Open Access. Powered by Scholars. Published by Universities.®

Physical Sciences and Mathematics Commons™

Open Access. Powered by Scholars. Published by Universities.®

Iowa State University

Selected Works

1998

Articles 1 - 11 of 11

Full-Text Articles in Physical Sciences and Mathematics

Environmentally Responsible Manufacturing: The Development And Validation Of A Measurement Model, Sime Curkovic, Robert B. Handfield, Steven A. Melnyk, Frank L. Montabon, Robert Sroufe Nov 1998

Environmentally Responsible Manufacturing: The Development And Validation Of A Measurement Model, Sime Curkovic, Robert B. Handfield, Steven A. Melnyk, Frank L. Montabon, Robert Sroufe

Frank L. Montabon

Since the concept of Environmentally Responsible Manufacturing (ERM) is relatively new, it is not surprising to note the lack of theory-based, empirically-validated constructs and measures. Such constructs and measures are critical to the development and growth of rigorous research in this area. This paper develops and assesses such constructs and measures. Drawn from an exhaustive review of both the quality and ERM-related fields, this study uses the constructs and measures drawn from the Total Quality Management area to develop ERM-related constructs and measures. These are then evaluated using data from a survey of 526 plant managers in the U.S. automotive …

Go to article

A Kinetic Analysis Of The Conformational Flexibility Of Steroid Hormones, Steven P. Bradbury, Julian Ivanov, Ovanes Mekenyan, Gerritt Schüürmann Oct 1998

A Kinetic Analysis Of The Conformational Flexibility Of Steroid Hormones, Steven P. Bradbury, Julian Ivanov, Ovanes Mekenyan, Gerritt Schüürmann

Steven P. Bradbury

For a set of 10 androgen steroids and estradiol (E2), the kinetic feasibility of conformation flexibility of the cyclic moieties was studied under the constraint of maintaining the B/C trans and C/D trans ring fusion of the natural and biologically active enantiomer. To this end, the conformational energy surface was quantified using the semiempirical quantum chemical AM1 model. The computational analysis included the location of Conformational transition states with associated barriers, and intrinsic reaction coordinate (IRC) calculations to characterize the trajectories of the rotations and the relationships of the transition states to neighbouring chair and twist conformations. Conformational transformations were …

Go to article

Neurological Effects On Startle Response And Escape From Predation By Medaka Exposed To Organic Chemicals, Steven P. Bradbury, Richard W. Carlson, Robert A. Drummond, Dean E. Hammermeister Sep 1998

Neurological Effects On Startle Response And Escape From Predation By Medaka Exposed To Organic Chemicals, Steven P. Bradbury, Richard W. Carlson, Robert A. Drummond, Dean E. Hammermeister

Steven P. Bradbury

Simultaneous electrophysiological and behavioral studies were performed on 21–32 day old juvenile medaka (Oryzias latipes) exposed at sublethal concentrations to organic chemicals representing various modes of action. Non-invasive recordings were made of the electrical impulses generated within giant neuronal Mauthner cells, associated interneurons and motoneurons, and axial musculature, all of which initiate the startle or ‘escape’ response in fish. Timing in ms between these electrical sequelae was measured for each fish before and after 24 and 48 h exposure to a chemical. Carbaryl and phenol affected Mauthner cell to motoneuron transmission while chlorpyrifos, carbaryl, phenol and 2,4-dinitrophenol (DNP) showed neuromuscular …

Go to article

Charge-Correlation Effects In Calculations Of Atomic Short-Range Order In Metallic Alloys, F. J. Pinksi, J. B. Staunton, Duane D. Johnson Jun 1998

Charge-Correlation Effects In Calculations Of Atomic Short-Range Order In Metallic Alloys, F. J. Pinksi, J. B. Staunton, Duane D. Johnson

Duane D. Johnson

The “local” chemical environment that surrounds an atom directly influences its electronic charge density. These atomic charge correlations play an important role in describing the Coulomb and total energies for random substitutional alloys. Although the electronic structure may be well represented by a single-site theory, such as the coherent potential approximation, the electrostatic energy is not as well represented when these charge correlations are ignored. For metals, including the average effect from the charge correlation coming from only the nearest-neighbor shell has been shown to be sufficient to determine accurately the energy of formation. In this paper, we incorporate such …

Go to article

A Comparative Study Of Molecular Similarity, Statistical, And Neural Methods For Predicting Toxic Modes Of Action, Steven P. Bradbury, Subhash C. Basak, Gregory D. Grunwald, George E. Host, Gerald J. Niemi Jun 1998

A Comparative Study Of Molecular Similarity, Statistical, And Neural Methods For Predicting Toxic Modes Of Action, Steven P. Bradbury, Subhash C. Basak, Gregory D. Grunwald, George E. Host, Gerald J. Niemi

Steven P. Bradbury

Quantitative structure–activity relationship (QSAR) models are routinely used in predicting toxicologic and ecotoxicologic effects of untested chemicals. One critical factor in QSAR-based risk assessment is the proper assignment of a chemical to a mode of action and associated QSAR. In this paper, we used molecular similarity, neural networks, and discriminant analysis methods to predict acute toxic modes of action for a set of 283 chemicals. The majority of these molecules had been previously determined through toxicodynamic studies in fish to be narcotics (two classes), electrophiles/proelectrophiles, uncouplers of oxidative phosphorylation, acetylcholinesterase inhibitors, and neurotoxicants. Nonempirical parameters, such as topological indices and …

Go to article

Cyclic Deformation Behavior Of High-Purity Titanium Single Crystals: Part Ii. Microstructure And Mechanism, Xiaoli Tan, H. Guo, H. Gu, C. Laird, N. D. H. Monroe Feb 1998

Cyclic Deformation Behavior Of High-Purity Titanium Single Crystals: Part Ii. Microstructure And Mechanism, Xiaoli Tan, H. Guo, H. Gu, C. Laird, N. D. H. Monroe

Xiaoli Tan

Strain-controlled cyclic tests have been conducted on high-purity titanium single crystals with different orientations. The fatigue mechanisms of the titanium crystals were studied by means of a scanning electron microscope (SEM) and a transmission electron microscope (TEM). It was found that single slip lines, wavy slip lines, double slip lines, twins, and associated slip lines occurred in differently oriented single crystals. A new type of fractographic morphology, parallel traces, was observed. Dislocation patterns and cyclic twins, as well as the mechanical response, were analyzed. The dependence of the deformation mechanisms on the orientations of the single crystals is discussed.

