Physical Sciences and Mathematics Commons^™

Cucurbit[8]Uril Rotaxanes, Vijayakumar Ramalingam, Adam Urbach

Adam R Urbach

The synthesis of [2]rotaxanes, each comprising a viologen core threaded through a cucurbit[8]uril (Q8, Figure 1) macrocycle and stoppered by tetraphenylmethane groups, and their binding to second guests as inclusion complexes in organic and aqueous media are described. Stoppering was observed to have little effect on binding. Chemical modification of the threaded guest was used to control solubility and binding characteristics, thus demonstrating a novel approach to making artificial receptors with readily modifiable properties.

Sequence-Specific Recognition And Cooperative Dimerization Of N-Terminal Aromatic Peptides In Aqueous Solution By A Synthetic Host, Lisa Heitmann, Alexander Taylor, P Hart, Adam Urbach

Adam R Urbach

This article describes the selective recognition and noncovalent dimerization of N-terminal aromatic peptides in aqueous solution by the synthetic host compound, cucurbit[8]uril (Q8). Q8 is known to bind two aromatic guests simultaneously and, in the presence of methyl viologen, to recognize N-terminal tryptophan over internal and C-terminal sequence isomers. Here, the binding of Q8 to aromatic peptides in the absence of methyl viologen was studied by isothermal titration calorimetry (ITC), ¹H NMR spectroscopy, and X-ray crystallography. The peptides studied were of sequence X-Gly-Gly, Gly-X-Gly, and Gly-Gly-X (X = Trp, Phe, Tyr, and His). Q8 selectively binds and dimerizes Trp-Gly-Gly …

Circular Dichroism Spectroscopy In The Undergraduate Curriculum, Adam Urbach

Adam R Urbach

Circular dichroism spectropolarimetry (CD) is a method of optical spectroscopy that seems in most practical ways like UV−visible spectroscopy. The main difference between the two methods is that CD, instead of measuring the absorbance of light as a function of wavelength, measures the difference in absorbance of left versus right circularly polarized light as a function of wavelength. A CD spectrum is an observation of the structure of a chiral compound; it often serves as a “fingerprint” of the structure of biological molecules such as proteins and nucleic acids. For this reason, CD has been broadly applied in biochemistry and …

The Fraud Detection Triangle: A New Framework For Selecting Variables In Fraud Detection Research, Adrian Gepp, Kuldeep Kumar, Sukanto Bhattacharya

Adrian Gepp

Photometric Study Of The Short-Period Eclipsing Binary V441 Lac, Daimei Wang, Liyun Zhang, Xianming Han, Franz Agerer, Qingfeng Pi, Shuai Wang

Xianming Han

We present the first multi-color VRI CCD light curves of a short-period eclipsing binary star v441 Lac in this paper. We obtained our light curves on Oct. 4 and 8, 2013 at Xinglong station of National Astronomical Observatories, China. We updated the ephemeris of V441 Lac based on three new minima derived by our new observational data together with previously available light curve minima. By fitting the O−C (observed minus calculated) values of the minima, we found that the orbital period of V441 Lac exhibits an increasing trend of Ṗ=5.67(0.35)×10^-7 days/year, which might be explained by mass transfer from the …

Magnetic-Field-Induced Alignment-To-Orientation Conversion In Sodium, G. Schinn, Xianming Han

Xianming Han

We report a detailed investigation of excited-state alignment-to-orientation conversion in the presence of an external magnetic field. This counterintuitive phenomenon occurs under intermediate-coupling conditions. A weak, linearly polarized, cw laser beam was used to excite and align the Na 3P3/2 state in an atomic beam along the z direction. The degree of circular polarization of the resulting fluorescence was detected along the z direction as a function of magnetic-field strength. The spectrally integrated transitions originating from individual F levels of the 3S1/2 state yield a maximum circular-polarization fraction of ∼40%; integrating the circular polarization over all the allowed 3S1/2-3P3/2 transitions …

Collision Induced Superfluorescence, A. Kumarakrishnan, Siddharaj Chudasama, Xianming Han

