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Using Atto Dyes To Probe The Photocatalytic Activity Of Au−Cds Nanoparticles, Ujjal Bhattacharjee, Long Men, Bryan A. Rosales, Samuel R. Alvarado, Javier Vela, Jacob W. Petrich 2017 Iowa State University

Using Atto Dyes To Probe The Photocatalytic Activity Of Au−Cds Nanoparticles, Ujjal Bhattacharjee, Long Men, Bryan A. Rosales, Samuel R. Alvarado, Javier Vela, Jacob W. Petrich

Chemistry Publications

Metal−semiconductor nanohybrids (or heterostructures), such as Au−CdS, have become an important class of materials because of their role in photochemical hydrogen production and in other catalytic reactions. Here we report the results of photophysical studies of the interactions of these particles with ATTO dyes (ATTO 590 and 655), which are used as fluorescent probes in a wide range of spectroscopic techniques, most notably super-resolution microscopies. The most important feature of the Au−CdS particles is that they provide the possibility of selective excitation at either their CdS or their Au domains, which absorb preferentially at wavelengths shorter or ...


Design And Activation Of Frequency Tunable 200ghz Gyrotron, Natalie Golota, Faith Scott, Edward Saliba, Brice Albert, Alexander Barnes 2017 Washington University in St. Louis

Design And Activation Of Frequency Tunable 200ghz Gyrotron, Natalie Golota, Faith Scott, Edward Saliba, Brice Albert, Alexander Barnes

Undergraduate Research Symposium Posters

Dynamic Nuclear Polarization (DNP) when combined with Nuclear Magnetic Resonance (NMR) yields high sensitivity spectra while decreasing sample acquisition time. DNP transfers polarization from electron to nuclear spins, giving a strong enhancement of NMR signal. DNP is rapidly developing area of research due in part to application of cyclotron resonance masers (gyrotron) as high power microwave sources. Gyrotrons provide a high-power, high-frequency microwave source that can be used in close proximity to high field NMR magnets. Gyrotrons are operated under strong vacuum and within a cryogenic superconducting magnetic. Gyrotron microwave power is generated by a magnetron injection gun (MIG) composed ...


Abstract Template Resrb 2017, Wojciech M. Budzianowski 2016 Wroclaw University of Technology

Abstract Template Resrb 2017, Wojciech M. Budzianowski

Wojciech Budzianowski

No abstract provided.


Order Form Resrb 2017, Wojciech M. Budzianowski 2016 Wroclaw University of Technology

Order Form Resrb 2017, Wojciech M. Budzianowski

Wojciech Budzianowski

No abstract provided.


C.V., Wojciech M. Budzianowski 2016 Wroclaw University of Technology

C.V., Wojciech M. Budzianowski

Wojciech Budzianowski

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Three Body Interactions Of Rare Gas Solids Calculated Within The Einstein Model, Dan D'Andrea 2016 University of Tennessee, Knoxville

Three Body Interactions Of Rare Gas Solids Calculated Within The Einstein Model, Dan D'Andrea

Masters Theses

Three body interactions can become important in solids at higher pressures and densities as the molecules can come into close contact. At low temperatures, accurate studies of three body interactions in solids require averaging the three-body terms over the molecules' zero point motions. An efficient, but approximate, averaging approach is based on a polynomial approximation of the three-body term. The polynomial approximation can be developed as a function of the symmetry coordinates of a triangle displaced from its average geometry and also as a function of the Cartesian zero point displacements from each atom’s average position. The polynomial approximation ...


Metal-Organic Hybrid Nanocomposites For Energy Harvesting Applications, Thulitha Madawa Abeywickrama 2016 Western Kentucky University

Metal-Organic Hybrid Nanocomposites For Energy Harvesting Applications, Thulitha Madawa Abeywickrama

Masters Theses & Specialist Projects

Various synthetic methods have been developed to produce metal nanostructures including copper and iron nanostructures. Modification of nanoparticle surface to enhance their characteristic properties through surface functionalization with organic ligands ranging from small molecules to polymeric materials including organic semiconducting polymers is a key interest in nanoscience. However, most of the synthetic methods developed in the past depend widely on non-aqueous solvents, toxic reducing agents, and high temperature and high-pressure conditions. Therefore, to produce metal nanostructures and their nanocomposites with a simpler and greener method is indeed necessary and desirable for their nano-scale applications. Hence the objective of this thesis ...


Nmr Studies Of Electrochemical Energy Storage Materials, Jing Peng 2016 The Graduate Center, City University of New York

Nmr Studies Of Electrochemical Energy Storage Materials, Jing Peng

All Graduate Works by Year: Dissertations, Theses, and Capstone Projects

Electrochemical energy storage materials constitute essential elements in the development of sustainable energy technologies. They are crucial for improving the efficiency of energy storage devices to facilitate the use of renewable resources. The increasing human demands for energy and limitation of fossil fuel stimulates the continued development of energy storage materials. Better understanding of their working mechanisms and electrochemical properties from a view of chemistry is quite necessary for improving the energy storage technology. In this work, Nuclear Magnetic Resonance (NMR) has been used as a powerful tool to characterize the solvation behavior and diffusion ability of some commonly used ...


