Physical Sciences and Mathematics Commons^™

The Potlib As A Means Of Disseminating Pess, Ronald Duchovic

Ronald J. Duchovic

No abstract provided.

A Global Analytic Pes For H + O2 Oh + O And The Potlib 2001 Library, Ronald Duchovic

Ronald J. Duchovic

No abstract provided.

Conventional Transition State Theory/Rice-Ramsperger-Kassel-Marcus Theory Calculations Of Thermal Termolecular Rate Coefficients For H(D) + O2 + M, Ronald Duchovic, J Pettigrew, B Welling, T Shipchandler

Ronald J. Duchovic

Several ab initio studies have focused on the minimum energy path region of the hydroperoxyl potential energy surface (PES) [J. Chem. Phys. 88, 6273 (1988)] and the saddle point region for H‐atom exchange via a T‐shaped HO2 complex [J. Chem. Phys. 91, 2373 (1989)]. Further, the results of additional calculations [J. Chem. Phys. 94, 7068 (1991)] have been reported, which, when combined with the earlier studies, provide a global description (but not an analytic representation) of the PES for this reaction. In this work, information at the stationary points of theab initio PES is used within the framework of conventional …

Teaching Science To The Non-Science Major: An Interdisciplinary Approach, Ronald Duchovic, David Maloney, A Majumdar, R Manalis

Ronald J. Duchovic

No abstract provided.

Lessons Learned From An Interdisciplinary Course In Undergraduate Science, Ronald Duchovic

Ronald J. Duchovic

This chapter discusses the team teaching of an interdisciplinary science course intended for non-science majors at IPFW. The course was taught by an interdisciplinary team of scientists and mathematicians (biology, chemistry, geosciences, mathematics, and physics) at IPFW in the early 1990s.

Theoretical Characterization Of The Minimum Energy Path For Hydrogen Atom Addition To N2: Implications For The Unimolecular Lifetime Of Hn2, S Walch, Ronald Duchovic, C Rohlfing

Ronald J. Duchovic

The minimum energy path (MEP) for the addition of a hydrogen atom to N2 is characterized in CASSCF/externally contracted CI calculations using a [4s3p2d1f/3s2p1d] ANO basis set, with additional single point calculations at the stationary points of the potential energy surface using a [5s4p3d2f/4s3p2s] ANO basis set. These calculations represent the most extensive set of ab initio calculations on HN2 completed to date, yielding a zero-point corrected barrier for HN2 dissociation of ?8.5 kcal mol-1. The lifetime of the HN2 species is estimated from the calculated geometries and energetics using both conventional transition state theory and a method which utilizes …

Improving Conservation Community Group Effectiveness Using Mind Mapping And Action Research, Hanabeth Luke, David Lloyd, William Boyd, Kristin Den Exter

Dr Kristin den Exter

No abstract provided.

Age And Provenance Of Eocene Volcanic Rocks At Hominy Peak, Northern Teton Range, Wyoming: Implications For The Emplacement Of The Heart Mountain Slide, D. Malone, John Craddock, L/ Tranel, M. Mustain

John Craddock

No abstract provided.

Age And Provenance Of The Eocene Crandall Conglomerate: Implications For The Emplacement Of The Heart Mountain Slide, D. Malone, J. Breeden, John Craddock, M. Anders, A. Macnamee

John Craddock

No abstract provided.

The Effects Of A Weak Alternating Magnetic Field On Glutamic Acid, Carston Work, Ben Pound

Ben Pound

There has been substantial research showing the effects of Extremely Low Frequency Electromagnetic Fields (ELF-EMF) on various properties of liquids, among the most notable being the acidity of a solution. ELF-EMFs have amplitudes typically measured on the scale of microteslas, and have frequencies comparable to the cyclotron frequency of the molecule its ionic form. It is hypothesized that the magnetic field changes the coordination of water, which in turn affects the pH of the solution. This is difficult to measure directly, but it can be measured by adding a molecule that can be detected by IR spectroscopy that is sensitive …