Xianming Han

We have studied superfluorescence (SF) in Ca vapor evolving on the 3d4s3DJ-4s4p3PJ−1 transitions at 1.9 mm by exciting the 4s21S0-4s4p1P1 with a pulsed dye laser. SF is generated following population transfer by spinchanging collisions with an inert gas Ar from the 4s4p1P1 and 3d4s1D2 levels. We show for the first time to our knowledge that the time delay for SF evolution follows the 1/ÎN dependence expected for the case of uniform excitation of the vapor column by collisional transfer. Here, N is the number of participating atoms that was measured directly from the photon yield. The measured photon yield for …

Diamond Growth Reactor Chemistry And Film Nucleation Enhancement Using Chlorinated Hydrocarbons, James Chenault, Charles Feigerle, Xianming Han, Robert Shaw

Xianming Han

The chemistry of diamond film growth from chlorinated hydrocarbons has been investigated using a hot filament reactor coupled to an orifice sampling mass spectrometer. The relative concentrations of the species present near the growth surface have been determined as a function of filament temperature for dilute mixtures of CH4, CH3Cl, CH2Cl2 and CHCl3 in H2. Mass spectral analysis indicated that chlorinated hydrocarbons are sequentially dechlorinated in the presence of hydrogen at moderate reactor temperatures. A dark film was deposited on all surfaces of the reactor during studies of this dechlorination of CHCl3. Raman analysis indicated that these deposits are small …

Collisional Dynamics Of The First Excited States Of Neon In The 590-670 Nm Region Using Laser Optogalvanic Spectroscopy, Xianming Han, M. Su, C. Haridass, P. Misra

Xianming Han

A mathematical rate equation model, incorporating the various processes contributing to the generation of optogalvanic signals in a discharge plasma, has been used to analyze the time-resolved waveforms of neon in the wavelength region 590–670 nm. Amplitudes, decay rates and the appropriate instrumental time constant have been determined using a non-linear least-squares fit of the observed time-resolved optogalvanic waveforms.

The First Multi-Color Photometric Study Of The Short-Period Contact Eclipsing Binary Gk Aqr, Liyun Zhang, Qingfeng Pi, Xianming Han, Tongan Li, Xiliang Zhang, Hongyan Sang, Daimei Wang, Shuai Wang

Xianming Han

We made the first VRI CCD light curves of the short-period contact eclipsing binary GK Aqr, which was observed on October 5 and 8, 2013 at Xinglong station of National Astronomical Observatories, China. The ephemeris of GK Aqr was calculated based on our two newly obtained minima and the minima that other observers obtained previously. We discovered that the orbital period of GK Aqr exhibits an increasing trend of Ṗ=2.8(0.1)×10^-7 days/year by means of fitting the O-C values of the minima. This phenomenon might be explained by mass transfer from the primary (less massive) component to the secondary (more massive) …

Abrupt Change In Neon Discharge Plasma Detected Through Optogalvanic Effects, Xianming Han, Michael Blosser, Prabhakar Misra, Haridass Chandran

Xianming Han

When a laser is tuned between two excited energy levels of a gas in a Direct Current discharge lamp, the discharge current will experience a temporary disturbance lasting tens or hundreds of microseconds known as the optogalvanic effect. We have carried out extensive studies of optogalvanic effects in neon discharge plasmas for transitions at 621.7 nm, 630.5 nm, 638.3 nm, 650.7 nm and 659.9 nm. A nonlinear least-squares Monte Carlo technique has been used to determine the relevant amplitude coefficients, decay rates and the instrumental time constant. We discovered an abrupt change in the neon discharge plasma at a discharge …

Collisional Ionization Of Excited State Neon In A Gas Discharge Plasma, Xianming Han, Verl Wiseheart, Scott Conner, Meng-Chih Su, David Monts

