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Rotational And Hyperfine Analysis Of Aus, Ian A. Wyse 2016 Macalester College

Rotational And Hyperfine Analysis Of Aus, Ian A. Wyse

Macalester Journal of Physics and Astronomy

Gas phase diatomic gold sulfide, AuS, was analyzed using optical spectroscopy. High-resolution spectra were collected and characterized and a global fit of the A2+-X23/2 (0,0), B2-X23/2 (0,0), and C2Δ3/2-X21/2 (0,0) transitions at 15570 cm-1, 16290 cm-1, and 17670 cm-1 was compiled and resulted in rotational constant determinations for the A2+((2σ)1(4π)4), B2((2σ)2(4π)2(2σ*)1), and C2Δ3/2((2σ)2(4π)2(2σ*)1) upper ...


Metal Assisted Chemical Etching, Inayat Bajwa 2016 Quattrone Nanofabrication Facility

Metal Assisted Chemical Etching, Inayat Bajwa

Protocols and Reports

No abstract provided.


Computational Studies Of Spin Trapping Of Biologically Relevant Radicals By New Heteroaryl Nitrones, Eyram Asempa 2016 East Tennessee State Universtiy

Computational Studies Of Spin Trapping Of Biologically Relevant Radicals By New Heteroaryl Nitrones, Eyram Asempa

Electronic Theses and Dissertations

Heteroaryl nitrone spin traps have been suggested to act as free radical scavengers. The geometry optimizations and the single-point energies of the spin trapping reactions of the heteroaryl nitrones, 5,5-dimethylpyrroline-N-oxide (DMPO) and α-phenyl-N-t-butylnitrone (PBN) have been computationally studied using ab initio (Hartree-Fock (HF) and second-order Møller-Plesset (MP2)) methods and Density Functional Theory (DFT) methods. The effects of new heteroaryl substituents on a parent nitrone spin trap have been examined at the HF and MP2 levels with the 6-31G*, and cc-pVnZ (n=D, T, Q) basis sets. The thermodynamics of the spin trapping at the C-site and O-site ...


Binding Of Oxygen To Human Hemoglobin Within The Erythrocyte Using Icam Spectrophotometry, Kyle K. Hill 2016 University of Nebraska-Lincoln

Binding Of Oxygen To Human Hemoglobin Within The Erythrocyte Using Icam Spectrophotometry, Kyle K. Hill

Student Research Projects, Dissertations, and Theses - Chemistry Department

Many of the spectrophotometric techniques used to determine the properties of intracellular human hemoglobin cannot be utilized due to the turbidity of erythrocyte suspensions. An Integrating Cavity Absorption Meter, or ICAM, allows for absorption measurements of strongly scattering samples in the visible-light region of the spectrum. The spectrum of oxygenated hemoglobin within erythrocytes is significantly different from the absorption spectrum of oxygenated hemoglobin in solution. Studies of the oxygen binding to hemoglobin in erythrocytes allowed the four sequential binding constants (Adair constants) to be determined and compared with those of hemoglobin in solution. The Adair constants for hemoglobin in solution ...


Is The Maxwell Construction Correct In Predicting The Van Der Waals Fluid's Vapor Pressure?, Carl W. David 2016 University of Connecticut

Is The Maxwell Construction Correct In Predicting The Van Der Waals Fluid's Vapor Pressure?, Carl W. David

Chemistry Education Materials

The Maxwell construction yields a pressure value which traditionally been associated with the vapor pressure. Here, the question is answered whether or not the two phases represented by the construct are indeed in equilibrium.


