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Development of free energy methods to study wetting behavior with molecular dynamics
(State University of New York at Buffalo, 2018)
This dissertation focuses on developing molecular simulation methods to understand the wetting behavior of fluids. Within our group, we have developed an interface potential based approach for determining the interfacial ...
Interfacial Properties of Carbon Dioxide–Water–Silica from Expanded Ensemble Monte Carlo Simulations
(State University of New York at Buffalo, 2018)
This dissertation demonstrates the use of expanded ensemble Monte Carlo simulations to compute the bulk phase coexistence conditions of CO2–H2O mixtures and the interfacial properties of these mixtures over model silica ...
Amphiphiles at Interfaces: Fundamentals and Applications in Dispersions
(State University of New York at Buffalo, 2019)
The nanoscale organization of nonionic amphiphilic molecules in bulk aqueous solution and on interfaces leads to unique micro- and macroscopic material properties beneficial to a variety of applications and industries. A ...
Boron, Boron Hyperdoped Silicon and Silicon Nanoparticle Synthesis by Laser Pyrolysis with Applications in Energy Storage
(State University of New York at Buffalo, 2018)
This dissertation presents three examples of how laser pyrolysis synthesis can be used to develop new nanomaterials for energy applications. In the first chapter, we will discuss synthesis, characterization and application ...
Metabolic and Process Engineering of the Siderophore Yersiniabactin for Advanced Characterization and Application
(State University of New York at Buffalo, 2019)
In the first chapter heterologous biosynthesis is introduced as a means to produce novel compounds with therapeutic value. Flux balance analysis is introduced as a way to computationally predict the effect of metabolic ...
Optimized Engineering Platform for the Generation of Recycling Therapeutic Antibodies
(State University of New York at Buffalo, 2019)
A new modality in antibody engineering has emerged in which the antigen affinity is designed to be pH dependent (PHD). In particular, the combination of high affinity binding at neutral pH with low affinity binding at ...
Atomically Dispersed Iron Catalysts for Oxygen Reduction and Carbon Dioxide Reduction Reactions
(State University of New York at Buffalo, 2019)
The transition from non-renewable energy to renewable energy has driven the development of polymer electrolyte fuel cells (PEFCs) using hydrogen fuels to power vehicles free from emissions for sustainable future. However, ...
Advanced Solubility Selective Membrane Materials for CO2 Separation from Light Gases
(State University of New York at Buffalo, 2019)
Membranes offer an alternative approach for CO2 capture from coal power plants due to their high energy efficiency, small footprint, and simplicity of operation. In contrast to amine absorption technology (which is mature ...
Design, Synthesis, and Evaluation of Biodegradable Polymeric Nano-Carriers for Biomedical Applications
(State University of New York at Buffalo, 2019)
Biodegradable polymers have attracted significant attention in the recent years because of their important biomedical applications in tissue engineering, drug delivery, gene delivery, and various biomedical devices. In ...
Polymer Nanostructures for Cancer Imaging and Therapy
(State University of New York at Buffalo, 2018)
Polymer nanostructures are promising carriers of diagnostic and/or therapeutic agents for cancer imaging and/or therapy. This dissertation presents five different novel polymer nanostructures, including polymer nanocapsules, ...