Xianming Han

We report the first case where it is possible to clearly identify and quantitatively characterize the dominant physical processes contributing to production of the optogalvanic effect (OGE) signal in a discharge plasma. This work concentrates on the simplest case where only two states are involved in the optical transition. The theoretical model with only four parameters is in excellent agreement with the experimentally obtained time-resolved OGE waveforms. The collisional ionization rate in the upper state is twice as fast as that in the lower state although the two states are only separated by 1.94 eV. We conclude that the optogalvanic …

Lightcurve Analysis Of Four Asteroids, Bin Li, Haibin Zhao, Xianming Han, Lina Annable, Eli Finkel, Orry Heffner, Adam Kidd, Bradley Magnetta, Tiffany Ramires, Frederick Rastede, Sean Sproston

Xianming Han

From June 2011 through May 2012 May, photometric data for four asteroids were obtained using the Southeastern Association for Research in Astronomy (SARA) telescope located at the Kitt Peak National Observatory. The following synodic periods were found: 4808 Ballaero, P = 8.8976 ± 0.0007 h; 7750 McEwen, P = 27.82 ± 0.01 h; 11941 Archinal, P = 2.717 ±0.006 h; and (47035) 1998WS, P = 7.996 ± 0.001 h.

Investigations Of Superfluorescent Cascades, A. Kumarakrishnan, Xianming Han

Xianming Han

We report our studies of superfluorescent cascades in atomic calcium which result from two-photon excitation of several levels reasonably close to the ionization limit. We have observed significant conversion efficiencies for some of these transitions which result in subnanosecond pulses particularly in the visible wavelengths. We report the discovery of a novel two-photon scattering mechanism which could prove to be a useful method for determining collisional broadening rates. In addition, a hyper Raman transition near 17 μm is discovered which appears to be a promising candidate for a tunable source.

Production And Diagnosis Of A Highly Spin-Polarized Na Beam, G. Schinn, Xianming Han, A. Gallagher

Xianming Han

We describe optically pumping a beam of sodium atoms to >96% mS and >92% mS, mI state selection. (We have accurately measured the population of every mS, mI state in the optically pumped beam.) For the optical pumping both ground hyperfine states are pumped, using single-mode cw dye-laser radiation tuned to the 3S1/2–3P1/2 transition that is phase modulated in a LiTaO3 crystal to produce first-order sidebands at approximately the 1772-MHz hyperfine splitting of the ground state. The z-directed optical pumping is performed in a z-directed magnetic field of ~5 G. The state-selected atoms then move, in ~1 cm, into an …

An Omnibus Nonparametric Test Of Equality In Distribution For Unknown Functions, Alexander Luedtke, Marco Carone, Mark Van Der Laan

Alex Luedtke

We present a novel family of nonparametric omnibus tests of the hypothesis that two unknown but estimable functions are equal in distribution when applied to the observed data structure. We developed these tests, which represent a generalization of the maximum mean discrepancy tests described in Gretton et al. [2006], using recent developments from the higher-order pathwise differentiability literature. Despite their complex derivation, the associated test statistics can be expressed rather simply as U-statistics. We study the asymptotic behavior of the proposed tests under the null hypothesis and under both fixed and local alternatives. We provide examples to which our tests …

The Quasi-Static Deformation, Failure, And Fracture Behavior Of Titanium Alloy Gusset Plates Containing Bolt Holes, Therese Hurtuk, Craig Menzemer, Anil Patnaik, Tirumalai Srivatsan, Kannan Manigandan, T. Quick

Craig Menzemer

In this article, the influence of bolt holes, specifically their number and layout on strength, deformation, and final fracture behavior of titanium alloy gusset plates under the influence of an external load is presented and discussed. Several plates having differences in both the number and layout of the bolt holes were precision machined and then deformed under quasi-static loading. The specific influence of number of bolt holes and their layout on maximum load-carrying capability and even fracture load was determined. The conjoint influence of bolt number, bolt layout pattern, nature of loading, contribution from local stress concentration, and intrinsic microstructural …

Simulation Experiment Of Disaster Response Organizational Structures With Alternative Optimization Techniques, Geun Lee, Jang Bae, Namkyung Oh, Jeong Hong, Il-Chul Mood

