Physical Sciences and Mathematics Commons^™

High Speed Atomic Force Microscope Design Using Dvd Optics, Thomas Carlson

Theses and Dissertations

We examine the design of a high speed atomic force microscope using an optical pickup from a commercially available compact disc/digital versatile disc drive. An investigation of the commercial optical pickup is done with the goal of determining how it can be used for dimensional measurements on nanometer scale. An evaluation of noise sources, imaging capabilities, and functionality is performed.

Investigating Mechanical Properties Of Metallic Nanowires Using Molecular Dynamics, Alex Khammang

Theses and Dissertations

Metallic nanowires have useful applications in scanning tunneling microscopes and atomic force microscopes due to their unique sensitivity to force and electricity. These unique properties arise because of the large surface area to volume ratio. One of these properties is that introducing twinning planes the mechanical properties of metallic nanowires can be altered. The effects of twinning planes on metallic nanowires were studied using molecular dynamics simulations. Silver, copper, and nickel nanowires with and without twinning planes were simulated with engineering strain until the first yielding stress was obtained. The radial simulations showed that as the radius of twinned nanowires …

Spatial Scheduling Algorithms For Production Planning Problems, Sudharshana Srinivasan

Theses and Dissertations

Spatial resource allocation is an important consideration in shipbuilding and large-scale manufacturing industries. Spatial scheduling problems (SSP) involve the non-overlapping arrangement of jobs within a limited physical workspace such that some scheduling objective is optimized. Since jobs are heavy and occupy large areas, they cannot be moved once set up, requiring that the same contiguous units of space be assigned throughout the duration of their processing time. This adds an additional level of complexity to the general scheduling problem, due to which solving large instances of the problem becomes computationally intractable. The aim of this study is to gain a …

Stochastic Differential Equations And Numerical Applications, Matthew Rajotte

Theses and Dissertations

We will explore the topic of stochastic differential equations (SDEs) first by developing a foundation in probability theory and It\^o calculus. Formulas are then derived to simulate these equations analytically as well as numerically. These formulas are then applied to a basic population model as well as a logistic model and the various methods are compared. Finally, we will study a model for low dose anthrax exposure which currently implements a stochastic probabilistic uptake in a deterministic differential equation, and analyze how replacing the probablistic uptake with an SDE alters the dynamics.

Aromaticity Rules In The Development Of Negative Ions, Brandon Child

Theses and Dissertations

Organic molecules are known for their stability due to aromaticity. Superhalogens, on the other hand, are highly reactive anions, whose electron affinity is larger than that of chlorine. This thesis, using first principles calculations, explores possible methods for creation of superhalogen aromatic molecules while attempting to also develop a fundamental understanding of the physical properties behind their creation. The first method studied uses anionic cyclopentadienyl and enhances its electron affinity through ligand substitution or ring annulation in combination with core substitutions. The second method studies the possibilities of using benzene, which has a negative electron affinity (EA), as a core …

Investigation Of The 4-Amino-Α,Α-Dihydroxy-3,5-Dichloroacetophenone Impurity In The Synthesis Of Clenbuterol Hydrochloride, Kerry Moore

Theses and Dissertations

Clenbuterol Hydrochloride is a bronchodilator marketed as Spirospent® for Human Pharmaceuticals and as Ventipulmin® for Veterinary Pharmaceuticals by Boehringer Ingelheim.1 This research investigates formation of the 4-amino-α,α-dihydroxy-3,5-dichloroacetophenone impurity (Dihydroxy Impurity) in the synthesis of Clenbuterol Hydrochloride. The Dihydroxy Impurity has increased three-fold since the process was transferred to Boehringer Ingelheim Chemicals, Inc. in 1999.1 The Dihydroxy Impurity is proposed to be produced during an amination/reduction step from a reaction of water with the starting material.2 Additionally, the Dihydroxy Impurity can be formed by the reaction of water with an impurity, 4-amino-α,α-didibromo-3,5-dichloroacetophenone (Dibromo Impurity), that is generated in the previous step.2 …

Characterizing Cancellation Graphs, Cristina Mullican

Theses and Dissertations

A cancellation graph G is one for which given any graph C, we have G\times C\cong X\times C implies G\cong X. In this thesis, we characterize all bipartite cancellation graphs. In addition, we characterize all solutions X to G\times C\cong X\times C for bipartite G. A characterization of non-bipartite cancellation graphs is yet to be found. We present some examples of solutions X to G\times C\cong X\times C for non-bipartite G, an example of a non-bipartite cancellation graph, and a conjecture regarding non-bipartite cancellation graphs.

