Chemistry Commons^™

Table Of Contents, Michele Harmon

Journal of the South Carolina Academy of Science

No abstract provided.

Dose Dependent Effects Of Caffeine On Cognitive Performance And Neuronal Activation, Stephan Albrecht, Helen Morris, Michelle Vieyra

Journal of the South Carolina Academy of Science

Many students assume that the more caffeine you drink, the better your cognitive performance. Over-consumption of caffeine has many negative effects, so if there are no dose related cognitive benefits to large amounts of caffeine, then college students should limit their intake. This study looked at whether ingesting a medium dose (200 mg) versus a lower dose (100 mg) of caffeine improved short term memory as measured by Flanker and n-back tests, compared to a control group. In addition, we looked at whether larger doses of caffeine produced a difference in neuronal activation during these tests as measured by functional …

Fourier Analysis Of Phase Resetting Curves Of Neural Oscillators, Robert A. Raidt, Sorinel A. Oprisan

Journal of the South Carolina Academy of Science

We investigated the impact of changes in biologically relevant control parameters, such as the shape of an external perturbation or the conductance values of an individual model neuron, on the shape of the phase resetting curve (PRC) of that neuron. For that purpose, PRCs were generated for groups of Morris-Lecar (ML) model neurons with different conductance values but similar firing periods (within 0.005ms) using external rectangular, triangular, or trapezoidal perturbations of varying areas. These PRCs were numerically described and analyzed as a series of coefficient values using a Fourier Discrete Sine Transform (DST). We found that changes in the shape …

Magneto-Optical Properties Of Complex Oxides, Peng Chen

Doctoral Dissertations

Complex oxides give rise to rich physics and exotic cross-coupled electronic and magnetic properties. This is because of the competing interaction between charge, structure, and magnetism in the materials. In this dissertation I present a spectroscopic investigation of several model complex oxides under external stimuli of magnetic field and temperature. The compounds of interest include BiFeO₃ [bismuth ferrite] nanoparticles and tetragonal film, Bi_1-xNd_xFeO₃ [neodymium doped bismuth ferrite], α-Fe₂O₃ [hematite], Ni₃V₂O₈ [nickel vanadate], and RIn_1-xMn_xO₃ [manganese doped rare earth indium oxide]. …

Hydrogen Evolution Reaction Measurements Of Dealloyed Porous Nicu, Kyla Koboski, Evan Nelsen, Jennifer R. Hampton

Faculty Publications

Porous metals are of interest for their high surface area and potential for enhanced catalytic behavior. Electrodeposited NiCu thin films with a range of compositions were electrochemically dealloyed to selectively remove the Cu component. The film structure, composition, and reactivity of these samples were characterized both before and after the dealloying step using scanning electron microscopy, energy-dispersive spectroscopy, and electrochemical measurements. The catalytic behavior of the dealloyed porous Ni samples towards the hydrogen evolution reaction was measured and compared to that of the as-deposited samples. The dealloyed samples were generally more reactive than their as-deposited counterparts at low overpotentials, making …

Solar Energy Conversion And Control Using Organic Photovoltaic Cells, Kurt Wade Woods

Masters Theses & Specialist Projects

Organic photovoltaic (OPV) cells are advanced, newly emerging technologies that are lightweight, mechanically flexible devices with highthroughput processes from low cost material in a variety of colors. Rathnayake et al. of Western Kentucky University have developed a nanostructure-based OPV cell. Presented in this thesis is a model and simulation of a generalized PV powered system that can predict the performance of solar arrays in various environmental conditions. The simulation has been carried out in Matlab/Simulink, and upon entering the cell’s parameters, it provides key electrical characteristics such as the cell’s I-V curve and efficiency information. The total system that is …

Interactive Wireless Sensor For Remote Trace Detection And Recognition Of Hazardous Gases, Audrey Lama

Masters Theses & Specialist Projects

The interactive wireless sensor detects many hazardous gases such as Hexane, Propane, Carbon monoxide and Hydrogen. These gases are highly toxic and used in different kinds of manufacturing industries, domestic purpose and so on. So, building a sensor that can detect this kind of gases can save the environment; prevent the potential for explosion, and endangering human life. In long term, interactive wireless sensor can also prevent the financial losses that might occur due to the hazardous incident that might occur due to these toxic gases.

