Chemistry (Scholarly Publications): Recent submissions
Now showing items 241-260 of 931
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Oxo-Free Hydrocarbon Oxidation by an Iron(III)-Isoporphyrin Complex
(2020)Metal-halides that perform proton coupled electron-transfer (PCET) oxidation are an important new class of high-valent oxidant. In investigating metal-dihalides, we reacted [FeIII(Cl)(T(OMe)PP)] (1, T(OMe)PP = meso-tetra ... -
Insights into the oxygen vacancy filling mechanism in CuO/CeO2 catalysts: A key step toward high selectivity in preferential CO oxidation
(2020)The preferential CO oxidation (CO-PROX) reaction is paramount for the purification of reformate H2-rich streams, where CuO/CeO2 catalysts show promising opportunities. This work sheds light on the lattice oxygen recovery ... -
Selective high-temperature CO2 electrolysis enabled by oxidized carbon intermediates
(2019)High-temperature CO2 electrolysers offer exceptionally efficient storage of renewable electricity in the form of CO and other chemical fuels, but conventional electrodes catalyse destructive carbon deposition. Ceria catalysts ... -
Discerning activity and inactivity in earth-abundant molecular oxygen evolution catalysts
(2020)Most computational studies on the oxygen evolution reaction (OER) focus on systems which are known to catalyze this process experimentally. This work computationally examines a number of earth‐abundant metal (M=Mn, Fe, Co, ... -
Mechanistic insights into heterogeneous methane activation
(2017)While natural gas is an abundant chemical fuel, its low volumetric energy density has prompted a search for catalysts able to transform methane into more useful chemicals. This search has often been aided through the use ... -
Two-dimensional materials as catalysts for energy conversion
(2016)Although large efforts have been dedicated to studying two-dimensional materials for catalysis, a rationalization of the associated trends in their intrinsic activity has so far been elusive. In the present work we employ ... -
Synthetic approaches to metallo-supramolecular Co(II) polygons and potential use for H2O oxidation
(2020)Metal-directed self-assembly has been applied to prepare supramolecular coordination polygons which adopt tetrahedral (1) or trigonal disklike topologies (2). In the solid state, 2 assembles into a stable halide–metal–organic ... -
Cobalt-catalyzed ammonia borane dehydrogenation: Mechanistic insight and isolation of a cobalt hydride-amidoborane complex
(2020)A Co(I) complex featuring the electron-rich monoanionic bis(carbene) aryl pincer ligand (MesCCC) (MesCCC = bis(2,4,6-trimethylphenyl-benzimidazol-2-ylidene)phenyl), (MesCCC)Co-py (1), was found to catalytically dehydrogenate ... -
Effect of chiral ligand concentration and binding mode on chiroptical activity of CdSe/CdS quantum dots
(2019)Chiroptically active fluorescent semiconductor nanocrystals, quantum dots (QDs), are of high interest from a theoretical and technological point of view, because they are promising candidates for a range of potential ... -
Determination of spiropyran cytotoxicity by high content screening and analysis for safe application in bionanosensing
(2010)The in vitro toxic response of spiropyrans in cellular models has not been previously addressed, despite the fact that such photoswitchable molecules have shown great potential as versatile and tunable components for ... -
Direct Laser Writing to Generate Molds for Polymer Nanopillar Replication
(2020)Herein we exploit direct laser writing as a means to fabricate negative masters for the generation of polymeric nanopillars, via replica molding. Through optimization of design parameters, fabrication configuration, and ... -
Direct Laser Writing of Four-Dimensional Structural Color Microactuators Using a Photonic Photoresist
(2020)With the advent of direct laser writing using two-photon polymerization, the generation of high-resolution three-dimensional microstructures has increased dramatically. However, the development of stimuli-responsive ... -
The Resistance of Cu Nanowire-Nanowire Junctions & Electro-Optical Modeling of Cu Nanowire Networks
(2020)Flexible transparent conductors made from networks of metallic nanowires are a potential replacement for conventional, non-flexible, and transparent conducting materials such as indium tin oxide. Cu nanowires are particularly ... -
Bioinspired electro-permeable glycans on carbon: Fouling control for sensing in complex matrices
(2020)The effect of glycan adlayers on the electrochemical response of glassy carbon electrodes was studied using standard redox probes and complex aqueous matrices. Aryldiazonium cations of aryl-lactoside precursors were used ... -
Stable hydrophilic poly(dimethylsiloxane) via glycan surface functionalization
(2016)Polydimethylsiloxane (PDMS) is an extremely important and versatile polymeric material for biomedical and microfluidic devices due to a range of desirable properties. Control of the hydrophilicity of PDMS surfaces is of ... -
Heterogeneous Charge Transfer at the Amorphous Carbon/Solution Interface: Effect on the Spontaneous Attachment of Aryldiazonium Salts
(2013)The chemisorption of aryldiazonium salts is one of the most versatile reactions for the modification of carbon surfaces; in this work we investigated the spontaneous chemisorption of aryldiazonium salts at ... -
Carbohydrate Coatings via Aryldiazonium Chemistry for Surface Biomimicry
(2013)Carbohydrates are extremely important biomolecules and their immobilization onto solid surfaces is of interest for the development of new biomimetic materials and of new methods for understanding processes in glycobiology. ... -
Electroless deposition and characterization of Fe/FeOx nanoparticles on porous carbon microspheres: structure and surface reactivity
(2013)There has been great interest in synthetic methods that yield supported iron and iron oxide nanoparticles in order to prevent aggregation and improve their transport properties, handling and surface reactivity. In this ... -
Development of the first model of a phosphorylated, ATP/Mg2+-containing B-Raf monomer by molecular dynamics simulations: A tool for structure-based design
(2017)A model of phosphorylated and ATP-containing B-Raf protein kinase is needed as a tool for the structure-based design of new allosteric inhibitors, since no crystal structure of such a system has been resolved. Here, we ... -
A DFT mechanistic study of the organocatalytic asymmetric reaction of aldehydes and homophthalic anhydride
(2017)The first DFT study of the cycloaddition of benzaldehyde with homophthalic anhydride under the influence of a bifunctional organocatalyst is reported. The catalyst first binds and then deprotonates the anhydride, leading ...
