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49th Rocky Mountain Conference On Analytical Chemistry

Rocky Mountain Conference on Magnetic Resonance

Final program, abstracts, and information about the 49th annual meeting of the Rocky Mountain Conference on Analytical Chemistry, co-endorsed by the Colorado Section of the American Chemical Society and the Rocky Mountain Section of the Society for Applied Spectroscopy. Held in Breckenridge, Colorado, July 22-26, 2007.

Afci Quarterly Input – Unlv April 1 Through June 30, 2007, Harry Reid Center For Environmental Studies. Nuclear Science And Technology Division

Transmutation Research Program Reports (TRP)

Quarterly report highlighting research projects, activities and objectives of the Transmutation Research Program at the Nuclear Science & Technology Division, Harry Reid Research Center.

The University of Nevada, Las Vegas supports the AFCI through research and development of technologies for economic and environmentally sound refinement of spent nuclear fuel. The UNLV program has four components: infrastructure, international collaboration, student-based research, and management and program support.

Characterization Of The Catalytically Active Mn(Ii)-Loaded Arge-Encoded N-Acetyl-L-Ornithine Deacetylase From Escherichia Coli, Wade C. Mcgregor, Sabina I. Swierczek, Brian Bennett, Richard C. Holz

Physics Faculty Research and Publications

The catalytically competent Mn(II)-loaded form of the argE-encoded N-acetyl-l-ornithine deacetylase from Escherichia coli (ArgE) was characterized by kinetic, thermodynamic, and spectroscopic methods. Maximum N-acetyl-l-ornithine (NAO) hydrolytic activity was observed in the presence of one Mn(II) ion with k _cat and K _m values of 550 s⁻¹ and 0.8 mM, respectively, providing a catalytic efficiency (k _cat/K _m) of 6.9 × 10⁵ M⁻¹ s⁻¹. The ArgE dissociation constant (K _d) for Mn(II) was determined to be 0.18 μM, correlating well with a value obtained by isothermal titration …

Microwave Absorption Of Patterned Arrays Of Nanosized Magnetic Stripes With Different Aspect Ratios, Leszek M. Malkinski, Minghui Yu, Andriy Vovk, Donald J. Scherer Ii, Leonard Spinu, Weilie Zhou, Scott L. Whittenburg, Zachary Davis, Jin-Seung Jung

Chemistry and Biochemistry Faculty Publications

Arrays consisting of nanosized stripes of Permalloy with different length-to-width ratios have been fabricated using electron beam nanolithography, magnetron sputtering, and lift-off process. These stripes have a thickness of , a width of , and different lengths ranging from . The stripes are separated by a distance of . Magnetization hysteresis loops were measured using a superconducting quantum interference device susceptometer. Microwave absorption at was determined by means of ferromagnetic resonance technique. The dependence of the resonant field on the angle between the nanostructure and the in-plane dc magnetic field indicates the presence of uniaxial magnetic anisotropy associated with the …

Structural, Magnetic, And Transport Properties Of Zr-Substituted La₀.₇ Sr₀.₃ Mn O₃, Minseob Kim, Jinbo Yang, Qingsheng Cai, William Joseph James, William B. Yelon, Paul Ernest Parris, Satish K. Malik

Chemistry Faculty Research & Creative Works

Zr-substituted perovskites La_0.7Sr_0.3 Mn_1-x Zr_x O₃ with 0 ≤ x ≤ 0.20 were investigated by neutron diffraction (ND), magnetization, electric resistivity, and magnetoresistance measurements. ND refinements reveal that substituted Zr⁴⁺ goes only to the Mn site. Because of its large size, this leads to a Zr-solubility limit at x ≤ 0.10. The x ≤ 0.10 samples exhibit a rhombohedral structure (R3c) from 10 K to room temperature. For the x ≤ 0.10 samples, the cell parameters a and c, and volume increase continuously with increasing Zr content. In addition, the structural distortion of …

Local Effective Potential Theory: Nonuniqueness Of Potential And Wave Function, Viraht Sahni, Marlina Slamet, Xiao-Yin Pan

Physics Faculty Publications

In local effective potential energy theories such as the Hohenberg-Kohn-Sham density functional theory (HKS-DFT) and quantal density functional theory (Q-DFT) electronic systems in their ground or excited states are mapped to model systems of noninteracting fermions with equivalent density. From these models, the equivalent total energy and ionization potential are also obtained. This paper concerns the nonuniqueness of the local effective potential energy function of the model system in the mapping from a nondegenerate ground state, the nonuniqueness of the local effective potential energy function in the mapping from a nondegenerate excited state, and in the mapping to a model …

Ua66 2007 Student Awards Ceremony, Wku Ogden College Of Science & Engineering

WKU Administration Documents

Program recognizing Ogden College students with brief list of activities for each student.