Hexane is a colorless, strong gas which inhaled in significant amounts by a person …

Investigation Of Major Intermolecular Interactions In 7,8-Dihydrobenzo(K)Phenanthridin-6(5h)-One Crystal Using Quantum Calculations And Crystallographic Visualization Programs, Zhiwei Liao, Tonglei Li, Mingtao Zhang

The Summer Undergraduate Research Fellowship (SURF) Symposium

Currently, tablets and capsules are the most common ways of delivering drugs. The active pharmaceutical ingredients and excipients used to make those tablets and capsules are in their crystalline form generally. However, a single molecule can form multiple different crystal structures because of different packing arrangements of the molecules. These different crystal structures have identical chemical composition but different properties such as solubility, density, stability, etc. This phenomenon is called polymorphism. Occurrence of polymorphism could be a disaster for both patients and pharmaceutical companies, as the drug could lose its efficacy due to changes in properties. Studying intermolecular interactions in …

Isoprene Suppression Of New Particle Formation In A Mixed Deciduous Forest, V. P. Kanawade, B. T. Jobson, A. B. Guenther, M. E. Erupe, S. N. Pressley, S. N. Tripathi, Shan-Hu Lee

Shan-Hu Lee

Production of new particles over forests is an important source of cloud condensation nuclei that can affect climate. While such particle formation events have been widely observed, their formation mechanisms over forests are poorly understood. Our observations made in a mixed deciduous forest with large isoprene emissions during the summer displayed a surprisingly rare occurrence of new particle formation (NPF). Typically, NPF events occur around noon but no NPF events were observed during the 5 weeks of measurements. The exceptions were two evening ultrafine particle events. During the day, sulfuric acid concentrations were in the 106 cm−3 range with very …

The Effect Of Trimethylamine On Atmospheric Nucleation Involving H2so4, M. E. Erupe, A. A. Viggiano, Shan-Hu Lee

Shan-Hu Lee

Field observations and quantum chemical calculations have shown that organic amine compounds may be important for new particle formation involving H₂SO₄. Here, we report laboratory observations that investigate the effect of trimethylamine (TMA) on H₂SO₄-H₂O nucleation made under aerosol precursor concentrations typically found in the lower troposphere ([H₂SO₄] of 10⁶−10⁷ cm⁻³; [TMA] of 180–1350 pptv). The threshold [H₂SO₄] needed to produce the unity J was from 10⁶−10⁷ cm⁻³ and the slopes of Log …

New Particle Growth And Shrinkage Observed In Subtropical Environments, L. H. Young, Shan-Hu Lee, V. P. Kanawade, T-C. Hsiao, Y. L. Lee, B-F. Hwang, Y-J. Liou, H-T. Hsu, P-J. Tsai

Shan-Hu Lee

We present the first systematic analysis for new particle formation (NPF), growth and shrinkage of new particles at four different sites in subtropical central Taiwan. A total of 14 NPF events were identified from 137 days of ambient measurements during a cold and warm season. The measured formation rates of 10 nm particles (J₁₀) and growth rates were in the range of 4.4–30 cm⁻³s⁻¹ and 7.4–24 nm h⁻¹, respectively. The onset of NPF events coincided with decreases of condensation sink (CS) and increases of SO₂ under enhanced atmospheric mixing and dilution. …

On The Origin Of Mode- And Bond-Selectivity In Vibrationally Mediated Reactions On Surfaces, Daniel Killelea, Arthur L. Utz

Chemistry: Faculty Publications and Other Works

The experimental observations of vibrational mode- and bond-selective chemistry at the gas–surface interface indicate that energy redistribution within the reaction complex is not statistical on the timescale of reaction. Such behavior is a key prerequisite for efforts to use selective vibrational excitation to control chemistry at the technologically important gas–surface interface. This paper outlines a framework for understanding the origin of non-statistical reactivity on surfaces. The model focuses on the kinetic competition between intramolecular vibrational energy redistribution (IVR) within the reaction complex, which in the long-time limit leads to statistical behavior, and quenching, scattering, or desorption processes that restrict the …

Near-Unity Nuclear Polarization With An Open-Source 129xe Hyperpolarizer For Nmr And Mri, Panayiotis Nikolaou, Aaron M. Coffey, Laura L. Walkup, Brogan M. Gust, Nicholas Whiting, Hayley Newton, Scott Barcus, Iga Muradyan, Mikayel Dabaghyan, Gregory D. Moroz, Matthew S. Rosen, Samuel Patz, Michael J. Barlow, Eduard Y. Chekmenev, Boyd M. Goodson

Nicholas Whiting

2013 Annual Meeting Program

Journal of the South Carolina Academy of Science

No abstract provided.