Structural Analysis Of Alpha-Fetoprotein (Afp)-Like Peptides With Anti-Breast-Cancer Properties, Berhane Temelso, Katherine Alser, Arianne Gauthier, Amber Palmer, George Shields

Berhane Temelso

The abundance of alpha-fetoprotein (AFP), a natural protein produced by the fetal yolk sac during pregnancy, correlates with lower incidence of estrogen receptor positive (ER+) breast cancer. The pharmacophore region of AFP has been narrowed down to a four amino acid (AA) region in the third domain of the 591 AA peptide. Our computational study focuses on a 4-mer segment consisting of the amino acids threonine-proline-valine-asparagine (TPVN). We have run replica exchange molecular dynamics (REMD) simulations and used 120 configurational snapshots from the total trajectory as starting configurations for quantum chemical calculations. We optimized structures using semiempirical (PM3, PM6, PM6-D2, …

Hydration Of The Bisulfate Ion: Atmospheric Implications, Devon Husar, Berhane Temelso, Alexa Ashworth, George Shields

Berhane Temelso

Using molecular dynamics configurational sampling combined with ab initio energy calculations, we determined the low energy isomers of the bisulfate hydrates. We calculated the CCSD(T) complete basis set (CBS) binding electronic and Gibbs free energies for 53 low energy isomers of HSO4–(H2O)n=1–6 and derived the thermodynamics of adding waters sequentially to the bisulfate ion and its hydrates. Comparing the HSO4–/H2O system to the neutral H2SO4/H2O cluster, water binds more strongly to the anion than it does to the neutral molecules. The difference in the binding thermodynamics of HSO4–/H2O and H2SO4/H2O systems decreases with increasing number of waters. The thermodynamics for …

Structures Of Cage, Prism, And Book Isomers Of Water Hexamer From Broadband Rotational Spectroscopy, Cristóbal Pérez, Matt Muckle, Daniel Zaleski, Nathan Seifert, Berhane Temelso, George Shields, Zbigniew Kisiel, Brooks Pate

Berhane Temelso

Theory predicts the water hexamer to be the smallest water cluster with a three-dimensional hydrogen-bonding network as its minimum energy structure. There are several possible low-energy isomers, and calculations with different methods and basis sets assign them different relative stabilities. Previous experimental work has provided evidence for the cage, book, and cyclic isomers, but no experiment has identified multiple coexisting structures. Here, we report that broadband rotational spectroscopy in a pulsed supersonic expansion unambiguously identifies all three isomers; we determined their oxygen framework structures by means of oxygen-18–substituted water (H218O). Relative isomer populations at different expansion conditions establish that the …

Quantum Mechanical Study Of Sulfuric Acid Hydration: Atmospheric Implications, Berhane Temelso, Thomas Morrell, Robert Shields, Marco Allodi, Elena Wood, Karl Kirschner, Thomas Castonguay, Kaye Archer, George Shields

Berhane Temelso

The role of the binary nucleation of sulfuric acid in aerosol formation and its implications for global warming is one of the fundamental unsettled questions in atmospheric chemistry. We have investigated the thermodynamics of sulfuric acid hydration using ab initio quantum mechanical methods. For H2SO4(H2O)n where n = 1–6, we used a scheme combining molecular dynamics configurational sampling with high-level ab initio calculations to locate the global and many low lying local minima for each cluster size. For each isomer, we extrapolated the Møller–Plesset perturbation theory (MP2) energies to their complete basis set (CBS) limit and added finite temperature corrections …

Quantum Chemical Modeling Of Atmospheric Free Radical Production From Vinyl Hydroperoxides, Keith Kuwata

Keith Kuwata

No abstract provided.

A Study Of Flipping Vs. Not Flipping In Applied Calculus, Lori Ziegelmeier

Lori Beth Ziegelmeier

No abstract provided.

