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Louisiana State University

2000

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Making Classical And Quantum Canonical General Relativity Computable Through A Power Series Expansion In The Inverse Cosmological Constant, Rodolfo Gambini, Jorge Pullin Dec 2000

Making Classical And Quantum Canonical General Relativity Computable Through A Power Series Expansion In The Inverse Cosmological Constant, Rodolfo Gambini, Jorge Pullin

Faculty Publications

Casting ordinary general relativity as a perturbative theory in Λ-1 and starting with background theory in which Λ → ∞ allows one to explicitly compute nondegenerate physical quantum states and observables. The technique is applicable in the theory in general and also in mini-super-space models. In the general theory, the calculations are well defined and tractable, but quite involved. This opens up a program for the quantization of the gravitational field that is well defined computationally and allows contact with the physical observables of the theory, a key ingredient in the road to finding a theory with a semiclassical regime …


Soft-X-Ray Fluorescence Study Of The Quasi-One-Dimensional Heisenberg Antiferromagnet Tetraphenylverdazyl, E. Z. Kurmaev, V. R. Galakhov, S. Shimada, T. Otsuka, K. Endo, S. Stadler, D. L. Ederer, A. Moewes, H. Schuerman, M. Neumann, S. Tomiyoshi, N. Azuma, M. Iwami Dec 2000

Soft-X-Ray Fluorescence Study Of The Quasi-One-Dimensional Heisenberg Antiferromagnet Tetraphenylverdazyl, E. Z. Kurmaev, V. R. Galakhov, S. Shimada, T. Otsuka, K. Endo, S. Stadler, D. L. Ederer, A. Moewes, H. Schuerman, M. Neumann, S. Tomiyoshi, N. Azuma, M. Iwami

Faculty Publications

Soft-x-ray fluorescence measurements have been performed on a single crystal of the organic antiferromagnet 2,4,6-triphenylverdazyl. Resonant and nonresonant C Kα and N Kα (2p → 1s transition) x-ray emission spectra (XES) were measured and compared with x-ray photoelectron valence band spectra and deMon density-functional theory calculations. It is shown that intramolecular interactions are much stronger than intermolecular ones and give the main contribution to the formation of C 2p density of states. We present evidence of a delocalization of unpaired N 2p electrons over the verdazyl ring. The excitation energy dependence of C Kα and N Kα XES observed below …


Carbon Monoxide Production Is Not Enhanced By Nitrogenase Activity, P. Milligan, G. M. King Dec 2000

Carbon Monoxide Production Is Not Enhanced By Nitrogenase Activity, P. Milligan, G. M. King

Faculty Publications

A diverse group of nitrogen-fixing bacteria and two heme degraders were grown with and without fixed nitrogen sources under oxic and suboxic conditions, with and without addition of heme-containing compounds. Several of the strains produced carbon monoxide (CO) under one or more of these conditions, but nitrogenase activity did not stimulate rates of production relative to controls. Although nitrogenase can reduce CO2 to CO in vitro in the absence of N2, this process likely contributes minimally to CO production in soils under in situ conditions. In contrast, myoglobin or hematin addition under oxic conditions significantly stimulated CO production by the …


A Study Of The Relationship Between Eggshell Color And Egg Specific Gravity Of The Eggs Of White Leghorns, Thomas Jerome Orgeron Dec 2000

A Study Of The Relationship Between Eggshell Color And Egg Specific Gravity Of The Eggs Of White Leghorns, Thomas Jerome Orgeron

Honors Theses

No abstract provided.