Neutron Scintillation Detectors Based On Polymers Containing Lithium-6 For Radiation Portal Monitor Applications, Andrew Neil Mabe

Doctoral Dissertations

The work presented herein describes an investigation of four main types of thin film polymer scintillators containing ⁶Li [lithium-6] for neutron detection: polystyrene containing ⁶LiF [lithium-6 fluoride] and a preblended fluor mixture comprising 2,5-diphenyloxazole and 1,4-bis(5-phenyloxazol-2-yl)benzene; poly(styrene-co-lithium maleate) containing salicylic acid; poly[styrene-co-lithium maleate-co-2-phenyl-5-(4-vinylphenyl)oxazole]; and poly(styrene-co-lithium 4-vinylbenzoate). A variety of chemical and physical characterizations as well as optical and scintillation characterizations were performed to guide the development of optimized compositions of each type of polymer film. The scintillation performances of optimized compositions of each type of polymer film were calibrated using …

Fabrication Of Tungsten Tips Suitable For Scanning Probe Microscopy By Electrochemical Etching Methods, Gobind Basnet

Graduate Theses and Dissertations

The fabrication of metal tips is becoming an interesting field for scientists who are working in spectroscopy measurements. A significant amount of work has already been done in the tips fabrication process. Metal tips used to analyze the surface of materials play a key role in the scanning tunneling microscope (STM) technique. It's remarkable quality that it is used to study the surface of material at the atomic level.

There are various methods used in the tips fabrication process. Of diverse methods, three different electrochemical etching methods: submerged method, single lamella drop-off method, and double lamella drop-off method are commonly …

Investigation Of Storage-Phosphor Autoradiography For The Rapid Quantitative Screening Of Air Filters For Emergency Response Purposes, Athena Marie Gallardo

UNLV Theses, Dissertations, Professional Papers, and Capstones

Past nuclear accidents, such as Chernobyl, resulted in a large release of radionuclides into the atmosphere. Radiological assessment of the vicinity of the site of the incident is vital to assess the exposure levels and dose received by the population and workers. Therefore, it is critical to thoroughly understand the situation and risks associated with a particular event in a timely manner in order to properly manage the event. Current atmospheric radiological assessments of alpha emitting radioisotopes include acquiring large quantities of air samples, chemical separation of radionuclides, sample mounting, counting through alpha spectrometry, and analysis of the data. The …

55th Annual Rocky Mountain Conference On Magnetic Resonance

Rocky Mountain Conference on Magnetic Resonance

Final program, abstracts, and information about the 55th annual meeting of the Rocky Mountain Conference on Magnetic Resonance, co-endorsed by the Colorado Section of the American Chemical Society and the Society for Applied Spectroscopy. Held in Denver, Colorado, July 28 - August 1, 2013.

Vpt2+K Spectroscopic Constants And Matrix Elements Of The Transformed Vibrational Hamiltonian Of A Polyatomic Molecule With Resonances Using Van Vleck Perturbation Theory, Andreana M. Rosnik, William F. Polik

Faculty Publications

Vibrational levels of polyatomic molecules are analysed with Van Vleck perturbation theory to connect experimental energy levels to computed molecular potential energy surfaces. Vibrational matrix elements are calculated from a quartic potential function via second-order Van Vleck perturbation theory, a procedure that treats both weak and strong interactions among vibrational states by approximately block-diagonalising the vibrational Hamiltonian. A clear and complete derivation of anharmonic and resonance constants as well as general expressions for both on- and off-diagonal matrix elements of the transformed Hamiltonian is presented. The equations are written in partial fraction form and as a constant multiplied by a …

Structural And Magnetic Properties Of La₀.₇Sr₀.₃Mn₁₋ₓniₓo₃ (X ≤ 0.4), Thomas F. Creel, Jinbo Yang, Mehmet Kahveci, Satish K. Malik, Sylvio Quezado, Oran Allan Pringle, William B. Yelon, William Joseph James