A Framework For Creating Active And Healthy Communities: A Case Study Of The Gold Coast, Bhishna Bajracharya, Linda Too, Isara Khanjanasthiti

Linda Too

Poor modern lifestyle choices have led to a burgeoning health concern for various government agencies prompting urgent review and action. Whilst the health sector has the primary role in addressing health issues, town planning can also contribute to better health by providing supportive environments for an active and healthy lifestyle. Local councils and other decision makers have a fundamental role in promoting healthy lifestyles among local community members through city planning and implementing physical activity and health programs. This research paper has two primary objectives. First, it develops an integrated 3-P (Place, Program and Partnership) framework for promoting active and …

A Framework For Creating Active And Healthy Communities: A Case Study Of The Gold Coast, Bhishna Bajracharya, Linda Too, Isara Khanjanasthiti

Bhishna Bajracharya

Poor modern lifestyle choices have led to a burgeoning health concern for various government agencies prompting urgent review and action. Whilst the health sector has the primary role in addressing health issues, town planning can also contribute to better health by providing supportive environments for an active and healthy lifestyle. Local councils and other decision makers have a fundamental role in promoting healthy lifestyles among local community members through city planning and implementing physical activity and health programs. This research paper has two primary objectives. First, it develops an integrated 3-P (Place, Program and Partnership) framework for promoting active and …

Australian Bid Cost Benchmarking Of Public Private Partnerships, Michael Regan, Jim Smith, Peter Love

Michael Regan

Bid costs are essentially a concern of private companies and evidence is difficult to source from companies keen to safeguard their cost structures in a competitive bid market. Little evidence is available from the product disclosure statements of public companies or published statutory or Securities Exchange returns. Few companies disclose detailed information although there is wide use of generic “rules of thumb” for different project categories and most companies engaged in the PPP market are unwilling to provide information other than in anecdotal form. This paper reviews empirical and pilot survey evidence to ascertain bid cost benchmarks for public private …

Financing Mechanisms For Public Private Partnerships: Australian Experience, Michael Regan, Jim Smith, Peter Love

Michael Regan

Recent events in international capital markets has had major impact on the ongoing rollout of Public Private Partnerships (PPPs) and slowed their use. Capital has been hard to source especially for projects over $300 million, the patronage risk model for economic infrastructure is no longer available, debt is more expensive than it was 18 months ago and credit risk insurance is no longer readily available. This has affected bid markets and slowed the delivery of new infrastructures with longer-term implications for economic performance across the whole economy.

Comparing Project Costs Internationally: Methodology And Data Issues, Rick Best

Rick Best

It is not uncommon to see or hear statements that suggest that the cost of a project in one country is some multiple of the cost in another. Whether the claim is that it is more or less costly is irrelevant – the fact is that such statements are often meaningless yet governments and clients are all too ready to accept such claims and act on them in their decision-making. In some cases relative cost, however poorly calculated, is used as the basis for conclusions regarding relative productivity in industries such as construction. Arriving at truly comparable costs between countries …

Stratigraphy, Paleoenvironments, And Correlation Of The Upper Ordovician Tate Member Of The Ashlock Formation At Point Leavell, Kentucky, N. Flores, Benjamin Dattilo, S. Mosser, J. Mosser, P. Bremer, J. Moffett, M. Harrison

Benjamin F. Dattilo

No abstract provided.

Shales And Shell Beds, Storms And Starvation, Substrate And Fossils: Exploring The Ecological And Evolutionary Impact Of Mud Sedimentation In The Cincinnati Ordovician, Benjamin Dattilo, D. Meyer, M. Harrison

Benjamin F. Dattilo

No abstract provided.

The Importance Of Peritidal Muds And Siliciclastic Phase Reversal In Understanding Cincinnatian Cyclogenesis, Benjamin Dattilo, S. Mosser, N. Flores, M. Harrison, J. Moffett

Benjamin F. Dattilo

No abstract provided.