Photocatalytic Properties Of G-C3n4–Tio2 Heterojunctions Under Uv And Visible Light Conditions, Rachel Fagan, Declan E. McCormack, Steven J. Hinder, Suresh Pillai 2016 Dublin Institute of Technology

Photocatalytic Properties Of G-C3n4–Tio2 Heterojunctions Under Uv And Visible Light Conditions, Rachel Fagan, Declan E. Mccormack, Steven J. Hinder, Suresh Pillai

Articles

Graphitic carbon nitride (g-C3N4) and titanium dioxide (TiO2) were chosen as a model system to investigate photocatalytic abilities of heterojunction system under UV and visible light conditions. The use of g-C3N4 has been shown to be effective in the reduction in recombination through the interaction between the two interfaces of TiO2 andg-C3N4. A simple method of preparing g-C3N4 through the pyrolysis of melamine was employed, which was then added to undoped TiO2 material to form the g-C3N4–TiO2 system. These materials were then fully characterized by X-ray diffraction (XRD), Brunauer Emmett Teller (BET), and various spectroscopic techniques including Raman, X-ray ...


13c Nmr Spectroscopy: Transmission Effects In 1-Phenyl-3,5-Diarylpyrazoles, Amy N. Hockstedler, Anand B. Shah, Beatrice A. Edjah, Glenda M. Duffek, Krishna D. Patel, Hadrian Mendoza, Hayley B. Arrowood, Nicole A. Brown, Saajid Z. Azhar 2016 Georgia State University

13c Nmr Spectroscopy: Transmission Effects In 1-Phenyl-3,5-Diarylpyrazoles, Amy N. Hockstedler, Anand B. Shah, Beatrice A. Edjah, Glenda M. Duffek, Krishna D. Patel, Hadrian Mendoza, Hayley B. Arrowood, Nicole A. Brown, Saajid Z. Azhar

Georgia State Undergraduate Research Conference

No abstract provided.


Characterization Of A Zinc Finger Protein With A High Affinity For The Rev Binding Site Of The Human Immunodeficiency Virus, Beatrice Arthur Edjah 2016 Georgia State University

Characterization Of A Zinc Finger Protein With A High Affinity For The Rev Binding Site Of The Human Immunodeficiency Virus, Beatrice Arthur Edjah

Georgia State Undergraduate Research Conference

No abstract provided.


Xiao Cheng Zeng Bibliography (April 2016), Xiao Cheng Zeng 2016 University of Nebraska - Lincoln

Xiao Cheng Zeng Bibliography (April 2016), Xiao Cheng Zeng

Xiao Cheng Zeng Publications

397 articles sorted by topics


A Sodium Salt Of The Dimer Of Boronoterephthalic Acid Anhydride, Scott Simmons, Albert Fratini, Vladimir Benin 2016 University of Dayton

A Sodium Salt Of The Dimer Of Boronoterephthalic Acid Anhydride, Scott Simmons, Albert Fratini, Vladimir Benin

Albert Fratini

The title compound, sodium bis­(6-carb­oxy-1-hy­droxy-3-oxo-1,3-dihydro-2,1-benzoxaborol-1-yl)oxidanium, Na+·C16H15B2O13-, was prepared in two steps from 2-bromo-p-xylene. Its crystal structure was determined at 140 K and has triclinic (P) symmetry. The compound presents a unique structural motif, including two units of the cyclic anhydride of boronoterephthalic acid, joined by a protonated, and thereby trivalent, oxonium center. Association in the crystal is realized by complementary hydrogen bonding of the carboxyl groups, as well as by coordination of the sodium cations to the oxygen centers on the five-membered rings.


An Effective Method For The Preparation Of High Temperature Stable Anatase Tio2 Photocatalysts, Rachel Fagan, Declan McCormack, Suresh Pillai, Damian Synnott 2016 Dublin Institute of Technology

An Effective Method For The Preparation Of High Temperature Stable Anatase Tio2 Photocatalysts, Rachel Fagan, Declan Mccormack, Suresh Pillai, Damian Synnott

Articles

An efficient, rapid and straightforward method for the preparation of nitrogen and fluorine (N, F) codoped high temperature stable anatase using a microwave pre-treatment is reported. Using a single source, ammonium fluoride (NH4F) for both nitrogen and fluorine, effective doping of the precursor titanium isopropoxide (TTIP) was possible. These samples were characterised for their structural and optical properties using X-ray diffraction (XRD), Fourier transform IR (FTIR), Raman spectroscopy and UV-vis spectroscopy. In terms of the anatase to rutile transition enhancement using a novel microwave assisted technique, the sample prepared in a composition of 1:8 TiO2: NH ...