Namkyung Oh

Disaster response operations are critical for decreasing the devastating impacts that result in casualties and property damages. Since these operations require cooperation in dynamic and complex situations, the responding organizations require a solid organizational structure collectively. This article introduces computational designs and evaluations of alternative organizational structures for disaster responses to resolve the disconnections between resource demands and supplies. In particular, this research consists of (1) organizational structure designs with two optimization techniques, (2) agent-based simulations that virtually replicate disaster response contexts, and (3) social network analysis to interpret the relations between the structures and the performances from the network …

Effectiveness Of A Spontaneous Carvacrol Nanoemulsion Against Salmonella Enterica Enteritidis And Escherichia Coli O157:H7 On Contaminated Broccoli And Radish Seeds, Kyle Landry, Sean Micheli, David Julian Mcclements, Lynne Mclandsborough

Kyle S Landry

Polystyrene Formation On Monolayer-Modified Nitinol Effectively Controls Corrosion, Rosalynn Quiñones-Fernández, Ellen Gawalt

Rosalynn Quiñones-Fernández

A surface-initiated polymerization of styrene on carboxylic acid terminated phosphonic monolayers was utilized to increase the corrosion resistance of nitinol and nickel oxide surfaces. Alkyl chain ordering, organic reactions, wettability, and film quality of the monolayers and polymers were determined by infrared spectroscopy, atomic force microscopy, matrix-assisted laser desorption ionization spectrometry, and water contact angles. The polystyrene film proved to be a better corrosion barrier than phosphonic acid monolayers by analysis with cyclic voltammetry and electrochemical impedance spectroscopy. The protection efficiency of the polystyrene film on nitinol was 99.4% and the monolayer was 42%.

Structural And Physicochemical Aspects Of Dasatinib Hydrate And Anhydrate Phases, Saikat Roy, Rosalynn Quiñones

Rosalynn Quiñones-Fernández

Crystal structures for the commercial monohydrate form and an anhydrate form of dasatinib, an oral anti-cancer agent, are presented along with characterization by Raman spectroscopy, powder X-ray diffraction, differential scanning calorimetry, and thermogravimetric analysis. Solubility measurements conducted in water reveal the anhydrate has dramatically improved solubility compared to the commercial hydrate form. Finally, dasatinib is a rare example of a promiscuous solvate former and the basis for this behavior can now be understood by examining the poor packing efficiency in the unsolvated form.

Production Planning And Control Systems-State Of The Art And New Directions, V. Sridharan, John Kanet

John J. Kanet

This chapter begins with a description of the role of production planning and control (PPC) within the manufacturing function. After discussing the impact of the operating environment on the choice a system for PPC, we describe some recent empirical evidence regarding the use and performance results of various PPC systems. This is followed by a brief overview of the two most widely used systems for production planning and control. We then describe a recent development in the area of short-term detailed scheduling exploiting the latest developments in computing technology. The chapter concludes with a discussion of an emerging paradigm for …

Operations Research For Freight Train Routing And Scheduling, Steven Harrod, Michael Gorman

Michael F. Gorman

This article describes the service design activities that plan and implement the rail freight operating plan. Elements of strategic service design include the setting of train frequency, the routing of cars among trains, and the consolidation of cars, called blocking. At the operational level, trains are dispatched either according to train paths configured in advance, called timetables, or according to priority rules. We describe the North American and European practice along with selected modeling and problem solving methodologies appropriate for each of the operating conditions described.

Operations Research Approaches In Asset Management In Freight Rail, Michael Gorman, Steven Harrod

Michael F. Gorman

This article describes operations research methodologies as they apply to asset management in freight rail. We describe state-of-the-art methods for locomotive, crew, rail-car, line and yard planning and management. We conclude with emerging areas of research in rail.

