Tags: Special Seminar


Theoretical & Experimental Studies of Small Molecules in Helium Nanodroplets: Anharmonic Modeling and Infrared Spectroscopy

Theoretical & Experimental Studies of Small Molecules in Helium Nanodroplets: Anharmonic Modeling and Infrared Spectroscopy Peter R. Franke and Gary E. Douberly Various small, organic molecules of interest to atmospheric and combustion chemistry are interrogated with infrared action spectroscopy and ab inito computations. Molecules are solvated by helium nanodroplets, at temperatures of 0.4 K, and their mid-infrared spectra are measured with…


TBA


Elucidating Protein Structure with Covalent Labeling and Unique Mass Spectrometry Approaches

The conformation and post-translational modification (PTM) of a protein is critically important to its function. Mass spectrometry has been increasingly utilized to analyze both of these attributes. Acidic PTMs, like phosphorylation and sulfation however, present significant obstacles to analysis. Here, I present a series of techniques to overcome these issues and improve the annotation of these vital modifications. Lastly, I discuss the use of…


Receptor-Doped Supramolecular Ion Sensors: From Point-of-Care Diagnostics to New Tools for Studying Neurotransmission

Sensing of ions is an integral part in bioanalysis and in the management of healthcare, water, the environment, and a range of industrial activities (e.g., agriculture and food processing). Traditionally, ion sensing was performed by sending samples to central test laboratories. Once the analysis is performed by the technician, the results are reported back to the customer or the healthcare provider. This process is time consuming and impedes…


Dual Metal Strategies for Catalytic C–C Bond Formation


Enhancing the dimensionality of lipidomics analyses for studies of antibiotic resistance


From a Malaria Vaccine to a Cancer Treatment


Enabling Bioanalytical Microfluidics for Precision Cancer Diagnostics


Testing the Predictive Power of Theory for Determining the Activity of Nanoparticle Catalysts

An emerging strategy for discovering the next generation of catalysts involves utilizing high-level computational methods to predict and screen structure/function relationships. Effective comparison of theory and experiment requires that the theoretical and experimental models map onto one another perfectly. We use novel synthetic methods, advanced characterization techniques, and density functional theory calculations to approach this ideal. In…


Density Cumulant Theory: Methods, Benchmarks, and New Directions

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