Physical Sciences and Mathematics Commons^™

Nitroalkane Anomaly: Computational Study With Cluster And Continuum Modeling, H. Yamataka, Salai Cheettu Ammal

Faculty Publications

The origin of anomalous relation between rates and equilibria for the proton-transfer reactions of nitroalkanes, known as nitroalkane anomaly, was investigated by theoretical calculations with a cluster model, in which three water molecules are explicitly considered in the system, as well as the PCM solvent continuum model. For the CH3NO2/CH3CH2NO2 system, B3LYP and MP2 computations reproduced the anomaly, and the imbalance in the charge distribution at the transition state (TS) was observed. In contrast, although the TS imbalance was detected for the substituted phenylnitromethane system, the Brønsted plots did not show any anomaly. The experimentally observed abnormally large Brønsted coefficient …

Enhancement Of Wetlands Management In Virginia: Cumulative Impact Assessment Final Report, Center For Coastal Resources Management

Reports

New protocols and procedures are needed to effectively implement many aspects of the new Virginia nontidal wetlands regulatory program. Effective implementation of the charge to assess and consider cumulative impacts of a proposed project on water quality and fish and wildlife resources will require a consistent and technically based assessment protocol implemented on a watershed basis. This project is the first step in development of the protocol for cumulative impact assessment.

The first step in the process was to review extant literature on cumulative impact assessment in wetlands and to review methods developed for this purpose. These reviews are an …

The Chesapeake Bay : A Synopsis, William J. Hargis Jr.

Reports

No abstract provided.

Table Of Contents

Journal of the South Carolina Academy of Science

No abstract provided.

Ft-Ir Studies Of Stereo Regular Pmma On Silica: Drying Effects, Bing Zhang, Suntree Kulkeratiyut, Suriyaphongse Kulkeratiyut, Frank D. Blum

Chemistry Faculty Research & Creative Works

A great amount of work has been done on the configuration of surface adsorbed poly(methyl methacrylate) (PMMA), especially on surfaces to which they have a strong attraction. Some studies have been make on the relationships between configuration and tacticity, molecular weight, adsorbed amount, and density of surface hydroxyl groups. The effect of tacticity on the conformation of alumina-adsorbed PMMA in solution and dry spin-coated films were studied by Grohen et al. Their results showed that surface-adsorbed PMMA chains adopted a relatively flat configuration, but iso-PMMA (isotactic) adsorbed on aluminum, with a much larger fraction of the bound carbonyl groups, had …

President's Message

Journal of the South Carolina Academy of Science

No abstract provided.

Par Mediation Of Thrombin-Induced Effects On Motoneurons, Nadim Salman, Drew Watkins, Kate Hamel, Lakisha Gadsden, Sarah Funderburk, Victoria Turgeon

Journal of the South Carolina Academy of Science

No abstract provided.

Some Notes On Multiplicative Congruential Random Number Generators With Mersenne Prime Modulus 261-1., James Harris

Journal of the South Carolina Academy of Science

No abstract provided.

Embryogenesis In The Japanese Medaka, Oryzias Latipes, Laura Harris Harris, Lisa Sims, Roxann Stachiw

Journal of the South Carolina Academy of Science

No abstract provided.

Critical Thinking And Biology Instruction., David J. Stroup, John L. Frola

Journal of the South Carolina Academy of Science

No abstract provided.

Late-Holocene Climate And Ecosystem History From Chesapeake Bay Sediment Cores, Usa, Debra A. Willard, Thomas M. Cronin, Stacey Verardo

United States Geological Survey: Staff Publications

Palaeoclimate records from late-Holocene sediments in Chesapeake Bay, the largest estuary in the USA, provide evidence that both decadal to centennial climate variability and European colonization had severe impacts on the watershed and estuary. Using pollen and dinoflagellate cysts as proxies for mid-Atlantic regional precipitation, estuarine salinity and dissolved oxygen (DO) during the last 2300 years, we identified four dry intervals, centred on ad 50 (P1/D1), ad 1000 (P2/D2), ad 1400 (P3) and ad 1600 (P4). Two centennial-scale events, P1/D1 and P2/D2, altered forest composition and led to increased salinity and DO levels in the estuary. Intervals P3 and P4 …

Molecular Dynamics Simulation Of The Order- Disorder Phase Transition In Solid Nano2, Wei-Guo Yin, Chun-Gang Duan, Wai-Ning Mei, Jianjun Liu, Robert W. Smith, John R. Hardy

Physics Faculty Publications

We present molecular dynamics simulations of solid NaNO2 using pair potentials with the rigid-ion model. The crystal potential surface is calculated by using an a priori method which integrates the ab initio calculations with the Gordon-Kim electron gas theory. This approach is carefully examined by using different population analysis methods and comparing the intermolecular interactions resulting from this approach with those from the ab initio Hartree-Fock calculations. Our numerics show that the ferroelectric-paraelectric phase transition in solid NaNO2 is triggered by rotation of the nitrite ions around the crystallographical c axis, in agreement with recent x-ray experiments @Gohda et al., …

