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Browsing by Subject "Chemistry"
Now showing items 1-20 of 220
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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 microscopic model of the Stokes-Einstein relation in arbitrary dimension.
(The Journal of chemical physics, 2018-06)The Stokes-Einstein relation (SER) is one of the most robust and widely employed results from the theory of liquids. Yet sizable deviations can be observed for self-solvation, which cannot be explained by the standard ... -
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 ... -
Active Surface Deformation Technology for Management of Marine Biofouling
(2016)Biofouling, the accumulation of biomolecules, cells, organisms and their deposits on submerged and implanted surfaces, is a ubiquitous problem across various human endeavors including maritime operations, medicine, food ... -
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 Real-time 3D Single Particle Tracking Microscopy for Particle-by-Particle In-Situ Characterization of the Nanoparticle Protein Corona
(2022)Single-molecule spectroscopic (SMS) measurements have revolutionized biological science due to their ability to directly observe exactly one molecule in the crowd. This single molecule observation removes the ensemble average, ... -
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 ... -
BigSMILES: A Structurally-Based Line Notation for Describing Macromolecules.
(ACS central science, 2019-09-12)Having a compact yet robust structurally based identifier or representation system is a key enabling factor for efficient sharing and dissemination of research results within the chemistry community, and such systems lay ... -
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 ... -
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 ... -
Challenges encountered during development of Mn porphyrin-based, potent redox-active drug and superoxide dismutase mimic, MnTnBuOE-2-PyP5+, and its alkoxyalkyl analogues
(JOURNAL OF INORGANIC BIOCHEMISTRY, 2017-04-01) -
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 ...
