Linear and non-linear vibrational spectroscopy provides a powerful tool to probe the structure and conformational dynamics of nucleic acids. In the first part of my talk, I will describe our recent progress on the modeling of vibrational spectra of nucleic acids. We have developed vibrational frequency maps and coupling models that allow one to calculate the vibrational Hamiltonian, and thus the vibrational spectra, of nucleic acids in the base carbonyl stretch region directly from MD simulations.
Abstract: Cell heterogeneity plays a critical role in many pathophysiological processes such as cancer development and neurodegeneration. However, phenotypic variations of individual cells in a complex organ are often intractable by traditional analytical techniques. The main obstacles are the limited amount of analytes in a single cell and the need for noninvasive in situ analysis in order to preserve cell function and microenvironmental information.
Abstract: The research aimed at understanding of electrochemical interfaces will be presented, along with its impact on the design and synthesis of materials that are employed in electrochemical systems for energy conversion and storage. The key physical parameters that are responsible for functional properties of solid-aqueous, solid-organic and solid-solid electrochemical interfaces will be discussed.
In this talk, I will discuss some of our recent efforts to understand how simple reactions that rearrange charge are altered when embedded in complex, fluctuating environments. In the first part, I show how liquid-vapor interfaces can modulate aqueous chemistry. Specifically, I will discuss how the facile charge separation of N2O5 occurring via interfacial hydrolysis leads to efficient gaseous uptake into aqueous atmospheric aerosols, offering an irreversible sink of NOx compounds in the nighttime air.
Electrochemical synthesis is a powerful tool for formulating functional materials and molecules because it offers an additional level of control over the synthesis relative to its chemical counterpart by fine-tuning mass transfer, potential, or current.
The quantum light-matter interactions between the molecule and the quantized radiation mode inside an optical cavity create a set of hybridized electronic-photonic states, so-called polaritons, opening up new possibilities to control chemical reactions by exploiting intrinsic quantum behaviors of light-matter interactions.
In this talk, I'll present our recent investigations on new chemical reactivities enabled by cavity quantum electrodynamics and demonstrate detailed mechanisms of how quantized light-matter interactions can change the outcomes of chemical reactions.