Physics Faculty Research & Creative Works

We have studied the structural and magnetic properties of La_0.7Sr_0.3Mn_1-xNi_xO₃ (x = 0.05, 0.1, 0.20, 0.30, and 0.40) perovskites using x-ray and neutron diffraction and magnetic measurements. Our data consist of neutron (γ = 1.479Å) and x-ray (γ = 1.5481Å; Cu Kα) powder diffraction and magnetization measurements. We previously suggested these systems transition from ferromagnetic to antiferromagnetic ordering with the intermediate concentrations containing coexisting domains of ferromagnetically and antiferromagnetically ordered states. Upon further detailed examination, we find that the samples are homogeneous and that neutron data can be fitted to a …

Why Do Molecules Echo Atomic Periodicity?, Ray Hefferlin, Jonathan Sackett, Jeremy Tatum

Faculty Works

Franck–Condon factors are investigated for sequences of free

main-group diatomic molecules. Theory-based Condon loci

(parabolas) and Morse-potential loci are plotted on Deslandres

tables to verify if they, indeed, follow the largest Franck–Condon

factors. Then, the inclination angles of the Condon loci

are determined. Thus, entire band systems are quantified by

one variable, the angle. For all available isoelectronic sequences,

this angle increases from a central minimum toward

magic-number molecular boundaries. The theory for the Condon

locus gives the angle in terms of the ratio of the upperstate

to the lower-state force constants. It is concluded that

the periodicity is caused …

Alkane Adsorption On Mgo(100): Volumetric Isotherm, Inelastic Neutron Scattering, And Computational Studies, Andrew Spencer Hicks

Doctoral Dissertations

Volumetric adsorption isotherms and computational molecular dynamics (MD) simulations were performed for nonane and decane adfilms on MgO(100) nanocubes. From the isotherms, variety of thermodynamic quantities are calculated. These values, along with visual inspection of the isotherms, indicate a layer by layer trend from 2D to 3D behavior. This is attributed to the increasing importance of vertical adsorbate-adsorbate interactions as distance from the surface increases. Additionally, a 2D phase transition is observed for the first adsorbed layer as indicated by the evolution of the widths of the isotherm first derivative peaks. These experimental results are complemented by the MD calculations, …

Experimenting With Polymer Blend Solar Cells And Active Layer Thickness, Ryan Blumenthal

Physics

Bulk heterojunction organic photovoltaics utilize the electrical characteristics of semi-conductive polymers. These solution processable materials are beneficial because of their low material cost, light weight, and simple fabrication requirements. Our devices employ multiple photoactive polymers, P3HT and PCPDTBT, to absorb photons over a wide spectral range. We optimized various device characteristics including thickness and thermal anneal usage to reach a power conversion efficiency of 3.0% in AM1.5 sunlight. Device performance degrades over time due to atmospheric water and oxygen, prompting us to investigate device packaging to extend cell lifetime for additional testing.

Probing Bonding And Dynamics At Heterogeneous Adsorbate/Graphene Interfaces, Eric Charles Mattson

Theses and Dissertations

Graphene-based materials are becoming an astoundingly promising choice for many relevant technological and environmental applications. Deriving graphene from the reduction of graphene oxide (GO) is becoming a popular and inexpensive route toward the synthesis of these materials. While the desired product from GO reduction is pristine graphene, defects and residual oxygen functional groups inherited from the parent GO render reduced graphene oxide (RGO) distinct from graphene. In this work, the structure and bonding for GO and RGO is investigated to the end of a working understanding of the composition and properties of these materials. In situ selected area electron diffraction …

Franck-Hertz Experiment, Mario Yuuji Harper, Blake Moore

Mario Yuuji Harper

The phenomenon investigated in this experiment was whether or not it was possible to excite atoms by low-energy electron bombardment, and to determine if the energy transferred from the colliding electrons were always in discrete amounts. This was investigated using thermally excited electrons that were accelerated across a potential through a homogenous gas of a single element. A slowing potential was applied at the anode making electrons that transferred their energy via inelastic collisions to lose their energy before arriving at the detector, this caused drastic decreases in the current observed. These decreases in current always occurred at the same …

Volume 05, Ian Karamarkovich, Jessica Cox, Kyle Fowlkes, Allison Pawlowski, Kaitlin Major, Carrie Dunham, Kelsey Scheitlin, Kathryn Grayson, Ashley Johnson, Jennifer Nehrt, Kelsey Stolzenbach, Kristin Mcquarrie, Sara Nelson, Melisa Michelle, Jessica Sudlow, Perry Bason, Danielle Dmuchawski, Mariah Asbell, Matthew Sakach, Timothy Smith Jr., Annaliese Troxell, T. Dane Summerell, Sarah Ganrude, Malina Rutherford, Hannah Hopper, John Berry Jr., James Early, Colleen Festa, Chelsea D. Taylor, Michelle Maddox, Kaitlyn Smith, Sarah Schu, Cabell Edmunds, Katherine Grayson, Kayla Tornai

