan N. Jackson, Brian Bothner, and Blake Wiedenheft: Bacteria and archaea rely on CRISPR (clustered regularly interspaced short palindromic

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Understanding and Predicting the Fate of Semivolatile Organic Pesticides in a Glacier-Fed Lake Using a Multimedia Chemical Fate Model

Understanding and Predicting the Fate of Semivolatile Organic Pesticides in a Glacier-Fed Lake Using a Multimedia Chemical Fate Model

09/19/2017

Xiaolin Wu, Cleo L. Davie-Martin, Christine Steinlin, Kimberly J. Hageman, Nicolas J. Cullen, and Christian Bogdal: Melting glaciers release previously ice-entrapped chemicals to the surrounding environment. As glacier melting accelerates under future cli...

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A bipyridine-ligated zinc(II) complex with bridging flavonolate ligation: synthesis, characterization, and visible-light-induced CO release reactivity

A bipyridine-ligated zinc(II) complex with bridging flavonolate ligation: synthesis, characterization, and visible-light-induced CO release reactivity

09/01/2017

Shayne Sorenson, Marina Popova, Atta M. Arifb and Lisa M. Berreau: Metal–flavonolate compounds are of significant current inter­est as synthetic models for quercetinase enzymes and as bioactive compounds of importance to human health. Zinc–3-hy­droxy­fla

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Universal interrelation between measures of particle and polymer size

Universal interrelation between measures of particle and polymer size

07/06/2017

F. Vargas-Lara, M.L. Mansfield, J.F. Douglas: This paper explores interrelationships between the intrinsic viscosity, the hydrodynamic (or Stokes) radius, and the radius of gyration of polymers and particles.

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Transition states and control of substrate preference in the promiscuous phosphatase PP1

Transition states and control of substrate preference in the promiscuous phosphatase PP1

07/05/2017

Yuan Chu, Nicholas H. Williams, and Alvan C. Hengge : Catalytically promiscuous enzymes are an attractive frontier for biochemistry, because enzyme promiscuities not only plausibly explain enzyme evolution through the mechanism of ge...

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Effects of molecular structure and solvent polarity on adsorption of carboxylic anchoring dyes onto TiO2 particles in aprotic solvents

Effects of molecular structure and solvent polarity on adsorption of carboxylic anchoring dyes onto TiO2 particles in aprotic solvents

06/24/2017

Hui Fang, Bolei Xu, Xia Li, Danielle L. Kuhn, Zander Zachary, Guocai Tian, Victoria Chen, Rosa Chu∥, Brendan G. DeLacy, Yi Rao , and Hai-Lung Dai: Interactions of molecules with the surface of TiO2 particles are of fundamental and technological importance...

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Conformational regulation of CRISPR-associated nucleases

Conformational regulation of CRISPR-associated nucleases

06/15/2017

Jackson, R., van Erp, P.B, Sternberg, S.H, Wiedenheft, B.: Adaptive immune systems in bacteria and archaea rely on small CRISPR-derived RNAs (crRNAs) to guide specialized nucleases to foreign nucleic acids. The activation of these nucleases is controlled

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Detection and quantification of gas-phase oxidized mercury compounds by GC/MS

Detection and quantification of gas-phase oxidized mercury compounds by GC/MS

05/18/2017

Jones C.P., Lyman S.N., Jaffe D.A., Allen T., O’Neil T.L.: Most mercury pollution is emitted to the atmosphere, and the location and bioavailability of deposited mercury largely depends on poorly understood atmospheric chemical reactions that convert elem...

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Quantification of low molecular weight n-alkanes in lake sediment cores for paleoclimate studies

Quantification of low molecular weight n-alkanes in lake sediment cores for paleoclimate studies

05/16/2017

Aebig, C.H.F., Curtin, L., Hageman, K.J., Moy, C.M., Beltran, C.: Organic biomarkers, such as n-alkanes, can be used as proxies in a range of paleoclimate and paleoenvironmental investigations. n-Alkanes accumulate in lacustrine sediments and can therefor...

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A stable compound of helium and sodium at high pressure

A stable compound of helium and sodium at high pressure

02/06/2017

Xiao Dong, Artem R. Oganov, Alexander F. Goncharov, Elissaios Stavrou, Sergey Lobanov, Gabriele Saleh, Guang-Rui Qian, Qiang Zhu, Carlo Gatti, Volker L. Deringer, Richard Dronskowski, Xiang-Feng Zhou, Vitali B. Prakapenka, Zuzana Konôpková, Ivan A. Popov,...

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Thermal and elastic characterization of glassy carbon thin films by photoacoustic measurements

Thermal and elastic characterization of glassy carbon thin films by photoacoustic measurements

01/23/2017

D.D. Markushev, J. Ordonez-Miranda, M.D. Rabasovi´c, M. Chirtoc, D.M. Todorovi´c, S.E. Bialkowski, D. Korte, and M. Franko: A portable photoacoustic device is designed and applied to measure thermal diffusivity and linear thermal expansion coefficient of

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External stimuli responsive 2D charge transfer polymers

External stimuli responsive 2D charge transfer polymers

01/23/2017

Zhuolei Zhang, Beibei Xu, Bolei Xu, Lei Jin, Hai-Lung Dai, Yi Rao, Shenqiang Ren: 2D conjugated charge-transfer polymers hold the fundamental importance of both atomically defined molecular structures and unique spatial confinement for distinctive and exo...

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