Application And Extension Of Weighted Quantile Sum Regression For The Development Of A Clinical Risk Prediction Tool, Ghalib Bello

Theses and Dissertations

In clinical settings, the diagnosis of medical conditions is often aided by measurement of various serum biomarkers through the use of laboratory tests. These biomarkers provide information about different aspects of a patient’s health and the overall function of different organs. In this dissertation, we develop and validate a weighted composite index that aggregates the information from a variety of health biomarkers covering multiple organ systems. The index can be used for predicting all-cause mortality and could also be used as a holistic measure of overall physiological health status. We refer to it as the Health Status Metric (HSM). Validation …

A Study Of The Relationship Between Childhood Body Size And Adult Blood Pressure, Cardiovascular Structure And Function, Yangyang Deng

Theses and Dissertations

BACKGROUND: Little is known of the effects of obesity, body size and body composition, and blood pressure (BP) in childhood on hypertension (HBP) and cardiac structure and function in adulthood due to the lack of long-term serial data on these parameters from childhood into adulthood. In the present study, we are poised to analyze these serial data from the Fels Longitudinal Study (FLS) to evaluate the extent to which body size during childhood determines HBP and cardiac structure and function in the same individuals in adulthood through mathematical modeling. METHODS: The data were from 412 males and 403 females in …

A Study On Investment Strategies For Retirement Planning, Megha Goel

Theses and Dissertations

The aim of the thesis is to construct an effective realistic retirement income plan for an individual investor. We propose realistic frameworks with specific inputs given by investor such as number of investment instruments, income, and length of the time period before retirement using Modern Portfolio theory. The aim is to develop a retirement framework using fundamentals of Modern Portfolio Theory as per investor’s needs on asset allocation assuming investor’s risk appetite reduces as he ages in life and worries for real retirement income planning by comparing different statistical models scenarios. In each of the Scenarios we have 3 changing …

Determination Of The Factors That Affect The Gas-Phase Reactivity Of Metal-Centered Cyclopropanation Catalysts And Examination Of The Properties Of Their Reaction Products, Jamal Aldajaei

Theses and Dissertations

Gas phase studies of organometallic systems have provided deep insight into reaction mechanisms and reaction intermediates. In this thesis, several metal/ligand systems were examined in an effort to form metal carbenes in the gas phase. With cobalt and iron porphyrins, the carbene undergoes metal-ligand insertion. With copper bis-oxazolines, metal carbenes tend to undergo metal-ligand insertion and a Wolff rearrangement. To avoid insertions, we turned to a rigid ligand, 1, 10-phenanthroline. Under ESI conditions, a copper (I) complex with phenanthroline can be formed. When treated with diazoacetate esters, the dominant product results from addition with loss of nitrogen followed by loss …

Synthesis And Characterization Of Cobalt Carbide Based Nanomaterials, Zachary Huba

Theses and Dissertations

Permanent magnets are used heavily for multiple applications in industry and current electronic technologies. However, the current permanent landscape is muddled by high cost of materials and insufficient magnetic or thermal properties. The primary focus of this dissertation work is the synthesis and optimization of a new permanent magnetic material, in the form of cobalt carbide nanomaterials. The optimization revolved around controlling the crystal phase and particle shape of synthesized cobalt carbide particles; these parameters have significant impact on the observed magnetic properties of magnetic nanoparticles. Co₃C was identified to be the preferred crystal phase, leading to better …

Enhanced Magnetic Anisotropy In Cobalt-Carbide Nanoparticles, Ahmed A. El-Gendy, Meichun Qian, Zachary J. Huba, Shiv N. Khanna, Everett E. Carpenter

Chemistry Publications

An outstanding problem in nano-magnetism is to stabilize the magnetic order in nanoparticles at room temperatures. For ordinary ferromagnetic materials, reduction in size leads to a decrease in the magnetic anisotropy resulting in superparamagnetic relaxations at nanoscopic sizes. In this work, we demonstrate that using wet chemical synthesis, it is possible to stabilize cobalt carbide nanoparticles which have blocking temperatures exceeding 570 K even for particles with magnetic domains of 8 nm. First principles theoretical investigations show that the observed behavior is rooted in the giant magnetocrystalline anisotropies due to controlled mixing between C p- and Co d-states.