Koh Etching Of (100) Si Wafer, No 1, Inayat Bajwa 2016 Quattrone Nanofabrication Facility

Koh Etching Of (100) Si Wafer, No 1, Inayat Bajwa

Protocols and Reports

No abstract provided.


Efficient Bimolecular Mechanism Of Photochemical Hydrogen Production Using Halogenated Boron-Dipyrromethene (Bodipy) Dyes And A Bis(Dimethylglyoxime) Cobalt(Iii) Complex, Randy Sabatini, Brian Lindley, Theresa McCormick, Theodore Lazarides, William Brennessel, David McCamant, Richard Eisenberg 2016 University of Rochester

Efficient Bimolecular Mechanism Of Photochemical Hydrogen Production Using Halogenated Boron-Dipyrromethene (Bodipy) Dyes And A Bis(Dimethylglyoxime) Cobalt(Iii) Complex, Randy Sabatini, Brian Lindley, Theresa Mccormick, Theodore Lazarides, William Brennessel, David Mccamant, Richard Eisenberg

Theresa M. McCormick

A series of Boron-­dipyrromethene (Bodipy) dyes were used as photosensitizers for photochemical hydrogen production in conjunction with [CoIII(dmgH)2pyCl] (where dmgH = dimethylglyoximate, py = pyridine) as the catalyst and triethanolamine (TEOA) as the sacrificial electron donor. The Bodipy dyes are fully characterized by electrochemistry, x-­‐ray crystallography, quantum chemistry calculations, femtosecond transient absorption and time-­‐resolved fluorescence, as well as in long-­‐term hydrogen production assays. Consistent with other recent reports, only systems containing halogenated chromophores were active for hydrogen production, as the long-­‐lived triplet state is necessary for efficient bimolecular electron transfer. Here, it is shown that ...


Procesy Cieplne I Aparaty (Lab), Wojciech Budzianowski 2016 Wroclaw University of Technology

Procesy Cieplne I Aparaty (Lab), Wojciech Budzianowski

Wojciech Budzianowski

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Medium-Sized Au40(Sr)24 And Au52(Sr)32 Nanoclusters With Distinct Gold-Kernel Structures And Spectroscopic Features, Wen Wu Xu, Yadong Li, Yi Gao, Xiao Cheng Zeng 2016 Shanghai Institute of Applied Physics

Medium-Sized Au40(Sr)24 And Au52(Sr)32 Nanoclusters With Distinct Gold-Kernel Structures And Spectroscopic Features, Wen Wu Xu, Yadong Li, Yi Gao, Xiao Cheng Zeng

Xiao Cheng Zeng Publications

We have analyzed the structures of two medium-sized thiolateprotected gold nanoparticles (RS-AuNPs) Au40(SR)24 and Au52(SR)32 and identified the distinct structural features in their Au kernels [Sci. Adv., 2015, 1, e1500425]. We find that both Au kernels of the Au40(SR)24 and Au52(SR)32 nanoclusters can be classified as interpenetrating cuboctahedra. Simulated X-ray diffraction patterns of the RS-AuNPs with the cuboctahedral kernel are collected and then compared with the X-ray diffraction patterns of the RS-AuNPs of two other prevailing Au-kernels identified from previous experiments, namely the Ino-decahedral kernel and icosahedral kernel ...


