Physical Sciences and Mathematics Commons^™

The Interaction Between Dislocations And Intergranular Cracks, H. Zhang, Alexander H. King, R. Thomson

Alexander H. King

The elastic interactions of dislocations and intergranular cracks in isotropic materials have been studied. In the first part of the paper, a model based on the Rice–Thomson theory is established under which the conditions for dislocation emission and crack propagation can be described in terms of an emission surface, cleavage surface, and loading line in the local k-space associated with a mixed mode intergranular crack. For a given crack, the local k-field changes with the emission of dislocations from the crack tip, which alters the balance of cleavage and emission. In the second part, we present experimental results of in …

Effect Of Hydration And Dimerization Of The Formamidine Rearrangement, Kiet A. Nguyen, Mark S. Gordon, Donald G. Truhlar

Mark S. Gordon

Ab initio molecular orbital theory is used to predict the geometry of the transition state and the energy barrier for the double-proton transfer in formamidine dimer, using SCF /6-31 G(d,p) and MP2/6-31 G(d,p) wave functions, respectively. Intramolecular hydrogen transfer in the uncomplexed monomer (I) and double-proton transfer in the mixed dimer of formamidine and water (2) are also investigated at several levels of theory. All computational levels predict the barrier for the uncomplexed reaction (I) to be approximately twicdhat for the hydrated reaction (2). Isomerization by double-proton transfer in the dimer (3) is predicted to be the most favorable process. …

Automobile Pollution Is A Disease, Donald H. Stedman

Fuel Efficiency Automobile Test Publications

Brief article printed on a grocery bag in Benicia, CA.

Evaluation Of D-Amino Acid Levels In Human Urine And In Commercial L-Amino Acid Samples, Daniel W. Armstrong, J. D. Duncan, S. C. Lee

Chemistry Faculty Research & Creative Works

Detectable levels of four free D-amino acids (phenylalanine, tyrosine, tryptophan and leucine) were found in human urine. This was accomplished using a liquid chromatographic coupled column (i.e., achiral-chiral) method that was developed for the rapid and sensitive analysis of these compounds. The technique was tested on a series of commercial L-amino acids. Care was taken to minimize racemization. Trace to percent levels of contaminating D-enantiomers were found in all commercial samples. In urine the D-amino acids ranged from several hundredths of a percent up to percent levels of the corresponding excreted natural L-amino acids. There were no apparent correlations between …

High-Resolution Photoelectron Spectrometry Study Of Conjugate Shakeup Processes In The Li 1s Threshold Region, B. Langer, J. Viefhaus, Oliver Hemmers, A. Menzel, U. Becker

Environmental Studies Faculty Publications

Partial cross sections and angular-distribution asymmetry parameters of diagram and satellite lines associated with Li 1s photoionization were measured using synchrotron-radiation excitation. Special emphasis was given to a high-resolution study of the ¹P and ³P conjugate shakeup satellite lines testing qualitative predictions of the conjugate shakeup model: increasing σ and decreasing β values towards threshold, both being verified. Comparison with recent relaxed Hartree-Fock calculations shows good agreement for the ¹P satellite, but demonstrates also that the present theory does not seem to be able to describe the cross-section behavior of the ³P satellite correctly.

Investigations Of Substitution Of Bi And Tl For Rare Earth Elements In Superconducting Rba2cu3oy, Jian Tang

Theses

Substitution of some other elements for rare earth or yttrium in high-T_c superconducting RBa₂Cu₃O_y compounds (R = Y, Nd, etc.) may improve chemical and physical properties of the materials, shed light on the superconducting mechanism of the new materials, and help to find new superconducting materials with even higher transition temperatures.

Bi³⁺ and Tl³⁺ have been reported earlier to result in higher T_c's in the related layer-structure compounds. The effect of electronegativity on superconductivity could be studied if substitution of Bi or Tl for Y or other rare earth elements …

Synthesis, Molecular Structure, And 1h Nmr Analysis Of Bis(Tetraphenylcyclopentadienyl)Ruthenium(Ii), Ray J. Hoobler, John V. Adams, Mark C. Hutton, Troy W. Francisco, Brian S. Haggerty, Arnold L. Rheingold, Michael P. Castellani

Chemistry Faculty Research

Reaction of [Ru(p-cymene)Cl₂]₂ with K(η⁵-C₅HPh₄) in refluxing diglyme yields (η⁵-C₅Ph₄)₂Ru in ca 50% yield. The complex was not susceptible to oxidation or reduction. (C₅HPH₄)₂Ru crystallizes in the triclinic P1 space group with a = 8.549(4), b = 10.793(4), c = 12.842(5) Å, α = 65.98(3), β = 73.10(3), γ = 83.49(3)° and Z = 1. The least-squares data refined to R(F) = 3.53% and R(wF = 3.82% for the …

Use Of Affinity Chromatography In Developing Acridinium Ester-Labeled Antibodies For An Immunometric Assay Of Parathyrin, David S. Hage, Bob Taylor, Pat Schryver, Pai C. Kao

David Hage Publications

In developing an immunometric assay of intact parathyrin (parathyroid hormone, PTH), we found that affinity chromatography is a useful tool in purifying and optimizing the labeling conditions for acridinium ester-labeled antibodies. ... In summary, affinity chromatography was found to be useful in the purification of acridinium ester-labeled antibodies, particularly for removing denatured antibodies from the prepared label and for monitoring the amount of active labeled antibodies produced.

