Summer Research 2021 Poster Session
Summer 2021
Abstract: The prevalence of organic semiconductors (OSC) in the fields of nanotechnology and photovoltaics has been rapidly increasing for the past few years. Compared to their inorganic counterparts, organic semiconductors are generally cheaper to produce and structurally more flexible; however, it is essential to note that some of the most promising OSCs have decreased charge-carrier … Read more
Abstract: Ring-opening metathesis polymerization, or ROMP, is a reaction driven by the favorability of relieving ring strain which results in the opening of cyclic structures that contain an alkene. While ROMP has been used extensively to synthesize various types of polymers, there has been little exploration of cyclic alkenes containing vinyl sulfone derivatives. For this … Read more
Abstract: Polymers are very large molecules containing repeating subunits. Some examples of common synthetic polymers include nylon, polyethylene, polyester, teflon, and epoxy. Finding ways to recycle and reuse polymers is vital to the sustainability efforts involved in reducing the environmental impact of plastics used in mass production settings. Thermosets, which are networks of cross-linked polymers, … Read more
Abstract: My study draws on changes to a chromophore’s electron distribution (in the ground and excited states) effectiveness to its brightness. After the consumption of a photon, the atoms’ partial charges in DFHBI move. DFHBI is membrane permeable and nontoxic fluorogenic, which generates fluorescence upon binding. The DFHBI shows insignificant fluorescence in solution. Using existing … Read more
Abstract: Lignin is an organic polymer that makes up a large portion of the world’s biowaste. It is found linked to cellulose in plant cell walls and is a waste product of the pulp/paper industry. Although very abundant in the world, it is primarily used as a furnace fuel and converted directly into CO2. However, … Read more
Abstract: Current x-ray crystallography techniques used to image proteins represent molecules as rigid, single-state structures. While widely used and effective, these techniques fail to account for the molecular dynamics of protein solution states, which can obstruct complete understanding of protein function. Through Kinetic Ensemble Refinement, the molecular motion of protein structures can be captured as … Read more
Abstract: Allosteric long-range interactions which characterize the conformational and energetic dynamics of many protein systems such as PDZ-domain containing systems proves an important focus in many forms of molecular dynamics (MD) research for understanding the dynamics underlying protein interaction and potential drug delivery pathways. A sector-based analysis identifies a network of residues referred to as … Read more
Abstract: 1-iodopentane is one in a series of iodine-containing molecules the Novick Lab has studied. Iodine is a good substitute for xenon, being close in structure and significantly cheaper in cost. The quantity of electrons iodine possesses, however, poses a unique issue when simulating the molecule to determine its structure. Gaussian 16 Rev. C.01 simulations … Read more
Abstract: Our project is focused on the computationally-designed mini protein EHEE_rd2_0005. While the structure of this protein was previously determined in molecular dynamics simulations, structural knowledge derived from simulations are not as precise as real-world analysis. Members of our lab have previously attempted to obtain more accurate data with NMR spectroscopy but were unable to … Read more
Abstract: Proteins are crucial to the development of multicellular organisms. These microscopic machines serve a wide range of jobs—from transporting small molecules to catalyzing biochemical reactions. In recent years, advances in computational molecular modeling and knowledge of protein structure and function have significantly progressed to the point where we can now create artificial proteins. However, … Read more