Excitation of Molecules Using Scanning Tunneling Microscopy

Scanning Tunneling Microscopy (STM) has been a powerful method of imaging surfaces with very high spatial resolution. Another important use of STM is the study of molecular reaction pathways brought about by inelastic electron tunneling. In this process, tunneling electrons containing energy above a threshold bring about an excitation in the molecular system which leads to reaction pathways as the excited molecule consequently relaxes along its potential energy surface.

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Mechanistic Insights into Acetyl CoA Synthase from Nickel-Substituted Azurin

CO dehydrogenase (CODH) and Acetyl CoA synthase (ACS) belong to the ancient Wood-Ljungdhal pathway, widely speculated to have been the first metabolic pathway to develop in the earliest lifeforms. Early life forms were strictly anaerobic and this metabolic pathway allowed those organisms to grow solely on CO and CO2. CODH first catalyzes the reversible reduction of CO2 to CO.

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Ab Initio Free Energy Simulations with Chemical Accuracy: Adsorption and Catalysis in Nanoporous Materials

The design of improved nanoporous materials, such as MOFs for water harvesting and carbon capture and zeolites for hydrocarbon synthesis and conversion, requires the reliable prediction of rate and equilibrium constants, i.e. free energies, for adsorption/desorption and elementary reaction steps with no other input than the atomic positions. To be relevant, predictions have to be made with an accuracy that is comparable to experiment. 

Processes That Govern the Direct and Indirect Climate Effects of Carbonaceous Aerosol from Biomass Burning and Plastic Pollution

The Schnitzler research group focuses on the fate and impact of carbonaceous aerosols, nanoparticles suspended in air, generated from biomass burning and plastic pollution. These particles impact climate directly by interacting with solar and terrestrial radiation and indirectly by altering cloud formation and properties. Due to their small dimensions, these particles can stay suspended in the atmosphere for a week or two, during which time their interactions with light and water can change.

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Using Ion Mobility Mass Spectrometry to Determine the Stereochemistry of Biopolymer Building Blocks

Amino acids and carbohydrates are involved in many biological process which are critical in determining their accurate characterization. These monosaccharide percussors are fundamental building blocks to their functionality such as cell-cell recognition, cellular adhesion, protein folding and solubility, metabolism, and immune/host pathogen response. All amino acids, except glycine, exist in two stereochemical forms, with the L-form being most common in nature. These precursors can have multiple structures that can make their characterization complex.

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