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Bio-Electrocatalytic Conversion of Food Waste to Ethylene via Succinic Acid as the Central Intermediate
CM Pichler, S Bhattacharjee, E Lam, L Su, A Collauto, MM Roessler, SJ Cobb, VM Badiani, M Rahaman, E Reisner
Dec 12, 2022
Ethylene is an important feedstock in the chemical industry, but currently requires production from fossil resources. The electrocatalytic oxidative decarboxylation of succinic acid offers in principle an environmentally...
QM/MM simulations for methyl transfer in solution and catalysed by COMT
Sampling of structures from QM/MM molecular dynamics reveals distinct families of reactant-state conformers and yields kinetic isotope effects for reactions in enzyme active sites and in solution, averaged over thermal...
QM/MM simulations for methyl transfer in solution and catalysed by COMT
Sampling of structures from QM/MM molecular dynamics reveals distinct families of reactant-state conformers and yields kinetic isotope effects for reactions in enzyme active sites and in solution, averaged over thermal...
QM/MM kinetic isotope effects for chloromethane hydrolysis in water
Computational simulations for chloromethane hydrolysis have been performed using hybrid quantum-mechanical/molecular-mechanical methods with explicit solvation by large numbers of water molecules. In the first part of the...
Using a chimeric respiratory chain and EPR spectroscopy to determine the origin of semiquinone species previously assigned to mitochondrial complex I.
BACKGROUND: For decades, semiquinone intermediates have been suggested to play an essential role in catalysis by one of the most enigmatic proton-pumping enzymes, respiratory complex I, and different mechanisms have been...
Measuring the Dust Masses of Protoplanetary Disks in Lupus with ALMA
Abstract
Accurate disk mass measurements are necessary to constrain disk evolution and the timescale of planet formation, but such measurements are difficult to make and are very...
QM/MM kinetic isotope effects for chloromethane hydrolysis in water
Computational simulations for chloromethane hydrolysis have been performed using hybrid quantum-mechanical/molecular-mechanical methods with explicit solvation by large numbers of water molecules. In the first part of the...
Using a chimeric respiratory chain and EPR spectroscopy to determine the origin of semiquinone species previously assigned to mitochondrial complex I
Abstract: Background: For decades, semiquinone intermediates have been suggested to play an essential role in catalysis by one of the most enigmatic proton-pumping enzymes, respiratory complex I, and different mechanisms have...
Using a chimeric respiratory chain and EPR spectroscopy to determine the origin of semiquinone species previously assigned to mitochondrial complex I
Abstract: Background: For decades, semiquinone intermediates have been suggested to play an essential role in catalysis by one of the most enigmatic proton-pumping enzymes, respiratory complex I, and different mechanisms have...
A Precious-Metal-Free Hybrid Electrolyzer for Alcohol Oxidation Coupled to CO2 -to-Syngas Conversion.
Mark A Bajada, Souvik Roy, Julien Warnan, Kaltum Abdiaziz, Andreas Wagner, Maxie M Roessler, Erwin Reisner
Apr 07, 2020
Electrolyzers combining CO2 reduction (CO2 R) with organic substrate oxidation can produce fuel and chemical feedstocks with a relatively low energy requirement when compared to systems that source electrons from water...
Computational mutagenesis reveals the role of active-site tyrosine in stabilising a boat conformation for the substrate
Molecular dynamics simulations have been performed for non-covalent complexes of phenyl beta-xylobioside with the retaining endo-beta-1,4-xylanase from B. circulans (BCX) and its Tyr69Phe mutant using a hybrid QM/MM methodology....
Computational mutagenesis reveals the role of active-site tyrosine in stabilising a boat conformation for the substrate
Molecular dynamics simulations have been performed for non-covalent complexes of phenyl beta-xylobioside with the retaining endo-beta-1,4-xylanase from B. circulans (BCX) and its Tyr69Phe mutant using a hybrid QM/MM methodology....
Sin, slave status, and the “city,” Zanzibar, 1865-c.1930
MM Greenfield-Liebst
Apr 20, 2017
The Universities’ Mission to Central Africa (UMCA) missionaries equated urbanity with moral contagion, to which those with slave status were especially vulnerable. To the ex-slaves who came into contact with the mission, the...
Developmentally arrested structures preceding cerebellar tumors in von Hippel-Lindau disease.
Sharon B Shively, Eric A Falke, Jie Li, Maxine GB Tran, Eli R Thompson, Patrick H Maxwell, Erich Roessler, Edward H Oldfield, Russell R Lonser, Alexander O Vortmeyer
Mar 19, 2019
There is increasing evidence that suggests that knockout of tumor-suppressor gene function causes developmental arrest and protraction of cellular differentiation. In the peripheral nervous system of patients with the...
Intracranial pressure in outer space
Mr Michael M. Tymko is funded by an NSERC CGS doctoral grant. Mr Lindsey M. Boulet is funded by an NSERC CGS master's grant. Dr Joseph Donnelly is funded by a Woolf Fisher Scholarship.
Spatially Resolved Operando Synchrotron-Based X-Ray Diffraction Measurements of Ni-Rich Cathodes for Li-Ion Batteries
Understanding the performance of commercially relevant cathode materials for lithium-ion (Li-ion) batteries is vital to realize the potential of high-capacity materials for automotive applications. Of particular interest...
Andrew Stephen Leach, Alice V Llewellyn, Chao Xu, Chun Tan, Thomas MM Heenan, Alex Dimitrijevic, Karin Kleiner, Clare P Grey, Dan JL Brett, Chiu C Tang, Paul R Shearing, Rhodri Jervis
Jan 28, 2022
Using Hyperfine Electron Paramagnetic Resonance Spectroscopy to Define the Proton-Coupled Electron Transfer Reaction at Fe-S Cluster N2 in Respiratory Complex I.
Nolwenn Le Breton, John J Wright, Andrew JY Jones, Enrico Salvadori, Hannah R Bridges, Judy Hirst, Maxie M Roessler
Jun 04, 2018
Energy-transducing respiratory complex I (NADH:ubiquinone oxidoreductase) is one of the largest and most complicated enzymes in mammalian cells. Here, we used hyperfine electron paramagnetic resonance (EPR) spectroscopic...
Are there species smaller than 1 mm?
The rapid advance in genetic sequencing technologies has provided an unprecedented amount of data on the biodiversity of meiofauna. It was hoped that these data would allow the identification and counting of species...
Are there species smaller than 1 mm?
The rapid advance in genetic sequencing technologies has provided an unprecedented amount of data on the biodiversity of meiofauna. It was hoped that these data would allow the identification and counting of species...
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