Photodynamic Killing Of Human Cancer Cells With Smart Photosensitizer Materials And An Endoscopic Implement For Singlet Oxygen Delivery, Mihaela N. Minnis 2016 The Graduate Center, City University of New York

Photodynamic Killing Of Human Cancer Cells With Smart Photosensitizer Materials And An Endoscopic Implement For Singlet Oxygen Delivery, Mihaela N. Minnis

All Graduate Works by Year: Dissertations, Theses, and Capstone Projects

The thesis describes progress on probe tips for a microoptic device for the precise delivery of the components necessary for photodynamic therapy (PDT) in a highly localized and controllable fashion. The thesis also summarizes results of a photosensitized oxidation study. The work focused on i) developing a photoactive fluoropolymer surface that will release sensitizer drug molecule for use in PDT, ii) designing new probe tips surfaces for use as sensitizer support for a microoptic PDT device, iii) exploring strategies for covalent attachment of sensitizers and model compounds to Teflon/PVA surfaces with the aim of being coupled with our microoptic ...


Probing The Structure And Photophysics Of Porphyrinoid Systems For Functional Materials, Christopher D. Farley 2016 The Graduate Center, City University of New York

Probing The Structure And Photophysics Of Porphyrinoid Systems For Functional Materials, Christopher D. Farley

All Graduate Works by Year: Dissertations, Theses, and Capstone Projects

Porphyrins (Pors) and their many cousins, including phthalocyanines (Pcs), corroles (Cors), subphthalocyanines (SubPcs), porphyrazines (Pzs), and naphthalocyanines (NPcs), play amazingly diverse roles in biological and non-biological systems because of their unique and tunable physical and chemical properties. These compounds, collectively known as porphyrinoids, can be employed in any number of functional devices that have the potential to address the challenges of modern society. Their incorporation into such devices, however, depends on many structural factors that must be well understood and carefully controlled in order to achieve the desired behavior. Self-assembly and self-organization are key processes for developing these new technologies ...


Model Of The Formation Of Iron Oxide Nanoparticles By Irradiation In Aqueous Media, Thomas I. Sutherland 2016 The University of Western

Model Of The Formation Of Iron Oxide Nanoparticles By Irradiation In Aqueous Media, Thomas I. Sutherland

Electronic Thesis and Dissertation Repository

This thesis aims to develop the mechanistic understanding of the formation of iron oxide nanoparticles by γ-irradiation. Under irradiation water breaks down into a wide array of redox active species (H•, •OH, H2O2, •e-(aq)) uniformly throughout the solution. These species are capable of rapidly interconverting any soluble FeII and insoluble FeIII species resulting in the formation of nanoparticles with a narrow size distribution. The initial concentration of Fe2+ in the solution, the solution pH, the presence of any radical scavengers, the temperature of the reaction, and the dose rate of the Co60 ...


Revisiting The Fenceplot For The Maxwell Construction Of A Van Der Waals Fluid, Carl W. David 2016 University of Connecticut

Revisiting The Fenceplot For The Maxwell Construction Of A Van Der Waals Fluid, Carl W. David

Chemistry Education Materials

An earlier published plot intended to better explain the Maxwell construction of the vapor pressure construct for van der Waals fluids is improved using Inkscape.


Koh Etching Of (100) Si Wafer, No 2, Inayat Bajwa 2016 Quattrone Nanofabrication Facility

Koh Etching Of (100) Si Wafer, No 2, Inayat Bajwa

Protocols and Reports

This report describes KOH etching of (100) Si wafer through a hard mask of silicon oxide, and reveals that the scattered etch rate is ascribed to the etch rates of the different crystal planes exposed during the etching.


Insights From Molecular Dynamics On Substrate Binding And Effects Of Active Site Mutations In Delta1-Pyrroline-5-Carboxylate Dehydrogenase, Bogdan F. Ion, Mohamed M. Aboelnga, James W. Gauld 2016 University of Windsor

Insights From Molecular Dynamics On Substrate Binding And Effects Of Active Site Mutations In Delta1-Pyrroline-5-Carboxylate Dehydrogenase, Bogdan F. Ion, Mohamed M. Aboelnga, James W. Gauld

Chemistry and Biochemistry Publications

The NAD+-dependent enzyme, 1-pyrroline-5-carboxylate dehydrogenase (P5CDH), has an important role in proline and hydroxyproline catabolism for humans. Specifically, this aldehyde dehydrogenase is responsible for the oxidation of both L-glutamate- -semialdehyde (GSA) and 4-erythro-hydroxy-L-glutamate- -semialdehyde (4-OH-GSA) to their respective L-glutamate product forms. We have performed a detailed molecular dynamics (MD) study of both the reactant and product complex structures of P5CDH to gain insights into ligand binding (i.e., GSA, 4-OH-GSA, NAD+, GLU) in the active site. Moreover, our investigations were further extended to examine the structural impact of S352L, S352A, and E314A mutations on the deficiency in the P5CDH ...