Afci Quarterly Input – Unlv January 1 Through March 31, 2007, Harry Reid Center For Environmental Studies. Nuclear Science And Technology Division

Transmutation Research Program Reports (TRP)

Quarterly report highlighting research projects, activities and objectives of the Transmutation Research Program at the Nuclear Science & Technology Division, Harry Reid Research Center.

The University of Nevada, Las Vegas supports the AFCI through research and development of technologies for economic and environmentally sound refinement of spent nuclear fuel. The UNLV program has four components: infrastructure, international collaboration, student-based research, and management and program support.

Size Dependence Of Static And Dynamic Magnetic Properties In Nanoscale Square Permalloy Antidot Arrays, Minghui Yu, Leszek M. Malkinski, Leonard Spinu, Weilie Zhou, Scott L. Whittenburg

Chemistry and Biochemistry Faculty Publications

Permalloy antidot arrays with different square hole sizes ( , , and ) have been fabricated by means of electron-beam lithography and lift-off techniques. The smaller square hole size results in enhanced remanence and reduced coercivity in the antidot array. Multiple resonance modes were clearly observed for the magnetic field applied normal to the array plane, and double uniform resonance modes occurred when the field deviated more than 30° from the normal to the plane. Two distinct dipolar field patterns with different orientations and magnitudes split the uniform resonance into double resonance modes. The double resonance modes show uniaxial in-plane …

Precision In Imaging Multivariate Optical Computing, Michael N. Simcock, Michael L. Myrick

Faculty Publications

Multivariate optical computing (MOC) is a method of performing chemical analysis using a multilayer thin-film structure known as a multivariate optical element (MOE). Recently we have been advancing MOC for imaging problems by using an imaging MOE (IMOE) in a normal-incidence geometry and employing normalization by the 1-norm. There are several important differences between the previously described 45° and the normal-incidence imaging, one of which is the measurement precision due to photon counting. We compare this precision to 45° MOC. We also discuss how MOE models with similar values of standard errors of calibration and prediction and similar gain values …

Investigation Of Auni5 Films Deposited By Laser Ablation For Rf Mems Switches, Noha Sameh Ahmed Farghal

Archived Theses and Dissertations

No abstract provided.

Fragmentation Of Methyl Chloride Studied By Partial Positive And Negative Ion Yield Spectroscopy, D. Ceolin, Maria Novella Piancastelli, Renaud Guillemin, Wayne C. Stolte, S-W Yu, Oliver Hemmers, Dennis W. Lindle

Environmental Studies Faculty Publications

The authors present partial-ion-yield experiments on the methyl chloride molecule excited in the vicinity of the Cl2p and C1s inner shells. A large number of fragments, cations produced by dissociation or recombination processes, as well as anionic species, have been detected. Although the spectra exhibit different intensity distributions depending on the core-excited atom, general observations include strong site-selective fragmentation along the C–Cl bond axis and a strong intensity dependence of transitions involving Rydberg series on fragment size.

Rank-Ordering Protein-Ligand Binding Affinity By A Quantum Mechanics/ Molecular Mechanics/Poisson-Boltzmann-Surface Area Model, Mingliang Wang, Chung Wong

Chemistry & Biochemistry Faculty Works

The authors describe a quantum mechanics/molecular mechanics/Poisson-Boltzmann-surface area model for rank-ordering protein-ligand binding affinity in aqueous solution. Unlike many classical continuum electrostatics calculations in which the protein and ligand are treated as a uniform dielectric, this model uses quantum mechanics to explicitly describe the electronic polarization of the ligand by its environment. In solving the Poisson-Boltzmann equation, the authors use the quantum mechanical charge density directly rather than the common point-charge approximation. The authors show that useful results can be obtained by using experimental structure, by choosing a protein dielectric constant that is smaller than that typically used in classical …

Sol-Gel Technology In Enhancing The Filtration Of Semi-Volatile Organic Compounds, David T. Nguyen, Jennie Ash, Chastity Ellison