Incite: The Journal of Undergraduate Scholarship

Introduction from Dean Dr. Charles Ross

The Tallis House as an Extension of Emily Tallis in McEwan's Atonement by Ian Karamarkovich

Graphic Design by Jessica Cox

Graphic Design by Kyle Fowlkes

Graphic Design by Allison Pawlowski

Incorporating Original Research in The Classroom: A Case Study Analyzing the Influence of the Chesapeake Bay on Local Temperatures by Kaitlin Major, Carrie Dunham and Dr. Kelsey Scheitlin

Graphic Design by Kathryn Grayson

Graphic Design by Ashley Johnson

Facing the Music: Environmental Impact Assessment of Building A Concert Hall on North Campus by Jennifer Nehrt, Kelsey Stolzenbach And Dr. Kelsey Scheitlin

Art by Kristin …

Carbon Nitride And Conjugated Polymer Composite Materials, Josh Byers

Electronic Thesis and Dissertation Repository

The semiconductor and photovoltaic properties of carbon nitride (CNx) thin films prepared using a reactive magnetron sputtering technique were investigated both individually and as composites with the organic conjugated polymers polybithiophene (PBT) and poly(3-hextlthiophene) (P3HT). At low nitrogen content, the film structure was dominated by graphitic sp² percolation networks, whereas at higher nitrogen contents CNx films started to demonstrate semiconductor properties, as evidenced by the occurrence of photoconductivity and the development of a space charge region. When CNx was deposited onto a PBT substrate, it was found to function as an acceptor material improving the photocurrent generation both in …

Observation Of Ground-State Two-Neutron Decay, M Thoennessen, Z Kholey, A Spyrou, E Lunderberg, Paul A. Deyoung, H Attanayake, T Baumann, D Bazin, B A. Brown, G Christian, D Divaratne, S M. Grimes, A Haagsma, J E. Finck, N Frank, B Luther, S Mosby, T Nagi, Graham F. Peaslee, W A. Peters, A Schiller, J K. Smith, J Snyder, M Strongman, A Volya

Faculty Publications

Neutron decay spectroscopy has become a successful tool to explore nuclear properties of nuclei with the largest neutron-to-proton ratios. Resonances in nuclei located beyond the neutron dripline are accessible by kinematic reconstruction of the decay products. The development of two-neutron detection capabilities of the Modular Neutron Array (MoNA) at NSCL has opened up the possibility to search for unbound nuclei which decay by the emission of two neutrons. Specifically, this exotic decay mode was observed in¹⁶Be and ²⁶O.

Density Functional Theory And The Calculation Of Tcmg2O4 Spinel Lattice Parameters, Jon Karlo Macias

Physics

The cohesive energy, lattice constant and bulk modulus of two simple HCP crystal structures of magnesium and technetium were calculated using the vienna ab initio simulation package (VASP) which is based on density functional theory (DFT). The same properties were determined for TcMg₂O₄ spinel. The theoretical results of the lattice constant of the pure crystals were compared to experimental results and found to be in excellent agreement with a difference of less than 2%. The results for the lattice constant of the TcMg₂O₄ spinel were found to be in excellent agreement as well with …

Geometric-Phase Interference In A Mn12 Single-Molecule Magnet With Four-Fold Rotational Symmetry, S T. Adams, E H. Da Silva Neto, S Datta, J F. Ware, Christos Lampropoulos, G Christou, Y Myaesoedov, E Zeldov, Jonathan R. Friedman

Christos Lampropoulos

We study the magnetic relaxation rate Gamma of the single-molecule magnet Mn12-tBuAc as a function of magnetic field component HT transverse to the molecule's easy axis. When the spin is near a magnetic quantum tunneling resonance, we find that Gamma increases abruptly at certain values of HT. These increases are observed just beyond values of HT at which a geometric-phase interference effect suppresses tunneling between two excited energy levels. The effect is washed out by rotating HT away from the spin's hard axis, thereby suppressing the interference effect. Detailed numerical calculations of Gamma using the known spin Hamiltonian accurately reproduce …