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Molecular Dynamics Simulations Of Interaction Of Dna Nucleotides And Lignin Oligomers With Small Molecules And Interfaces, Xinjie Tong
LSU Doctoral Dissertations
Molecular dynamics (MD) simulations of interaction of DNA nucleotides with self-assembled monolayers (SAMs) provide valuable information that is critical to the development of a new DNA sequencing technique. We investigated the interactions and transport characteristics of mononucleotides moving through nanoslits with SAMs-covered surfaces. Our simulations focused on nanoslits in which the walls were composed of three different types of SAMs: methylformyl terminated, methyl terminated, and phenoxy terminated. The results demonstrated that the phenoxy terminated surfaces have the shortest required nanoslits length for nucleotides separation.
Using MD simulations, we also investigated the interaction of mono-lignin and oligo-lignols with lipid bilayers and …
Lignin-Derived Carbon And Nanocomposite Materials For Energy Storage Applications, Wenqi Li
Lignin-Derived Carbon And Nanocomposite Materials For Energy Storage Applications, Wenqi Li
Theses and Dissertations--Biosystems and Agricultural Engineering
With a growing demand for electrical energy storage materials, lignin-derived carbon materials have received increasing attention in recent years. As a highly abundant renewable carbon source, lignin can be converted to a variety of advanced carbon materials with tailorable chemical, structural, mechanical and electrochemical properties through thermochemical conversion (e.g. pyrolysis). However, the non-uniformity in lignin structure, composition, inter-unit linkages and reactivity of diverse lignin sources greatly influence lignin fractionation from plant biomass, the pyrolysis chemistry, and property of the resulting carbon materials.
To introduce a better use of lignocellulosic biomass to biofuels and co-products, it is necessary to find novel …