Go to article

Cyclic Deformation Behavior Of High-Purity Titanium Single Crystals: Part I. Orientation Dependence Of Stress-Strain Response, Xiaoli Tan, H. Gu, C. Laird, N. D. H. Monroe Feb 1998

Cyclic Deformation Behavior Of High-Purity Titanium Single Crystals: Part I. Orientation Dependence Of Stress-Strain Response, Xiaoli Tan, H. Gu, C. Laird, N. D. H. Monroe

Xiaoli Tan

Randomly oriented single crystals of high-purity titanium were prepared by strain annealing and were subjected to multiple-step fatigue testing under strain-controlled conditions, in order to determine their cyclic stress-strain curves (CSSCs). These were found to fall into three groups, depending on orientation and the extent of slip and twinning. For those crystals oriented for single prismatic slip, a plateau was observed in the CSSCs, persistent slip bands (PSBs) occurred, and the plateau stress was 38 MPa. In a second group, oriented for prismatic slip but for which cross-slip and twinning was favored, the plateau was suppressed and the flow stresses …

Go to article

Species Delineation And The Identification Of Evolutionarily Significant Units: Lessons From The Freshwater Mussel Genus Potamilus (Bivalvia: Unionidae), Kevin J. Roe, Charles Lydeard Jan 1998

Species Delineation And The Identification Of Evolutionarily Significant Units: Lessons From The Freshwater Mussel Genus Potamilus (Bivalvia: Unionidae), Kevin J. Roe, Charles Lydeard

Kevin J. Roe

Accurate identification of biological entities is critical to the timely and efficient preservation of biodiversity. Concepts that define segments of biological diversity--species and evolutionarily significant units (ESUs)--should reflect our current knowledge of the biological world. Conflation of different hierarchical definitions of taxa has the potential to obscure distinct biological entities in need of protection. The concept of the ESU has been criticized because it includes within its definition distinct biological entities that otherwise would be recognized as species. Herein we evaluate several versions of the evolutionary significant unit concept and provide as a case study an analysis of geographic variation …

Go to article

The Role Of Ligand Flexibility In Predicting Biological Activity: Structure–Activity Relationships For Aryl Hydrocarbon, Estrogen, And Androgen Receptor Binding Affinity, Steven P. Bradbury, Ovanes G. Mekenyan, Gerald T. Ankley Jan 1998

The Role Of Ligand Flexibility In Predicting Biological Activity: Structure–Activity Relationships For Aryl Hydrocarbon, Estrogen, And Androgen Receptor Binding Affinity, Steven P. Bradbury, Ovanes G. Mekenyan, Gerald T. Ankley

Steven P. Bradbury

Recent studies indicate that the potency and agonist or antagonist activity of steroid hormone ligands are dependent, in part, on ligand–receptor binding affinity as well as the conformation of the ligand–receptor complex. The binding of ligands to hormone receptors is thought to involve interactions by which shapes of both the receptor and ligand are modified in the formation of the ligand–receptor complex. As a consequence, it is essential to explore the significance of ligand flexibility in the development of screening-level structure–activity relationships. In this review, examples are provided of techniques used to generate and screen ligand conformers in the development …

Go to article

Computational Evidence For A Free Silylium Ion, Thomas Müller, Yan Zhao, Joseph B. Lambert Jan 1998

Computational Evidence For A Free Silylium Ion, Thomas Müller, Yan Zhao, Joseph B. Lambert

Yan Zhao

Ab initio calculations are the method of choice to gain an insight into the structure and properties of silylium ions, especially when an X-ray structure cannot be obtained, as in the case of trimesitylsilylium (1). The computed structures and properties of triarylsilylium ions suggest that 1 is the first free silylium ion prepared in the condensed phase.

Go to article

Ionic Hydrogen Bonds In Bioenergetics. 3. Proton Transport In Membranes, Modeled By Ketone/Water Clusters, Michael Meot-Ner, Steve Scheiner, Edward Yu Jan 1998

Ionic Hydrogen Bonds In Bioenergetics. 3. Proton Transport In Membranes, Modeled By Ketone/Water Clusters, Michael Meot-Ner, Steve Scheiner, Edward Yu

Edward Yu

Hydrogen bond networks in protonated acetone/water clusters are stabilized by H3O+(Me2CO)2 centers, and the stabilizaton increases with further acetone content. For example, proton transfer from neat water (H2O)6H+ clusters to form mixed (Me2CO)3(H2O)3H+ clusters is exothermic by 80 kJ/mol (19 kcal/mol), due to strong hydrogen bonding of the carbonyl groups; in a series of mixed clusters B3(H2O)3H+, the stability of the hydrogen bond network correlates with the proton affinities PA(B). In diketone models of adjacent peptide links, the proton is stabilized by internal hydrogen bonds between the carbonyl groups. The internal bonds can be significant, for example, 31 kJ/mol (7 …

Go to article