Nanoconfined Water Under Electric Field At Constant Chemical Potential Undergoes Electrostriction, Davide Vanzo, D. Bratko, Alenka Luzar

Chemistry Publications

Electric control of nanopore permeation by water and solutions enables gating in membrane ion channels and can be exploited for transient surface tuning of rugged substrates, to regulate capillary permeability in nanofluidics, and to facilitate energy absorption in porous hydrophobic media. Studies of capillary effects, enhanced by miniaturization, present experimental challenges in the nanoscale regime thus making molecular simulations an important complement to direct measurement. In a molecular dynamics (MD) simulation, exchange ofwater between the pores and environment requires modeling of coexisting confined and bulk phases, with confined water under the field maintaining equilibrium with the unperturbed environment. In the …

Unconventional Hydrogen Bonding To Organic Ions In The Gas Phase: Stepwise Association Of Hydrogen Cyanide With The Pyridine And Pyrimidine Radical Cations And Protonated Pyridine, Ahmed M. Hamid, M. Samy El-Shall, Rifaat Hilal, Shaaban Elroby, Saadullah G. Aziz

Chemistry Publications

Equilibrium thermochemical measurements using the ion mobility drift cell technique have been utilized to investigate the binding energies and entropy changes for the stepwise association of HCN molecules with the pyridine and pyrimidine radical cations forming the C5H5N^+· (HCN)nand C4H4N2 ^+· (HCN)n clusters, respectively, with n = 1–4. For comparison, the binding of 1–4 HCN molecules to the protonated pyridine C5H5NH⁺(HCN)n has also been investigated. The binding energies of HCN to the pyridine and pyrimidine radical cations are nearly equal (11.4 and 12.0 kcal/mol, respectively) but weaker than the HCN binding to the protonated pyridine (14.0 kcal/mol). …

Wetting Transparency Of Graphene In Water, J. Driskill, D. Vanzo, D. Bratko, A. Luzar

Chemistry Publications

Measurements of contact angle on graphene sheets show a notable dependence on the nature of the underlying substrate, a phenomenon termed wetting transparency. Our molecular modeling studies reveal analogous transparency in case of submerged graphene fragments in water. A combined effect of attractive dispersion forces, angle correlations between aqueous dipoles, and repulsion due to the hydrogen-bond-induced orientation bias in polarized hydration layers acting across graphene sheet, enhances apparent adhesion of water to graphene. We show wetting free energy of a fully wetted graphene platelet to be about 8 mNm−1 lower than for graphene wetted only on one side, which gives …

Contents

Journal of Mathematics and Science: Collaborative Explorations

No abstract provided.

Principals Partnering To Build A Vision For School Mathematics, V. Inge, V. Hodges, P. Robertson

Journal of Mathematics and Science: Collaborative Explorations

No abstract provided.

Journal Of Mathematics And Science: Collaborative Explorations

Journal of Mathematics and Science: Collaborative Explorations

No abstract provided.

Learning Together: Using Action Research To Design Professional Development, M. Alger, R. White

Journal of Mathematics and Science: Collaborative Explorations

After being part of a week-long math institute, both the principal and the Mathematics Specialist from an urban school district partnered to develop a professional development plan. It incorporated a Lesson Study Model that supported collaborative learning teams, focused on the instructional process, and incorporated reflection and feedback. Although the faculty had engaged in other forms of professional development, the lesson study process was seen as a powerful vehicle that invited a level of coaching and cross-collaboration. This article focuses on the shared viewpoints of the principal and the Mathematics Specialist who worked together to build a mechanism for professional …

Partnering With Principals Through Formal And Informal Professional Development, V. Bohidar

Journal of Mathematics and Science: Collaborative Explorations

Mathematics Specialists and administrators need to define what they should see students and teachers doing in classrooms that promote proficiency and understanding in mathematics. Formal, divisionwide professional development on this topic can quickly guide and inform a large group of administrators in one setting. However, potentially more powerful professional development can occur on a small scale one building at a time through mathematics department learning walks.

A Collaborative Approach: Two Perspectives, B. Chong, M. Farrelly

Journal of Mathematics and Science: Collaborative Explorations

This article is a story of collaboration between a principal, Baek Chong, and the mathematics coach, Megan Farrelly. This article shows both perspectives: Baek's thoughts are written in regular typeface, whereas Megan's perspective is italicized. Both educators work at Mark Twain Middle School in Fairfax County Public Schools in Virginia which has nearly 900 seventh- and eighth-grade students. Twain Middle School serves a diverse population, of which about 35% of the students arc on free or reduced lunch, 15% receive special education services, 14% receive English language services, and 40% of the students are in the advanced academics program.