In Vitro Assembly Of Apophytochrome And Apophytochrome Deletion Mutants Expressed In Yeast With Phycocyanobilin, Lily Deforce, Ken-Ichi Tomizawa, Naoko Ito, Dave Farrens, Pill-Soon Song, Masaki Furuya

Chemistry Department: Faculty Publications

Recombinant pea type I phytochrome apoprotein expressed in yeast is shown to assemble in vitro with phycocyanobilin to produce a photoreversible phytochromelike adduct. As an initial investigation of the amino acid sequence requirements for chromophore incorporation, three phyA gene product deletion mutants were produced in yeast. Truncation of the N-terminal tail to residue 46 demonstrates that this region is not critical to bilin attachment, but a deletion mutant lacking 222 amino acids from the N terminus failed to yield holophytochrome in vitro, under the same conditions. A mutant comprising a deletion of the C terminus to residue 548 …

Development Of Procedures To Determine The Fertilizer Requirements Of Annual Pasture Legumes Grown In Cereal Cropping Systems., B. H. Paynter

Experimental Summaries - Plant Research

Trials 88ME67, 88SC17, 90ME1 and 90ME2

Location: Merredin

To determine the phosphate (P) fertilizer requirements of burr medic on marginally acidic, medium textured soils and yellow serradella on acidic, light textured soils.

Trials 89ME52, 89ME55 and 86ME61

Location: Merredin

Determine the response of yellow serradella and burr medic to residual phosphate and freshly applied phosphate.

Trials 89ME50, 89ME54, 88ME67, 88SC17, 89ME60

Location: Merredin.

To measure the influence of different levels of pasture productivity (generated by different levels of P supply) and the different pasture legumes on subsequent wheat crops.

Development, Justification, And Use Of A Projection Operator In Path Integral Calculations In Continuous Space, Randall W. Hall, Melissa R. Prince

Collected Faculty and Staff Scholarship

A projection operator, similar to one previously used by us for problems with a finite set of basis functions, is suggested for use with continuous basis sets. This projection operator requires knowledge of the nodes of the density matrix at all temperatures. We show that a class of nodes, determined from the noninteracting density matrix and present at high temperatures in the interacting system are preserved to first order in the interaction at low temperatures. While we cannot show that the nodes are present at intermediate temperatures, we suspect they do exist and, as a test of this conjecture, we …

Path Integral Studies Of The 2d Hubbard Model Using A New Projection Operator, Randall W. Hall

Collected Faculty and Staff Scholarship

Feynman’s path integral formulation of quantum mechanics, supplemented by an approximate projection operator (exact in the case of noninteracting particles), is used to study the 2D Hubbard model. The projection operator is designed to study Hamiltonians defined on a finite basis set, but extensions to continuous basis sets are suggested. The projection operator is shown to reduce the variance by a significant amount relative to straightforward Monte Carlo integration. Approximate calculations are usually within one standard deviation of exact results and virtually always within two to three standard deviations. In addition, the algorithm scales with the number of discretization points …

X-Ray Study Of The Crystallization Processes In Amorphous (Zro. 64ni0. 36) 1-Xalx Alloys. [Abstract], W. D. Bruton, T. O. Callaway, Richard H. Langley, B. H. Zhang, D. G. Naugle

Faculty Publications

The short range order in (Zr_0.64Ni_0.36)_1−xAl_x metallic glasses for values of x between 0 and 0.25 was investigated using X-ray diffraction. X-ray intensity patterns and the derived structural functions for the as-quenched samples differed only slightly with the change in aluminum concentration, suggesting that the addition of aluminum does not significantly alter the relative coordination of the zirconium and nickel atoms. Only the first two alloys in the series (x = 0, 0.05) exhibited multiple transitions in the DSC thermograms. The intermediate phase for the x = 0.05 alloy has an …

Characterization Of Sh Groups In Porin Of Bovine Heart Mitochondria. Porin Cysteines Are Localized In The Channel Walls., Philadelphia University

Philadelphia University, Jordan

No abstract provided.

