Molecular Approaches to Advancing 2D Conductive MOFs for Tailored Properties and Applications

Abstract: 2D electrically conductive metal-organic frameworks (EC-MOFs) represent a distinctive class of porous electronic materials with significant potential in applications ranging from energy storage to advanced electronics. However, their broader impact has been limited by the constrained diversity of structural motifs and chemical functionalities. In this talk, I will present our research efforts demonstrating how molecular approaches drive the advancement of EC-MOFs by tailoring their electronic properties and functionalities.

Studies of Voltage-gated Sodium Channels & Bioelectricity: Opportunities and Challenges for Chemistry

Abstract: The Du Bois lab is interested in the molecular physiology of sodium channels in electrogenesis and nociception, work that may ultimately inform the development of new analgesic medicines. Our studies rely on molecular biology and electrophysiology to measure ionic currents in cells and capitalize on the availability of potent neurotoxins and derivatives thereof as selective reagents for manipulating channel function.

Modeling Studies of Mononuclear Copper Active Sites in Copper Monooxygenases

Abstract: Copper complexes of the active-oxygen species such as superoxide, peroxide, and oxyl have been invoked as the key reactive intermediates not only in a variety of biological oxidation and oxygenation reactions but also in the copper-catalyzed oxidation reactions in synthetic organic chemistry and catalytic oxidation chemistry. In this seminar, our efforts to develop structural and functional models of mononuclear copper reaction centers of copper monooxygenases will be introduced. The topics are as follows.

Accelerating the Computational Design of Functional Organic Molecules and Polymers

Abstract: Functional materials design often requires that the desired molecules (or materials) simultaneously satisfy multiple desired properties, such as electrochemical properties, stability, and synthetic accessibility. This talk will discuss several strategies we have developed for efficiently navigating chemical space and accelerating the inverse design of new functional organic molecules and materials, and the physical insights we gain during their design and deployment.

Organic Syntheses Lecture: Synthetic Strategies via Photoreductive Activation of Energy Demanding Bonds

Abstract: The reductive activation of organic molecules through single electron transfer (SET) is routinely deployed in diverse synthetic settings. Conventional single-electron reductants, such as samarium diiodide (SmI2) or dissolving metals, are predominantly deployed (super)stoichiometrically. Within the context of catalytic approaches enabling the controlled one-electron reduction of common functional groups or inert bonds, photoredox catalysis provides an intuitive strategy to generate potent SET reductants that can activate challenging substrates.

Harnessing static and dynamic disorder for solid-state ion transport

Abstract: Mastery over solid-state ion transport is paramount for broad diversity of applications and technologies, including batteries, fuel cells, neuromorphic computing, and beyond. Disorder – both static and dynamic – plays a crucial role in dictating ion diffusion in the solid state. Our work seeks to understand and harness disorder across time and length scales to impact ion transport processes. The argyrodites Li6PS5X (X = Cl–, Br–, I–, CN–) are amenable to a large degree of both static and dynamic disorder that conspire to influence mobile ion dynamics.

Formation and dissociation of hydrocarbons under interstellar conditions

Abstract: Hydrocarbons of all shapes and sizes are found throughout the various stages of star- and planet formation. Recently, using radio astronomical observations, a variety of cyclic- and even polycyclic hydrocarbons have been detected in the very cold (10 K) Taurus molecular cloud. These detections challenge our understanding of the chemical formation mechanisms under these low-temperature and low-density conditions.

New Electron-Transfer Concepts in Organic Synthesis

Abstract: The Nacsa Group uses electron transfer techniques to address challenges in organic synthesis. Our lab works in two main areas. The first uses electrochemistry to develop new approaches for dehydration reactions, such as the synthesis of amides and esters from carboxylic acids, with an emphasis on catalysis. Dehydrative transformations are workhorse operations in pharmaceutical R&D, but owing to the wasteful reagents overwhelmingly used to accomplish them, industry has long called for methods that avoid these reagents.

Technoeconomic Assessment of New Sorbents and Processes for Point Source CO2 Capture

Abstract: Hard-to-decarbonize industrial activity is expected to account for much of the world’s emissions in 2050.1 Carbon capture is one of several technologies that can help limit the emissions from these sectors. While there are carbon capture plants operating today, new technologies continue to be developed and must be assessed for both technical and economic viability. In this talk, I will discuss our efforts in assessing novel sorbents and electrochemical processes for CO2.

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