Browsing by Department "Chemistry"
Now showing items 1-20 of 273
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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 Model Elastomer with Modular Metal-Ligand Crosslinking
(2022)Metallosupramolecular polymers are increasingly of interest for functional and degradable polymeric materials. In these materials, the metal-ligand bonds often bear an external mechanical load, but little is yet understood ... -
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 ... -
Advances in Selectivity of the Suzuki-Miyaura and Hofmann-Löffler-Freytag Reactions
(2019)The design of synthetic transformations that proceed selectively in the presence of multiple sites of similar chemical reactivity has been a long-standing challenge. Cross-coupling and C–H functionalization processes have ... -
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 ... -
Biological Charge Transfer in Redox Regulation and Signaling
(2020)Biological signaling via DNA-mediated charge transfer between high-potential [4Fe4S]2+/3+ clusters is widely discussed in the literature. Recently, it was proposed that for DNA replication on the lagging strand, primer handover ... -
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 ... -
Biosynthetic and Chemical Investigation of Lipid II-Binding Antimicrobials.
(2021)Natural products belonging to the lipid II-binding family act as potent antimicrobial agents by disrupting cell wall biosynthesis via sequestering the late-stage intermediate lipid II. However, the emergence of resistance ... -
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 ... -
Bridging Molecular Mechanochemistry and Network Fracture Mechanics
(2022)The fracture of polymer networks is usually perceived macroscopically and is considered as a mechanical engineering problem. However, to advance a crack in a polymer network, lots of polymer strands that bridge the crack ...
