Browsing by Department "Chemistry"
Now showing items 1-20 of 186
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3D Printable Lithium Ion Batteries and the Effect of Aspect Ratio of CuAg Nanowires on Graphite Anode Performance.
(2018)The majority of consumer electronic devices, electric vehicles, and aerospace electronics are powered by lithium ion batteries because of their high energy and power densities. Commercially available lithium ion batteries ... -
A Comparative Review of Computational Methods as Applied to Gold(I) Complexes and Mechanisms
(2016)In the last two decades, the field of homogeneous gold catalysis has been extremely active, growing at a rapid pace. Another rapidly-growing field—that of computational chemistry—has often been applied to the investigation ... -
A Covalent Modification Technique for Protein-Ligand Binding Analysis Using Mass Spectrometry-Based Proteomics Platforms
(2009)Currently there is a dearth of analytical techniques for studying protein-ligand interactions on the proteomic scale. Existing techniques, which rely on various calorimetry or spectroscopy methods, are limited in ... -
A Green Chemistry Analysis of Metal Complexes by MALDI-TOF
(2017-05-05)Matrix-Assisted Laser Desorption/Ionization (MALDI) is a type of ionization that is commonly used for the analysis of high molecular weight biological compounds, but has also been used for metal complex analysis. By combining ... -
A Symphony of Charge Transfer Theory, Conductive DNA Junction Modeling and Chemical Library Design
(2016)Biological electron transfer (ET) reactions are typically described in the framework of coherent two-state electron tunneling or multi-step hopping. Yet, these ET reactions may involve multiple redox cofactors in van der ... -
Accessing Long-lived Nuclear Spin States in Chemically Equivalent Spin Systems: Theory, Simulation, Experiment and Implication for Hyperpolarization
(2014)Recent work has shown that hyperpolarized magnetic resonance spectroscopy (HP-MRS) can trace in vivo metabolism of biomolecules and is therefore extremely promising for diagnostic imaging. The most severe challenge this ... -
Additive Engineering for High-Performance Perovskite Photovoltaics
(2018)Perovskite photovoltaics has attracted tremendous attention recently due to the advance in the device performance. However, it is still challenging to effectively commercialize the perovskite technology due to several issues ... -
Advances in Forces Fields for Small Molecules, Water and Proteins: from Polarization to Neural Network
(2018)Molecular dynamics (MD) simulations is an invaluable tool to investigate chemical and biological processes in atomic details. The accuracy of MD simulations strongly depends on underlying force fields. In conventional molecular ... -
An Umpolung Approach to the α-Functionalization of Ketones and Aldehydes
(2011)The α-alkylation of N-sulfonyl hydrazones via in situ-derived azoalkenes provides an umpolung approach to ketone α-alkylation that has considerable potential with regard to catalysis and the direct incorporation ... -
Application and Evaluation of a Chemical Modification- and Mass Spectrometry-Based Thermodynamic Assay for the Study of Protein-Ligand Interactions in Complex Mixtures
(2013)While a number of different proteomic, genomic, and computational approaches exist for the characterization of drug action, each of the experimental approaches developed to date has both strengths and weaknesses. Currently, ... -
Application of the Stability of Proteins from Rates of Oxidation Technique to the Analysis of Mouse Models of Aging and Parkinson's Disease
(2017)Recently, several mass spectrometry-based proteomics techniques have been developed for the large-scale analysis of thermodynamic measurements of protein stability. This has created the possibility of characterizing disease ... -
Applications of Photoemission Electron Microscopy to Melanin and Melanosomes
(2011)Melanin is a biological pigment that is ubiquitous in nature and generally produced within melanosomes, specialized organelles. Typically, melanin is categorized into two distinct classes, based on color and molecular precursor: ... -
Beyond A Simple Composite of Metal Oxide/Graphene/Carbon Nanotubes: Controlling Nanostructured Electrodes at Macroscopic Scale
(2014)The development of electronic textiles, which have many potential healthcare and consumer applications, is currently limited by a lack of energy storage that can be effectively incorporated into such devices while having ... -
Biophysical Investigations of Boranophosphate siRNA for Use in RNA Interference against Human Disease
(2009)This project is predicated on the ability of the boranophosphate modification of siRNA to increase its therapeutic applicability for gene silencing in in vitro and in vivo systems. It has been shown that the boranophosphate ... -
Boranophosphate-Modified Nucleic Acids as Biomolecular Probes: Synthesis, Substrate, and Antiviral Properties
(2011)In boranophosphate (BP) nucleotides, a borane (BH3) group is substituted for a non-bridging phosphoryl oxygen of a normal phosphate group, resulting in a class of modified isoelectronic DNA and RNA mimics that can modulate ... -
Carbon/Metal Oxide Composites and Their Application in Lithium-Ion Batteries
(2013)The first chapter introduces the background about energy storage and lithium ion battery. The concepts of graphene, carbon nanotube, and carbon aerogel were covered as well. Then powder-based ... -
Characterization and Applications of Force-induced Reactions
(2015)Just as heat, light and electricity do, mechanical forces can also stimulate reactions. Conventionally, these processes - known as mechanochemistry - were viewed as comprising only destructive events, such as bond scission ... -
Characterization of Metal Binding Peptides Derived from Copper Trafficking Proteins
(2010)Copper was first released into the environment as the result of the mass generation of oxygen from photosynthetic bacteria roughly 2.7 billion years ago. While it proved to be poisonous to early life on Earth, those that ... -
Characterizing the Mechanical Strengths of Chemical Bonds via Sonochemical Polymer Mechanochemistry
(2015)Mechanically induced chemical bond scission underlies the fracture and macroscopic failure of polymeric materials. Thus, the mechanical strength of scissile chemical bonds plays a role in material failure and in the mechanical ... -
Characterizing the Physiochemical Properties of Copper Chelating Agents: an Effort Towards Understanding their Antifungal Activity
(2015)An increase in drug-resistant infections and the paucity of new antibiotics present a major world health problem. Cryptococcus neoformans (C. neoformans) is an opportunistic fungal pathogen responsible for life-threatening ...