The Corinthian

For the past several years, the field of sol-gel technology has undergone remarkable growth in areas ranging from micro-fibers to chemical sensors. Incorporating an organic phase into the colloidal mixture via pre- or post-doping can modify sol-gels, and manipulation of the size of the pores can be used in developing 'eco-friendly' water filters, particularly for filtering semi-volatile organic compounds in water. In this research project, various forms of sol-gels were made to see which is more efficient for certain semi-volatile chemicals that can be found in diverse sources of water. Organically modified silicates and different structurally sound sol-gels were made …

Elliptical Micro-Ring Organic Lasers, P. R. Korade, John Ballato, R, V. Gregory

Chemistry & Biochemistry Faculty Publications

Multimode laser action was observed from optically excited 2,5-dioctyloxy poly(para-phenylene-vinylene), DOO-PPV, micro-rings coaxially deposited around glass optical fibres of elliptical cross-section. The laser emission was found to be dependent upon the incident angle of the excitation and exhibited linewidths of approximately 1.2 Å, quality factors (Q) exceeding 5000, and thresholds below 0.3 μJ pulse. Such elliptical organic micro-ring lasers offer increased tailorability in emission properties over more conventional analogues of circular cross-section. Also discussed is the potential for such low-threshold lasers to serve as integrated sources for fibre lasers and amplifiers.

Design And Performance Of A Curved-Crystal X-Ray Emission Spectrometer, A. C. Hudson, Wayne C. Stolte, Dennis W. Lindle, Renaud Guillemin

Chemistry and Biochemistry Faculty Research

A curved-crystal x-ray emission spectrometer has been designed and built to measure 2–5 keV x-ray fluorescence resulting from a core-level excitation of gas phase species. The spectrometer can rotate 180°, allowing detection of emitted x rays with variable polarization angles, and is capable of collecting spectra over a wide energy range (20 eV wide with 0.5 eV resolution at the Cl K edge) simultaneously. In addition, the entire experimental chamber can be rotated about the incident-radiation axis by nearly 360° while maintaining vacuum, permitting measurements of angular distributions of emitted x rays.

Dissolution, Reactor, And Environmental Behavior Of Zro2-Mgo Inert Fuel Matrix, Kenneth Czerwinski

Fuels Campaign (TRP)

This project will examine inert fuels containing ZrO₂ and MgO as the inert matrix. Ceramics with this inert matrix, Ce, U and eventually Pu will be synthesized and examined. While the Advanced Fuel Cycle Initiative focus is on inert fuels with Pu as the fissile component, this task will perform initial laboratory experiments with Ce and U. The initial work with Ce will be performed early in the project with results used as a basis for U studies. Reactor physics calculations will be used to examine suitable quantities of burnable poisons from the candidate elements Gd, Er, or Hf. …

An Evaluation Of Supercritical Drying And Peg/Freeze Drying Of Waterlogged Archaeological Wood, Eric Schindelholz, Robert Blanchette, Desmond C. Cook, Michael Drews, Steve Hand, Benjamin Held, Joel Jurgens, Betty Seifert

Physics Faculty Publications

This study was undertaken to evaluate the physical effects of drying waterlogged archaeological wood using supercritical carbon dioxide as compared to air drying and the popular polyethylene glycol (PEG)/freeze drying method. Previous studies have shown supercritical drying to be a potentially advantageous alternative to current methods of drying waterlogged wood through reduced processing time, minimal shrinkage, and increased success for reversibility. Samples in the form of blocks and planks of a few centimeters in size were prepared from two archaeological waterlogged wood sources and grouped into three treatment sets: one for air drying, one for PEG/freeze drying, and the other …

University Of Nevada, Las Vegas Transmutation Research Program Annual Report Academic Year 2006-2007, Anthony Hechanova, Rebecca Arbour

Transmutation Research Program Reports (TRP)

It is my pleasure to present the UNLV Transmutation Research Program’s sixth annual report that highlights the academic year 2006-2007. Supporting this document are the many technical reports and theses that have been generated over the past five years.