Comparison Of The Theoretical And Experimental Band Structure Of Poly (Vinylidene Fluoride) Crystal, Chun-Gang Duan, Wai-Ning Mei, John R. Hardy, Stephen Ducharme, Jaewu Choi, Peter A. Dowben

Physics Faculty Publications

The electronic structure and band symmetries of the ferroelectric phase of poly (vinylidene fluoride) (PVDF) are studied by using the first-principles density-functional method. Our calculated results agree well with the angle-resolved photoemission experiments. We find that the PVDF crystal has an energy gap of about 6 eV at the Γ-point. Large dispersion of the valence band is found only along the chain direction, which is consistent with the quasi-one-dimensional nature of PVDF. In particular, the band symmetries of the valence states deduced theoretically are in good agreement with experiment. Finally, further investigations on the electronic structure of poly(trifluoroethylene) (PTrFE) …

Tracers Of Wood Smoke, M. A. K. Khalil, R. A. Rasmussen

Physics Faculty Publications and Presentations

Smoke from wood burning is a significant source of air pollution in many parts of the world. When several sources simultaneously cause air pollution, it is often difficult to determine how much comes from wood burning. Woodsmoke has unique chemical characteristics that can be used as indicators, including elemental composition, particularly potassium and chlorine, the ratios of organic and elemental carbon, and gases such as methyl chloride. This paper deals with formulating and applying the chemical mass balance approach incorporating both gas- and aerosol-phase tracers to a study carried out at Olympia-Lacey in Washington. In this study, three types of …

Dynamics Of Bulk And Adsorbed Poly(Vinyl Acetate), Frank D. Blum, Robert D. O'Connor

Materials Science and Engineering Faculty Research & Creative Works

We have recently completed a series of experiments on methyl-labeled poly(vinyl acetate)-d3, (PVAc-d3)1 and poly(methyl acrylate)-d3 (PMA-d3).234 the systems have been studied as a function of the adsorbed amount, molecular weight, and presence of a protonated overlayer. Using deuterium line shape analysis, we have found that around the glass transition temperature, the adsorbed polymers show the presence of a motional gradient. Polymer segments near the silica-polymer interface have less mobility than the bulk polymer and those near the polymer-air interface are more mobile than those of the bulk polymer. A schematic representation of the motional gradient is shown in Figure …

Agent Chameleons: Virtual Agents Real Intelligence, Gregory O'Hare, Brian Duffy, Bianca Schoen-Phelan, Alan Martin, John Bradley`

Books/Book Chapters

Agent Chameleons provides virtual agents powered by real intelligence, delivering next generation autonomic entities that can seamlessly migrate, mutate and evolve on their journey between and within physical and digital information spaces.

Characterization Of The Interaction Of Gamma Cyclodextrin With Single-Walled Carbon Nanotubes, Gordon Chambers, Clodagh Carroll, Garrett Farrell, Alan Dalton, Mary Mcnamara, Marc In Het Panhuis, Hugh Byrne

Articles

In this study a number of composite-like samples of ç-cyclodextrin and HiPco carbon nanotubes were prepared. The first sample was prepared by a simple grinding procedure, which has been reported to cut HiPco carbon nanotubes. The other samples were obtained via a refluxing procedure analogous to similar studies on other fullerenes and ç-cyclodextrin. The samples were analyzed using absorption and Raman spectroscopy, and differential scanning calorimetry. The results presented show clear evidence of an intermolecular interaction between ç-cyclodextrin and single-walled carbon nanotubes.

Atlases Of Globally-Predicted Small Molecule Data. 1: Internuclear Separation, Jason V. Ileto

Capstone Research Projects

A table of globally-predicted data of internuclear separation is presented, the first of a series on molecular properties. This paper explores a novel frequency compensation of neural network inputs and a new measure of the asymmetry in the globally-predicted data.

Democratizing Science, Management, And Public Policy In The Missouri River Ecosystem: A Pilot Study Of Agricultural Producers' Amenability To Adaptive And Collaborative Management, Meghan Sittler

School of Natural Resources: Dissertations, Theses, and Student Research

Agricultural stakeholder involvement is central to the National Academy of Sciences' (NAS) National Research Council (NRC)(2002) recommendation for development and implementation of adaptive, ecosystem management principles, as well as the definition of a new management regime for the Missouri River. This document represents a pilot study of fifteen agricultural producers in three counties, Atchison County, Missouri, Fremont County, Iowa, and Otoe County, Nebraska, who were contacted via telephone and completed structured interviews. The interview questions centered upon the producers' relationship to the river, perceptions of the current management of the river, and willingness to support and participate in a proposed …

Flow Induced By Upwelling Winds In An Equatorward Facing Bay: Gulf Of Arauco, Chile, Arnoldo Valle-Levinson, Larry P. Atkinson, Dante Figueroa, Leonardo Castro

CCPO Publications

[1] Shipborne observations of hydrographic and flow velocity profiles were combined with wind velocity measurements to describe the characteristics of the wind-induced flow in an equatorward facing bay of central Chile in South America. The measurements, which were taken from two transects and one anchor station, were made during late austral spring, between 4 and 10 December 2000. Most observations concentrated on Boca Grande, a transect that crossed the deep, northern ( equatorward) entrance to the bay. The other transect crossed the smaller and shallower, westward entrance to the bay, Boca Chica. The anchor station was located inside the bay, …