Photo-Isomerizable Self-Complementary Hydrogen Bond Arrays, Iamnica Janic Linares Mendez 2016 The University of Western Ontario

Photo-Isomerizable Self-Complementary Hydrogen Bond Arrays, Iamnica Janic Linares Mendez

Electronic Thesis and Dissertation Repository

This thesis exploits the use of a photochromic system in a self-complementary hydrogen bond array; i.e. the azo group, -N=N. The novelty of the approach described in this thesis resides in the double function of the azo group within the array: as a hydrogen bond acceptor site and as an element that promotes a structural change capable of disrupting the complexation equilibrium when irradiated with light.

The photo-isomerizable self-complementary hydrogen bond arrays presented are obtained by a general and practical synthetic method from inexpensive starting materials. Their self-complementary recognition was corroborated by 1H NMR dilution experiments and ...


Fractional Charge Methods For Correcting Approximate Kohn-Sham Potentials, Darya N. Komsa 2016 The University of Western Ontario

Fractional Charge Methods For Correcting Approximate Kohn-Sham Potentials, Darya N. Komsa

Electronic Thesis and Dissertation Repository

The Kohn-Sham density functional theory relies on approximating the exchange-correlation energy functional or the corresponding potential. The behavior of the exchange-correlation potential as a function of position in a system can be used to detect and correct deficiencies of the parent functional. The too-fast decay of the potentials derived from common density functionals is a major problem, because it causes inaccurate Rydberg excitation energies and erroneous fractional charges in dissociating molecules. An efficient method to correct the shape of the exchange-correlation potential was proposed by Gaiduk et al. [A. P. Gaiduk, D. S. Firaha, and V. N. Staroverov, Phys. Rev ...


First Line Shape Analysis And Spectroscopic Parameters For The Ν11 Band Of 12c2h4, Et-touhami Es-sebbar, John JohnMantzaras, Yves Benilan, Aamir Farooq 2016 Paul Scherrer Institute (PSI)

First Line Shape Analysis And Spectroscopic Parameters For The Ν11 Band Of 12c2h4, Et-Touhami Es-Sebbar, John Johnmantzaras, Yves Benilan, Aamir Farooq

Dr. Et-touhami Es-sebbar

An accurate knowledge of line intensities, collisional broadening coefficients and narrowing parameters is necessary for the interpretation of high-resolution infrared spectra of the Earth and other planetary atmospheres. One of the most promising spectral domains for 12C2H4 monitoring in such environments is located near the 3.36 µm window, through its ν11 C–H stretching mode. In this paper, we report an extensive study in which we precisely determine spectroscopic parameters of 12C2H4 ν11 band at 297±1 K, using a narrow Difference-Frequency-Generation (DFG) laser with 10−4 cm−1 resolution. Absorption measurements were performed in the 2975–2980 cm ...


Verwiebe's "3-D" Ice Phase Diagram Reworked, Carl W. David 2016 University of Connecticut

Verwiebe's "3-D" Ice Phase Diagram Reworked, Carl W. David

Chemistry Education Materials

The two dimensional phase diagrams of the various forms of ice are difficult to read and understand. A ``3D'' versions appearing ~80 years ago helps understanding of the phases and their inter-conversion into other phases.


Mechanism Of Ethanol Partial Oxidation Over Titania Supported Vanadia Catalysts: Geometric And Electronic Structure Consequences On Reaction Kinetics, Dongmin Yun 2016 The University of Western Ontario

Mechanism Of Ethanol Partial Oxidation Over Titania Supported Vanadia Catalysts: Geometric And Electronic Structure Consequences On Reaction Kinetics, Dongmin Yun

Electronic Thesis and Dissertation Repository

Supported vanadium oxide catalysts (VOx) are used for a wide range of industrial processes. A significant amount of research has been carried on this specific system with the aim to identify the critical parameters involved in catalytic activity. The results on this relative large body of research indicate that the catalyst support plays a critical role in determining the catalytic activity of vanadia and the use of titanium dioxide as support renders a catalyst with superior activity. Studies on supported vanadia on titanium oxide (VOx/TiO2) have provided an understanding on support interactions that result in tuning ...


Interaction Between Charge-Transfer States Studied By Magnetic Field Effects, Mingxing Li 2016 University of Tennessee, Knoxville

Interaction Between Charge-Transfer States Studied By Magnetic Field Effects, Mingxing Li

Doctoral Dissertations

Organic semiconducting materials, consisting mostly of carbon and hydrogen atoms, provide remarkable promise for electronic applications due to their easy processing, chemical tenability, low costs and environmental-friendly characteristics. For realizing electronic applications such as light emitting diodes and photovoltaic cells, charge-transfer states act as an important intermediate state for recombination and dissociation. Interestingly, magnetic field effects on semiconducting materials have been realized based on the suppression of spin mixing in the charge-transfer states. Although lots of studies have been carried out on investigating the properties of charge-transfer states, little has been done to consider the interaction between them. This thesis ...


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