Escape Traces Associated With Rafinesquina Alternata, An Upper Ordovician Strophomenid Brachiopod From The Cincinnati Region, Ohio, Indiana, And Kentucky, Benjamin Dattilo, D. Meyer, K. Dewing, M. Gaynor

Benjamin F. Dattilo

No abstract provided.

Stratigraphy, Paleoenvironments And Correlation Of The Lower Part (C2-C3 Boundary) Of An Outcrop Of Upper Ordovician Rocks Near Fredericktown, Kentucky, S. Mosser, Benjamin Dattilo, N. Flores, J. Moffett, J. Mosser, P. Bremer

Benjamin F. Dattilo

No abstract provided.

Taphonomy Of The Joanna Track Site, Cretaceous Glen Rose Formation: Is The Shrimp Mightier Than The Dinosaur?, Michael Blair, Benjamin Dattilo, Lydia Mark, James Farlow, Jerry Jacene, Shelley Mcfadin

Benjamin F. Dattilo

Dinosaur trackways are common in the Cretaceous Glen Rose Formation of central Texas. While the trackways in Dinosaur Valley State Park are well known, many other sites can be found in this region. Recently, a new track site was discovered during construction in Glen Rose, Texas. The Joanna Track Site features tridactyl tracks which have been partly obliterated by invertebrates burrowing through the thick mud which buried them.

We measured and described the interval from 0.3 m below the track layer through 2.7 m above it in a vertical outcrop directly adjacent to the track site. Samples were collected in …

Microstratigraphic Analysis Of Burrow-Reworked Dinosaur Track Bed At Joanna's Track Site, Cretaceous Glen Rose Formation, Glen Rose, Texas, Michael Blair, Benjamin Dattilo, Anthony Martin, James Farlow

Benjamin F. Dattilo

Although dinosaur trackways are common in the Cretaceous Glen Rose Formation of Texas, the recently discovered Joanna track site illustrates a unique ichnological relationship where dinosaur tracks were disrupted by invertebrate burrows made long after burial. In an effort to document the precise sequence of events, we described the interval from 0.3 m below the track layer through 2.7 m above it in a vertical outcrop adjacent to the track site, focusing on the 70-cm of strata immediately above the track horizon. An 8-meter N-S cross-section of this 70-cm interval was power-washed, examined for trace fossils, body fossils, and lithology …

Early Ordovician Mitrates And A Possible Solute (Echinodermata) From The Western United States, Colin Sumrall, James Sprinkle, Thomas Guensburg, Benjamin Dattilo

Benjamin F. Dattilo

Two new kirkocystid mitrate stylophorans (Echinodermata, Homalozoa) and a new possible solute (Echinodermata, Homalozoa) are described from the Early Ordovician of the western United States. The mitrates are among the earliest members of their clade to appear near the beginning of the Ordovician Radiation. Anatifopsis ninemilensis new species comes from the Ninemile Shale in central Nevada and the McKelligon Canyon Formation in west Texas. Anatifopsis fillmorensis new species comes from the middle Fillmore Formation in western Utah and a Ninemile Shale equivalent limestone bed in southern Nevada. The possible solute Drepanocystis dubius new genus new species from the lower Wah …

Push Me – Pull You: Experimental Biomechanics Of Immobile Suspension Feeders On Soft Substrates, Roy Plotnick, Benjamin Dattilo, Joshua Corrie, Daniel Piquard, Jennifer Bauer

Benjamin F. Dattilo

Immobile suspension feeders on soft substrates (ISOSS; Thayer 1979) although rare in modern marine habitats, were relatively common in the Paleozoic. Numerous Paleozoic taxa have been interpreted as dwelling on soft unconsolidated sediments and possessing morphologic features that either anchor them to the sea floor (e.g., crinoid holdfasts) or prevent them from sinking in (strophomenid brachiopods). Thayer (1975) reviewed the morphologic adaptations for forms living on soft-muddy bottoms and provided a quantitative expression of the static stresses involved. The same quantitative expression can also be used to describe the forces involved in anchoring. With the exception of Leighton and Savarese …