Sign Learning Kink-Based (Silk) Quantum Monte Carlo For Molecular Systems, Xiaoyao Ma, Randall W. Hall, Frank Löffler, Karol Kowalski, Kiran Bhaskaran-Nair, Mark Jarrell, Juana Moreno 2016 Department of Physics and Astronomy, Louisiana State University, Baton Rouge

Sign Learning Kink-Based (Silk) Quantum Monte Carlo For Molecular Systems, Xiaoyao Ma, Randall W. Hall, Frank Löffler, Karol Kowalski, Kiran Bhaskaran-Nair, Mark Jarrell, Juana Moreno

Collected Faculty Scholarship

The Sign Learning Kink (SiLK) based Quantum Monte Carlo (QMC) method is used to calculate the ab initioground state energies for multiple geometries of the H2O, N2, and F2 molecules. The method is based on Feynman’s path integral formulation of quantum mechanics and has two stages. The first stage is called the learning stage and reduces the well-known QMC minus sign problem by optimizing the linear combinations of Slater determinants which are used in the second stage, a conventional QMC simulation. The method is tested using different vector spaces and compared to the results of ...


Improved High Temperature Stability Of Anatase Tio2 Photocatalysts By N, F, P Co-Doping, Rachel Fagan, Declan McCormack, Steven Hinder, Suresh Pillai 2016 Dublin Institute of Technology

Improved High Temperature Stability Of Anatase Tio2 Photocatalysts By N, F, P Co-Doping, Rachel Fagan, Declan Mccormack, Steven Hinder, Suresh Pillai

Articles

Among the three commonly occurring phases (anatase, rutile, and brookite) of TiO2, the anatase form is reported to be the best photocatalyst due to the improved charge-carrier mobility and the greater number of surface hydroxyl groups. The anatase to rutile transition in titania photocatalysts usually occurs at a temperature between 500 °C to 700 °C. Development of a high temperature stable (above 1000 °C) anatase phase is important for various environmental applications (e.g. self-cleaning ceramic tiles, anti-microbial sanitary wares, etc.). In this study, the use of ammonium hexafluorophosphate as a single source dopant (method A) and urea, trifluoroacetic acid ...


Improved High Temperature Stability Of Anatase Tio2 Photocatalysts By N, F, P Co-Doping, Rachel Fagan, Declan McCormack, Steven Hinder, Suresh Pillai 2016 Dublin Institute of Technology

Improved High Temperature Stability Of Anatase Tio2 Photocatalysts By N, F, P Co-Doping, Rachel Fagan, Declan Mccormack, Steven Hinder, Suresh Pillai

Articles

Among the three commonly occurring phases (anatase, rutile, and brookite) of TiO2, the anatase form is reported to be the best photocatalyst due to the improved charge-carrier mobility and the greater number of surface hydroxyl groups. The anatase to rutile transition in titania photocatalysts usually occurs at a temperature between 500 °C to 700 °C. Development of a high temperature stable (above 1000 °C) anatase phase is important for various environmental applications (e.g. self-cleaning ceramic tiles, anti-microbial sanitary wares, etc.). In this study, the use of ammonium hexafluorophosphate as a single source dopant (method A) and urea, trifluoroacetic acid ...


Perspectives For Low-Carbon Electricity Production Until 2030: Lessons Learned From The Comparison Of Local Contexts In Poland And Portugal, Wojciech Budzianowski, Joao Gomes 2015 Wroclaw University of Technology

Perspectives For Low-Carbon Electricity Production Until 2030: Lessons Learned From The Comparison Of Local Contexts In Poland And Portugal, Wojciech Budzianowski, Joao Gomes

Wojciech Budzianowski

This paper compares perspectives for low-carbon electricity production in two EU member states - Poland and Portugal until 2030. Electricity production capacities, carbon emissions of electricity production, and production cost of electricity (COE) of Poland and Portugal are analyzed. The dilemmas of investments into low-carbon electricity production technologies relying on: (i) renewable energy sources (RES), (ii) nuclear fuel, and (iii) fossil fuels integrated with carbon capture and sequestration (CCS) are discussed. Roadmap 2050 recommends about 40% decarbonization of electricity generation by 2030 and 100% by 2050. Based on electricity production mix forecast for 2030 carbon emissions of electricity are estimated at ...


Inżynieria Chemiczna Lab., Wojciech Budzianowski 2015 Wroclaw University of Technology

Inżynieria Chemiczna Lab., Wojciech Budzianowski

Wojciech Budzianowski

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