Arsenic Mobility During Flooding Of Contaminated Soil: The Effect Of Microbial Sulfate Reduction, Edward Burton, Scott Johnston, Benjamin Kocar

Associate Professor Edward D Burton

In floodplain soils, As may be released during flooding-induced soil anoxia, with the degree of mobilization being affected by microbial redox processes such as the reduction of As(V), Fe(III), and SO42–. Microbial SO42– reduction may affect both Fe and As cycling, but the processes involved and their ultimate consequences on As mobility are not well understood. Here, we examine the effect of microbial SO42 reduction on solution dynamics and solid-phase speciation of As during flooding of an As-contaminated soil. In the absence of significant levels of microbial SO42– reduction, flooding caused increased Fe(II) and As(III) concentrations over a 10 week …

Seawater Inundation Of Coastal Floodplain Sediments: Short-Term Changes In Surface Water And Sediment Geochemistry, Vanessa Wong, Scott Johnston, Edward Burton, Phillip Hirst, Leigh Sullivan, Richard Bush, Mark Blackford

Associate Professor Edward D Burton

Coastal floodplains are highly vulnerable to seawater inundation as a result of storm surge and sea-level rise due to their low elevation and proximity to the coastline. Intact soil cores from a levee, acid-sulfate soil scald and four backswamp sites on a coastal floodplain in eastern Australia were inundated with artificial seawater treatments (0%, 50% and 100%) for 14 days to examine the short term consequences for surface water and floodplain sediment geochemistry. All sites displayed an initial decrease in surface water pH following inundation with 50% and 100% seawater. In addition, higher concentrations of trace metals (Al, Fe, Mn, …

Dr. Linda French: Don’T Limit Yourself (Interview With Kelsi Singer), Linda French

Linda French

Dr. Linda French is Professor of Physics and past Chair of the Physics Department at Illinois Wesleyan University, where she has been a professor since 2002. She received her A.B. in astronomy from Indiana University and a Ph. D. in planetary astronomy from Cornell University. Her scientific research, funded by the National Science Foundation, concerns the study of the shapes and surfaces of asteroids and comets. She is a frequent guest observer at Lowell Observatory in Arizona and at Cerro Tololo Interamerican Observatory in Chile, and is often accompanied by students on these research trips.

On The Construction Of Restricted Minimum Aberration Designs, Chand Midha, Chung-Yi Suen, Ashish Das

Chand K Midha

Deriving a formula, we show that an optimal moment design has the property that each treatment combination appears as equally often as possible. Modifying the definition of minimum aberration to restricted minimum aberration, we show that the word length pattern of a design is proportional to that of its complement. Many restricted minimum aberration designs are constructed

Localized Corrosion Risk Assessment Using Markov Analysis, K Mccallum, J Zhao, M Workman, M Iannuzzi, M Kappes, Joe Payer, Curtis Clemons, S Chawla, Kevin Kreider, Nao Mimoto, Gerald Young

Gerald W Young

The objective of this work was to develop the foundation for an interactive corrosion risk management tool for assessing the probability of failure of equipment/infrastructure as a function of threats (such as pitting corrosion and coating degradation) and mitigation schemes (such as inhibitors and coatings). The application of this work was to assist with corrosion management and maintenance planning of equipment/infrastructure given dynamic changes in environmental conditions. Markov models are developed to estimate pitting damage accumulation density distributions as a function of input parameters for pit nucleation and growth rates. The input parameters are selected based upon characterization with experimental …

One-Dimensional Approach To Modeling Damage Evolution In Galvanic Corrosion, Aaron Stenta, S. Basco, A. Smith, Curtis Clemons, Dimitry Golovaty, Kevin Kreider, Joseph Wilder, Gerald Young, Robert Lillard

Gerald W Young

A one-dimensional mathematical model is developed to describe time-dependent damage evolution in well-mixed (spatially uniform species concentrations) galvanic systems using an IR drop approach. An asymptotic procedure taking advantage of disparity in length scales (thin film approximation for the electrolyte thickness) is used to derive the model. Limitations that result from the reduction of dimension are described, along with an analysis demonstrating the ability of the 1D model to capture physical phenomena, such as area ratio effects. Computed potential, current density, and corrosion damage profiles are compared and verified with experimental data available in the literature and 2D galvanic corrosion …