Browsing by Subject "Chemistry, Physical"
Now showing items 1-20 of 25
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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 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 ... -
Computational Study of Low-friction Quasicrystalline Coatings via Simulations of Thin Film Growth of Hydrocarbons and Rare Gases
(2008-04-25)Quasicrystalline compounds (QC) have been shown to have lower friction compared to other structures of the same constituents. The abscence of structural interlocking when two QC surfaces slide against one another yields ... -
Development of Novel Physical Methods to Enhance Contrast and Sensitivity in Magnetic Resonance Imaging
(2010)The purpose of this thesis is to report technological developments in contrast mechanisms for MRI. The search for new forms of contrast is on-going, with the hope that new contrast mechanisms and new contrast agents will ... -
Gardner physics in amorphous solids and beyond.
(The Journal of chemical physics, 2019-07)One of the most remarkable predictions to emerge out of the exact infinite-dimensional solution of the glass problem is the Gardner transition. Although this transition was first theoretically proposed a generation ago for ... -
Importance of diameter control on selective synthesis of semiconducting single-walled carbon nanotubes.
(ACS nano, 2014-08-11)The coexistence of semiconducting and metallic single-walled carbon nanotubes (SWNTs) during synthesis is one of the major bottlenecks that prevent their broad application for the next-generation nanoelectronics. Herein, ... -
Influence of humidity on tribo-electric charging and segregation in shaken granular media.
(Soft matter, 2017-01)We study the effect of humidity on the charge accumulation of polymer granulates shaken vertically in a stainless steel container. This setup allows us to control the humidity level from 5% to 100%RH while performing automated ... -
Measuring the configurational temperature of a binary disc packing.
(Soft matter, 2014-06)Jammed packings of granular materials differ from systems normally described by statistical mechanics in that they are athermal. In recent years a statistical mechanics of static granular media has emerged where the thermodynamic ... -
MINIMUM ENERGY AND STEEPEST DESCENT PATH ALGORITHMS FOR QM/MM APPLICATONS
(2007-07-18)A number of new methods are presented to determine the reaction path both for chemical systems where the transition state(TS) is known and for the more complicated case when only the endpoints are available. To determine ... -
Modifications of 2:1 clay minerals in a kaolinite-dominated Ultisol under changing land-use regimes
(Clays and Clay Minerals, 2018-02-01)© 2018, Clay Minerals Society. All rights reserved. Chemical denudation and chemical weathering rates vary under climatic, bedrock, biotic, and topographic conditions. Constraints for landscape evolution models must consider ... -
Molecular Design for Nonlinear Optical Materials and Molecular Interferometers Using Quantum Chemical Computations
(2009)Quantum chemical computations provide convenient and effective ways for molecular design using computers. In this dissertation, the molecular designs of optimal nonlinear optical (NLO) materials were investigated through ... -
New Approaches To Studying Non-Covalent Molecular Interactions In Nano-Confined Environments
(2010)The goal of this work is to develop novel molecular systems, functionalization techniques, and data collection routines with which to study the binding of immobilized cognate binding partners. Our ultimate goal is the routine ... -
Nitric Oxide in Health and Disease: Physiology, Pathophysiology, and Clinical Measurement
(2008-12-11)Red blood cell-dependent hypoxic vasodilation is largely mediated via the delivery of NO through S-nitrosohemoglobin (Hb-SNO). Hb-SNO is regulated through allosteric and redox mechanisms that are not well understood. Part ... -
Property Control of Single Walled Carbon Nanotubes and Their Devices
(2008-12-11)Controlling the properties of single walled carbon nanotubes (SWNTs) is the major challenge toward their future applications. This dissertation describes several contributions to this chanllenge. This dissertation begins ... -
Quantification of Mixed-Layer Clays in Multiple Saturation States Using NEWMOD2: Implications for the Potassium Uplift Hypothesis in the SE United States
(Clays and Clay Minerals, 2020-02-01)© 2020, The Clay Minerals Society. Quantification of mineral assemblages in near-surface Earth materials is a challenge because of the often abundant and highly variable crystalline and chemical nature of discrete clay minerals. ... -
Self-Assembling DNA templates for programmed artificial biomineralization
(Soft Matter, 2011-05-16)Complex materials with micron-scale dimensions and nanometre-scale feature resolution created via engineered DNA self-assembly represent an important new class of soft matter. These assemblies are increasingly being exploited ... -
Structural Tolerance Factor Approach to Defect-Resistant I<inf>2</inf>-II-IV-X<inf>4</inf> Semiconductor Design
(Chemistry of Materials, 2020-02-25)Copyright © 2020 American Chemical Society. Recent work on quaternary semiconductors Cu2BaSn(S,Se)4 and Ag2BaSnSe4 for photovoltaic and thermoelectric applications, respectively, has shown the promise of exploring the broader ... -
Structure and Morphology Control in Carbon Nanomaterials for Nanoelectronics and Hydrogen Storage
(2009)Carbon nanomaterials have a wide range of promising and exciting applications. One of the most heavily investigated carbon nanomaterial in recent history has been the carbon nanotube. The intense interest in carbon nanotubes ... -
Surface-enhanced Raman scattering nanosensors for in vivo detection of nucleic acid targets in a large animal model
(Nano Research, 2018-08-01)© 2018, Tsinghua University Press and Springer-Verlag GmbH Germany, part of Springer Nature. Although nanotechnology has led to important advances in in vitro diagnostics, the development of nanosensors for in vivo detection ... -
Synthesis and Mechanistic Study of Carbon Nanotubes and Tungsten Oxide Nanowires by Chemical Vapor Deposition Methods
(2007-09-28)Chemical vapor deposition (CVD) is a versatile method for material preparation. Materials from films to nanostructures can be obtained by tuning the parameters of the CVD method. In the field of one-dimensional nanostructures, ...