The Greater Sum Of Collaboration: Adding Value To Mathematics Education Through Teamwork, J. Deinhart, T. Hulen, B. Butler, D. Kerr

Journal of Mathematics and Science: Collaborative Explorations

The role of a Mathematics Specialist can vary from pre-K through grade 8 schools. One of the most distinguishing factors involves the relationship between the Mathematics Specialists, administrators, and teachers. In this article, we share our experiences in a school culture that supports common language, collective commitments, trust, and transparency. Using this model, we have experienced high levels of teacher professionalism and student success. As lifelong learners, we continually reflect upon our practices and look for ways to meet the needs of our students. This occurs by implementing purposeful meeting structures that allow us to facilitate discussions around mathematics content, …

Developing A New Partnership, T. Martino, S. Chuang

Journal of Mathematics and Science: Collaborative Explorations

Many factors contribute to the success and impact of a Mathematics Resource Teacher on K-5 mathematics instruction. Developing a strong partnership with stakeholders and sharing a common vision for quality mathematics instruction are key factors in the successful implementation of the Mathematics Resource Teacher program. In this article, we share the experience of elementary school principal, Timothy Martino, as he prepared to open a new elementary school in August 2012. Frederick Douglass Elementary opened with a full-time, school-embedded Mathematics Resource Teacher, Mrs. Cindy Brady. Timothy Martino and Mrs. Brady developed a partnership with division-level central office staff and with the …

Cluster-Grouping, Co-Teaching, And Professional Learning Communities Focused On Mathematics Instruction Lead To Improved Engagement And Achievement In Mathematics For Students, K. Schaffner, L. West, A. Miknis, R. Ward, A. Foreman

Journal of Mathematics and Science: Collaborative Explorations

No abstract provided.

Aims & Scope

Journal of Mathematics and Science: Collaborative Explorations

No abstract provided.

R Code To Accompany “Principal Component Analysis And Optimization: A Tutorial”, Robert Reris, J. Paul Brooks

Statistical Sciences and Operations Research Data

This data accompanies "Principal Component Analysis and Optimization: A Tutorial" by Robert Reris and J. Paul Brooks, presented at the 2015 INFORMS Computing Society Conference, Operations Research and Computing: Algorithms and Software for Analytics, Richmond, Virginia January 11-13, 2015.

The data contains R code, output, and comments that follow the examples for principal component analysis in the paper.

Astroecology, Cosmo-Ecology, And The Future Of Life, Michael Noah Mautner

Chemistry Publications

Astroecology concerns the relations between life and space resources, and cosmo-ecology extrapolates these relations to cosmological scales. Experimental astroecology can quantify the amounts of life that can be derived from space resources. For this purpose, soluble carbon and electrolyte nutrients were measured in asteroid/meteorite materials. Microorganisms and plant cultures were observed to grow on these materials, whose fertilities are similar to productive agricultural soils. Based on measured nutrient contents, the 10²² kg carbonaceous asteroids can yield 10¹⁸ kg biomass with N and P as limiting nutrients (compared with the estimated 10¹⁵ kg biomass on Earth). These data …

A Novel Two-Laser Interface For Coupling Capillary Electrochromatography With Ion-Trap Time-Of-Flight Mass Spectrometry, David C. Simpson, Alexander J. Yates, John H. Knox, Pat R.R. Langridge-Smith

Chemistry Publications

An interface has been developed for the hyphenation of capillary electrochromatography (CEC) with mass spectrometry (MS). Chromatographic eluate vaporization and selective analyte ionization occur within a quadrupole ion-trap, which permits significant instrument simplification when compared with the atmospheric pressure interfaces typically used for CEC-MS. Vaporization is achieved using laser desorption at 1064 nm while ionization is accomplished through UV photoionization. This two-step approach, through ionization laser wavelength selection, can provide ultratrace analysis with high selectivity. The mass spectrometer is a hybrid ion-trap time-of-flight (TOF) instrument in which the ion-trap is used in radio frequency-only mode, with DC-pulse ejection, to provide …

Proton-Bound Dimers Of Nitrogen Heterocyclic Molecules: Substituent Effects On The Structures And Binding Energies Of Homodimers Of Diazine, Triazine, And Fluoropyridine, Isaac K. Attah, Sean P. Platt, Michael Mautner, M. S. El-Shall, Saadullah G. Aziz, Abdulrahman O. Alyoubi

Chemistry Publications

The bonding energies of proton-bound homodimers BH⁺B were measured by ion mobilityequilibrium studies and calculated at the DFT B3LYP/6-311++G^{* *} level, for a series of nitrogen heterocyclic molecules (B) with electron-withdrawing in-ring N and on-ring F substituents. The binding energies (ΔH°dissoc) of the proton-bound dimers (BH⁺B) vary significantly, from 29.7 to 18.1 kcal/mol, decreasing linearly with decreasing the proton affinity of the monomer (B). This trend differs significantly from the constant binding energies of most homodimers of other organic nitrogen and oxygen bases. The experimentally measured ΔH°dissoc for (1,3-diazine)2H⁺, i.e., (pyrimidine)2H⁺ and …