72. Professor Cristofor I. Simionescu On His 70th Birthday, Otto Vogl, Ioan I. Negulescu

Otto Vogl

No abstract provided.

Elucidation Of Electronic Structure By The Analysis Of Hyperfine Interactions: The Mnh A 7-Pi - X 7-Sigma(+) (0,0) Band, Thomas Varberg, R. W. Field, A. J. Merer

Thomas D. Varberg

No abstract provided.

Aspects Of Sporinite Chemistry, Michael A. Kruge, John C. Crelling, Edwin J. Hippo, Stephen R. Palmer

Department of Earth and Environmental Studies Faculty Scholarship and Creative Works

With the recent advent of the ability to separate coal into maceral concentrates of high purity, the individual constituents of coal can now be analyzed separately, without their mutual interference, giving a much better understanding of the macromolecular structure of coal. The sporinites from two Pennsylvanian age coal samples (Illinois Basin, U.S.A.) were studied, one from a vitrinite-rich high-volatile bituminous coal, the other from a liptinite-rich high-volatile bituminous coal of slightly higher rank. Sporinites were isolated from each coal by density gradient centrifugation. The sporinite of the vitrinite-rich coal was compared chemically and petrographically with the parent coal and with …

Seed Phosphorus In Wheat And Lupins, B. H. Paynter, K. Adcock, R. W. Bell, Tim Pope

Experimental Summaries - Plant Research

Trial 90NO119

Seed P in wheat.

Location: Greenhills.

Design: 2 applied P x 3 seed P x 4 replicates, sowing wheat (cv. Aroona) seed from 89N33 at 70 kg/ha on May 15, 1990.

Trial 90NO120

Seed P in wheat.

Location: York

Design: 2 applied from P x 3 seed P x 4 replicates, 89N33 at 70 kg/ha on May 25, 1990.

Trial 90NO117

Seed P in lupins

Location: Greenhills.

Design: 2 applied P x 3 seed P x 4 replicates, sowing lupins (cv. Gungurru) from 85BA35 at 100 kg/ha on May 15, 1990.

Trial 90NO118

Seed P in lupins.

Location: …

Preparation Of A Series Of Substituted N-Phenyl-5-Bromo-6-Chloro- And 5-Bromo-6-Chloronicotinates Of Potential Agricultural Interest, Frank L. Setliff, Maximillia M. Muguluma, Jody Z. Caldwell

Journal of the Arkansas Academy of Science

Substituted phenyl esters of 5-bromo-2-chloronicotinic acid and 5 bromo 6-chloronicotinic acid were prepared. The acids were first converted to their respective acid chlorides using thionyl chloride, and the acid chlorides were immediately transformed to the esters by treatment with the appropriately substituted phenol in sodium hydroxide solution. Aunique chloride displacement of bromide was observed on attempting to convert 5,6-dibromonicotinic acid to its acid chloride

Status Of Aluminum As A Risk Factor For Dialysis Encephalopathy And Alzheimer's Disease, P. B. Gorelick, D. (Daniel) B. Hier, C. Mangone, S. Robbins, A. Plioplys, S. Kathpalia

Chemistry Faculty Research & Creative Works

No abstract provided.

Stroke Recurrence Within 2 Years After Ischemic Infarction, D. (Daniel) B. Hier, M. A. Foulkes, M. Swiontoniowski, R. L. Sacco, P. B. Gorelick, J. P. Mohr, T. R. Price, P. A. Wolf

Chemistry Faculty Research & Creative Works

We Prospectively Studied Stroke Recurrence in 1,273 Patients with Ischemic Stroke Who Were Entered into the Stroke Data Bank. Median Follow-Up Was 13 Months. the 2-Year Cumulative Recurrence Rate among These Patients Was 14.1%. Age, Sex, Race, History of Hypertension, Atrial Fibrillation, or Transient Ischemic Attacks, and Stroke Location Were Not Associated with a Higher Risk of Stroke Recurrence. Patients with an Elevated Blood Pressure, an Abnormal Initial Computed Tomogram, or a History of Diabetes Mellitus Were at a Higher Risk of Stroke Recurrence. in Contrast, Patients with an Infarct of Unknown Cause Were at a Lower Risk of Stroke …

Clinical-Computed Tomographic Correlations Of Lacunar Infarction In The Stroke Data Bank, A. Chamorro, R. L. Sacco, J. P. Mohr, M. A. Foulkes, C. S. Kase, T. K. Tatemichi, P. A. Wolf, T. R. Price, D. (Daniel) B. Hier