In the sixth year of our program, we continued to see growth in the Radiochemistry Ph.D. program with a total of 13 students in the third year of the program (we anticipated eight in the program proposal). Since our inception, the program has sponsored to their conclusion 42 M.S. and 4 Ph.D. degrees. The program supported 39 graduate students, 17 undergraduates, …

Investigation Of Optical Spectroscopy Techniques For On-Line Materials Accountability In The Solvent Extraction Process, Gary Cerefice, Kenneth Czerwinski

Safeguards Campaign (TRP)

The goal of this project is to evaluate the application of these analytical techniques to the on-line, real-time measurement of the actinide elements in the process streams of a solvent extraction process, with particular attention to the UREX+ and PUREX processes. Based on the experience gained through this effort, engineers will have the information necessary to decide if these technologies should be advanced to the prototype stage and tested at the pilot plant level. Through the experimental work planned as part of this effort, researchers will also develop a better understanding of the chemical interactions of the actinide elements, providing …

Evaluation Of Cs/Sr Waste Form For Long Term Storage And Disposal, Gary Cerefice, Longzhou Ma

Waste Forms Campaign (TRP)

The goal of this project is to examine two potential concerns regarding the long-term performance of a proposed cesium/ strontium waste form. To facilitate long-term storage, up to 300 years, the disposal containers will need to be able to survive for the entire storage interval. The first aspect of the project will explore the potential interaction of the aluminosilicate waste form with the storage canister materials to determine if there is any corrosion or chemical interaction concerns for the storage of the materials.

At the end of the storage interval, most of the 137Cs in the waste form will have …

Formation Of In- (2×1) And In Islands On Si (100) - (2×1) By Femtosecond Pulsed Laser Deposition, M. A. Hafez, H. E. Elsayed-Ali

Electrical & Computer Engineering Faculty Publications

The growth of indium on a vicinal Si (100) - (2×1) surface at room temperature by femtosecond pulsed laser deposition (fsPLD) was investigated by in situ reflection high-energy electron diffraction (RHEED). Recovery of the RHEED intensity was observed between laser pulses and when the growth was terminated. The surface diffusion coefficient of deposited In on initial two-dimensional (2D) In- (2×1) layer was determined. As growth proceeds, three-dimensional In islands grew on the 2D In- (2×1) layer. The RHEED specular profile was analyzed during film growth, while the grown In islands were examined by ex situ atomic force microscopy. The full …

Afci Quarterly Input – Unlv July 1 Through September 30, 2006, Harry Reid Center For Environmental Studies. Nuclear Science And Technology Division

Transmutation Research Program Reports (TRP)

Quarterly report highlighting research projects, activities and objectives of the Transmutation Research Program at the Nuclear Science & Technology Division, Harry Reid Research Center.

The University of Nevada, Las Vegas supports the AFCI through research and development of technologies for economic and environmentally sound refinement of spent nuclear fuel. The UNLV program has four components: infrastructure, international collaboration, student-based research, and management and program support.

Low-Energy Nondipole Effects In Molecular Nitrogen Valence-Shell Photoionization, Oliver Hemmers, Renaud Guillemin, D. Rolles, A. Wolska, Dennis W. Lindle, E. P. Kanter, B. Krassig, S. H. Southworth, R. Wehlitz, B. Zimmermann, V. Mckoy, P. W. Langhoff

Environmental Studies Faculty Publications

Observations are reported for the first time of significant nondipole effects in the photoionization of the outer-valence orbitals of diatomic molecules. Measured nondipole angular-distribution parameters for the 3σ_g, 1π_u, and 2σ_u shells of N₂ exhibit spectral variations with incident photon energies from thresholds to ∼200  eV which are attributed via concomitant calculations to particular final-state symmetry waves arising from (E1)⊗(M1,E2) radiation-matter interactions first-order in photon momentum. Comparisons with previously reported K-edge studies in N₂ verify linear scaling with photon momentum, accounting in part for the significantly enhanced nondipole behavior observed in inner-shell ionization …

48th Rocky Mountain Conference On Analytical Chemistry

Rocky Mountain Conference on Magnetic Resonance

Final program, abstracts, and information about the 48th annual meeting of the Rocky Mountain Conference on Analytical Chemistry, co-endorsed by the Colorado Section of the American Chemical Society and the Rocky Mountain Section of the Society for Applied Spectroscopy. Held in Breckenridge, Colorado, July 23-27, 2006.