Evaluation Of The Influence Of A Thioether Substituent On The Solid State And Solution Properties Of N3S-Ligated Copper(Ii) Complexes, Kyle J. Tubbs, Amy L. Fuller, Brian Bennett, Atta M. Arif, Magdalena Makowska-Grzyska, Lisa M. Berreau

Physics Faculty Research and Publications

Admixture of a N₃S(thioether) ligand having two internal hydrogen bond donors (pbnpa: N-2-(phenylthio)ethyl-N,N-bis-((6-neopentylamino-2-pyridyl)methyl)amine; ebnpa: N-2-(ethylthio)ethyl-N,N-bis-((6-neopentylamino-2-pyridyl)methyl)amine) with equimolar amounts of Cu(ClO₄)₂·6H₂O and NaX (X = Cl⁻, NCO⁻, or N₃⁻) in CH₃OH/H₂O yielded the mononuclear Cu(II) derivatives [(pbnpa)Cu–Cl]ClO₄ (1), [(ebnpa)Cu–Cl]ClO₄ (2), [(pbnpa)Cu–NCO]ClO₄ (3), [(ebnpa)Cu–NCO]ClO₄ (4), [(pbnpa)Cu–N₃]ClO₄ (5), and [(ebnpa)Cu–N₃]ClO₄ (6). Each …

History Of Sedimentation And Contamination In Valley Mill Reservoir, Springfield, Missouri, Susan S. Licher

MSU Graduate Theses

The Valley Mill Reservoir (VMR) was constructed between 1851 and 1871 and drains an important recharge area of the drinking water watershed for Springfield, Missouri. Presently, management efforts to protect downstream water quality are aimed at using VMR as a non-point pollution and sedimentation basin since its watershed is planned for continued urban development. The morphometry of VMR is typical of most reservoirs with an elongated basin and the deepest point being near the dam. Sedimentation within the reservoir has created a delta formation with upstream wetlands and floodplains acting as part of the delta especially during the past. Little …

Availability Of Humic Nitrogen To Phytoplankton, Jason Holt See

Dissertations, Theses, and Masters Projects

The chemical, physical, and biological factors affecting the bioavailability of humic nitrogen (N) to coastal phytoplankton were examined. Historically, humic substances have largely been considered biologically refractory, and humic-N is though to be unavailable biologically without prior oxidation via photochemical cleavage or remineralization by bacteria. This is due in part to the high aromaticity and low N content of humic substances. This dissertation investigates whether these assumptions are valid, and whether humic substances may be a more important source of N to the coastal phytoplankton community than previously believed. The research consisted of four main parts. First, changes in the …

Borehole Radar Attenuation-Difference Tomography During The Tracer/Time-Lapse Test At The Boise Hydrogeophysical Research Site, Sarah E. Goldstein, Tim C. Johnson, Michael D. Knoll, Warren Barrash, William P. Clement

Geosciences Faculty Publications and Presentations

A tracer test and time-lapse radar imaging experiment was conducted at the Boise Hydrogeophysical Research Site to investigate the utility of crosswell radar in imaging an electrically conductive tracer plume. A multilevel water sampling system down gradient from the tracer injection well and in the radar imaging plane was used to collect detailed, 1-dimensional, fluid electrical conductivity data during the tracer test. We compare the spatial and temporal position and concentration variations of the plume as indicated by the fluid conductivity data to those suggested by radar level run attenuation differences, shot-receiver attenuation difference crossplots, and an attenuation-difference tomogram. We …

The Journal Of Undergraduate Research: Volume 01

The Journal of Undergraduate Research

This is the complete issue of the South Dakota State University Journal of Undergraduate Research, Volume 1.

Computational Geometry Column 44, Joseph O'Rourke

Computer Science: Faculty Publications

The open problem of whether or not every pair of equal-area polygons has a hinged dissection is discussed.

Front Matter

Journal of the Iowa Academy of Science: JIAS

No abstract provided.

Editorial Board & Iowa Academy Of Science Officers And Directors

Journal of the Iowa Academy of Science: JIAS

No abstract provided.

A Key To The Eggs And Nests Of Iowa Turtles, James L. Christiansen, Jeffrey R. Parmelee

Journal of the Iowa Academy of Science: JIAS

Biologists often need to identify destroyed turtle nests where a predator has excavated and eaten the eggs. We present a dichotomous key to the eggs and nests of Iowa's turtles based on egg or nest morphology and known range of the species. Egg and nest morphology clearly separated most nests of the families Chelydridae and Kinosternidae and many of the Emydidae. However, egg morphology must be combined with known range to distinguish wood turtles (Glyptemys insculpta) from other emydids. These factors will also separate most false map turtles (Graptemys pseudogeographica) from other species. Similarities among egg morphologies, nest morphologies, and …

Awards And Recognition, Iowa Academy Of Science, 2003

Journal of the Iowa Academy of Science: JIAS

No abstract provided.