Chemistry Faculty Research & Creative Works

Lacunar Stroke Was Diagnosed in 337 (26%) of the 1,273 Patients with Cerebral Infarction among the 1,805 Total in the Stroke Data Bank. We Analyzed the 316 Patients with Classic Lacunar Syndromes. among These, 181 (57%) Had Pure Motor Hemiparesis, 63 (20%) Sensorimotor Syndrome, 33 (10%) Ataxic Hemiparesis, 21 (7%) Pure Sensory Syndrome, and 18 (6%) Dysarthria-Clumsy Hand Syndrome. No Striking Differences Were Found among the Risk Factors for the Lacunar Subtypes, But Differences Were Found between Lacunar Stroke as a Group and Other Types of Infarcts. Compared to 113 Patients with Large-Vessel Atherosclerotic Infarction, Those with Lacunar Stroke Had …

The Effect Of Nitrogen On Pastures And Subsequent Sheep Production., L. Cransberg

Experimental Summaries - Plant Research

Trial 89MT1

Location: Mt Barker Research Station

To measure the effect of autumn/winter application on:

1. Pasture growth rates and composition

2. Sheep production using pregnant/lacting ewes.

Trial 89KA6

Management systems for sheep.

Location: Kojonup

To measure the effects of set stocking and strip (rotation) grazing on:

1. Pasture production, composition and quality.

2. Sheep production (liveweight, condition score, wool growth rate, fibre diameter strength and vegetable matter contamination).

Ab Initio Study Of The Intermolecular Potential Of Ar–H2o, G. Chalasinski, M. M. Szczesniak, Steve Scheiner

Steve Scheiner

The combination of supermolecular Møller–Plesset treatment with the perturbation theory of intermolecular forces is applied in the analysis of the potential‐energy surface of Ar–H₂O. The surface is very isotropic with the lowest barrier for rotation of ∼35 cm⁻¹ above the absolute minimum. The lower bound for D_e is found to be 108 cm⁻¹ and the complex reveals a very floppy structure, with Ar moving freely from the H‐bridged structure to the coplanar and almost perpendicular arrangement of the C₂ –water axis and the Ar–O axis, ‘‘T‐shaped’’ structure. This motion is almost isoenergetic (energy change …

Ab Initio Study Of Intermolecular Potential Of H2o Trimer, G. Chalasinski, M. M. Szczesniak, P. Cieplak, Steve Scheiner

Steve Scheiner

Nonadditive contribution to the interaction energy in water trimer is analyzed in terms of Heitler–London exchange, SCF deformation, induction and dispersion nonadditivities. Nonadditivity originates mainly from the SCF deformation effect which is due to electric polarization. However, polarization does not serve as a universal mechanism for nonadditivity in water. In the double‐donor configuration, for example, the Heitler–London exchange contribution is the most important and polarization yields the wrong sign. Correlation effects do not contribute significantly to the nonadditivity. A detailed analysis of the pair potential is also provided. The present two‐body potential and its components are compared to the existing …

Theoretical Vibrational Study Of Fx...Nh3 (X=H, D, Li) Complexes, Y. Bouteiller, Z. Latajka, H. Ratajczak, Steve Scheiner

Steve Scheiner

This paper presents the first ab initio attempt to construct the stretching fundamentals ν_FX and ν_F...N (X=H, D, Li) in the FX...NH₃ complexes taking into account the mechanical anharmonicity. A potential‐energy surface V(r_FX,R_F...N) grid was generated at the self‐consistent‐field and second‐order Møller–Plesset levels. The coefficients fitting the potential‐energy surface up to the fourth order have been used to compute the ν_FX and ν_F...N stretching modes. The vibrational problem is solved by means of a variational treatment which includes the effects of mechanical …

Effect Of Intermolecular Orientation Upon Proton Transfer Within A Polarizable Medium, Steve Scheiner, X. Duan

Steve Scheiner

Ab initio calculations are used to investigate the proton transfer process in bacteriorhodopsin. HN = CH₂ serves as a small prototype of the Schiff base while HCOO^- models its carboxylate-containing counterion and HO^- the hydroxyl group of water of tyrosine, leading to the HCOO^-.H⁺.NHCH₂ and HO^-.H⁺.NHCH₂ complexes. In isolation, both complexes prefer a neutral pair configuration wherein the central proton is associated with the anion. However, the Schiff base may be protonated in the former complex, producing the HCOO^-.⁺HNHCH₂ ion pair, when …

Dielectric Monitoring Of The Chemical, Rheological, And Morphological Changes Incurred During Cure Of Epoxide-Amine Systems, Dara Elyn Levy

Dissertations, Theses, and Masters Projects

No abstract provided.

The Investigation Of Organoboron Compounds And Organoboron/Nitrone Reactions, David Kent Hood

Dissertations, Theses, and Masters Projects

No abstract provided.

Preparation And Characterization Of (E)-1-Alkenylboranes And(E)-1-Alkenylboronates An Investigation Of Borane/Nitrone Reactions, Philip Louis Smith

Dissertations, Theses, and Masters Projects

No abstract provided.