Structural And Magnetic Properties Of La Mn₁₋ₓfeₓo₃ (0 < X < 1.0), X.-D. Zhou, L. R. Pederson, Qingsheng Cai, Jinbo Yang, B. J. Scarfino, M. Kim, William B. Yelon, William Joseph James, Harlan U. Anderson, C. Wang

Materials Science and Engineering Faculty Research & Creative Works

Electronic, structural, and magnetic properties of Mn-doped lanthanum ferrites were studied by neutron diffraction, superconducting quantum interference device, and impedance spectroscopy. Neutron diffraction refinements were performed with the constraint of full La occupancy, which showed the presence of excess oxygen when x < 0.4. Mixed valent Mn cations and cation vacancies, therefore, exist in all the samples. The samples with x > 0.7 are magnetically ordered at room temperature with orthorhombic symmetry (Pbnm). When x < 0.3 the structure is rhombohedral and magnetically disordered above 16 K. The majority carriers, electron holes, correspond to high oxidation states of Mn. The carrier concentration is determined from the Seebeck coefficients, and is a function of temperature and Fe concentration. The measurements of conductivity and Seebeck coefficients show polaron hopping at elevated temperatures.

Nanometal Containing Nanocomposites And Photolithographic Polyaniline Nanofibers, Frank D. Blum, Sunil K. Pillalamarri, Lalani K. Werake, J. Greg Story, Massimo F. Bertino, Akira Tokuhiro

Chemistry Faculty Research & Creative Works

A report on recent progress from our laboratories on the nanostructures produced from novel synthesis techniques will be discussed. Using high-energy radiation (γ-rays) we have been able to produce conducting polymer nanofibers and nanorods of polyaniline and polypyrrole without the use of a separate template or capping agent. This technique has been extended, with the addition of metal ions, to a "one pot" synthesis, producing conducting nanocomposites. These nanocomposites contain metal nanoparticles which decorate the conducting nanofibers. We have also recently shown that these systems can be photopatterned to produce novel structures. We believe that these systems will be useful …

Kinetic And Spectroscopic Characterization Of The E134a- And E134d-Altered Dape-Encoded N-Succinyl-L,L-Diaminopimelic Acid Desuccinylase From Haemophilus Influenzae, Ryan S. Davis, David L. Bienvenue, Sabina I. Swierczek, Danuta M. Gilner, Lakshman Rajagopal, Brian Bennett, Richard C. Holz

Physics Faculty Research and Publications

Glutamate-134 (E134) is proposed to act as the general acid/base during the hydrolysis reaction catalyzed by the dapE-encoded N-succinyl-l,l-diaminopimelic acid desuccinylase (DapE) from Haemophilus influenzae. To date, no direct evidence has been reported for the role of E134 during catalytic turnover by DapE. In order to elucidate the catalytic role of E134, altered DapE enzymes were prepared in which E134 was substituted with an alanine and an aspartate residue. The Michaelis constant (K _m) does not change upon substitution with aspartate but the rate of the reaction changes drastically in the following order: glutamate (100% …

Femtosecond Nuclear Motion Of Hcl Probed By Resonant X-Ray Raman Scattering In The Cl 1s Region, Marc Simon, Loic Journel, Stephane Carniato, Richard Taieb, I. Minkov, Faris Gel'mukhanov, P. Salek, H. Agren, Renaud Guillemin, Wayne C. Stolte, A. C. Hudson, Dennis W. Lindle

Chemistry and Biochemistry Faculty Research

Femtosecond dynamics are observed by resonant x-ray Raman scattering (RXS) after excitation along the dissociative Cl 1s→6ơ* resonance of gas-phase HCl. The short core-hole lifetime results in a complete breakdown of the common nondispersive behavior of soft-x-ray transitions between parallel potentials. We evidence a general phenomenon of RXS in the hard-x-ray region: a complete quenching of vibrational broadening. This opens up a unique opportunity for superhigh resolution x-ray spectroscopy beyond vibrational and lifetime limitations.

Crystal And Electronic Structures Of Linh₂, Jinbo Yang, X.-D. Zhou, Qingsheng Cai, William Joseph James, William B. Yelon

Materials Science and Engineering Faculty Research & Creative Works

The crystal structure of LiNH₂ was reinvestigated using powder neutron diffraction with high sensitivity. The compound crystallizes in the tetragonal space group I4 with lattice parameters α = b= 5.034 42 (24) Å, c = 10.255 58 (52) Å. It is found that H atoms occupy 8g1(0.2429, 0.1285, 0.1910) and 8g2 (0.3840, 0.3512, 0.1278) sites. The bond lengths between the nearest nitrogen and hydrogen atoms are 0.986 and 0.942 Å, respectively. The bond angle between H-N-H is about 99.97°. These results are significantly different from those of previous experiments. The electronic structure was calculated according to the revised structural …