Hole Distribution In (Sr, Ca, Y, La) 14cu24o41 Ladder Compounds Studied By X-Ray Absorption Spectroscopy, N. Nücker, M. Merz, C. A. Kuntscher, S. Gerhold, S. Schuppler, R. Neudert, M. S. Golden, J. Fink, D. Schild, S. Stadler, V. Chakarian, J. Freeland, Y. U. Idzerda, K. Conder, M. Uehara, T. Nagata, J. Goto, J. Akimitsu, N. Motoyama, H. Eisaki, S. Uchida, U. Ammerahl, A. Revcolevschi Dec 2000

Hole Distribution In (Sr, Ca, Y, La) 14cu24o41 Ladder Compounds Studied By X-Ray Absorption Spectroscopy, N. Nücker, M. Merz, C. A. Kuntscher, S. Gerhold, S. Schuppler, R. Neudert, M. S. Golden, J. Fink, D. Schild, S. Stadler, V. Chakarian, J. Freeland, Y. U. Idzerda, K. Conder, M. Uehara, T. Nagata, J. Goto, J. Akimitsu, N. Motoyama, H. Eisaki, S. Uchida, U. Ammerahl, A. Revcolevschi

Faculty Publications

The unoccupied electronic structure for the Sr14Cu24O41 family of two-leg ladder compounds was investigated for different partial substitutions of Sr2+ by Ca2+, leaving the nominal hole count constant, and by Y3+ or La3+, reducing the nominal hole count from its full value of 6 per formula unit. Using polarization-dependent x-ray absorption spectroscopy on single crystals, hole states on both the chain and ladder sites could be studied. While for intermediate hole counts all holes reside on O sites of the chains, a partial hole occupation on the ladder sites in orbitals oriented along the legs is observed for the fully …


Minimal And Contributing Sequence Determinants Of The Cis-Acting Locus Of Transfer (Clt) Of Streptomycete Plasmid Pij101 Occur Within An Intrinsically Curved Plasmid Region, M. J. Ducote, S. Prakash, G. S. Pettis Dec 2000

Minimal And Contributing Sequence Determinants Of The Cis-Acting Locus Of Transfer (Clt) Of Streptomycete Plasmid Pij101 Occur Within An Intrinsically Curved Plasmid Region, M. J. Ducote, S. Prakash, G. S. Pettis

Faculty Publications

Efficient interbacterial transfer of streptomycete plasmid pIJ101 requires the pIJ101 tra gene, as well as a cis-acting plasmid function known as clt. Here we show that the minimal pIJ101 clt locus consists of a sequence no greater than 54 bp in size that includes essential inverted-repeat and direct-repeat sequences and is located in close proximity to the 3′ end of the korB regulatory gene. Evidence that sequences extending beyond the minimal locus and into the korB open reading frame influence clt transfer function and demonstration that clt-korB sequences are intrinsically curved raise the possibility that higher-order structuring of DNA and …


Land Use Impacts On Atmospheric Carbon Monoxide Consumption By Soils, G. M. King Dec 2000

Land Use Impacts On Atmospheric Carbon Monoxide Consumption By Soils, G. M. King

Faculty Publications

Seasonal analyses of in situ CO fluxes from forested and agricultural soils in Maine and Georgia, and more limited comparisons in Hawai'i indicated that agricultural land use consistently enhanced CO consumption. Soils at an agricultural site in Maine consumed approximately 1.9 g CO m-2 yr-1 while uptake in a nearby mixed forest was about 70% lower, 0.6 g CO m-2 yr-1. A similar trend was observed for sites in Georgia, where annual uptake by agricultural sites was approximately 1.0 g CO m-2 while net emission (about -0.5 g CO m-2) was observed for neighboring pine stands. Net CO fluxes in …


Consumer And Handler Reactions To Potential Country-Of-Origin Labeling Of Fresh Or Frozen Beef (Bulletin #878), Alvin Schupp, Jeffrey Gillespie Dec 2000

Consumer And Handler Reactions To Potential Country-Of-Origin Labeling Of Fresh Or Frozen Beef (Bulletin #878), Alvin Schupp, Jeffrey Gillespie

LSU AgCenter Bulletins

Imported fresh or frozen beef, along with other food products, is identified by country-of-origin as it enters the U.S. in bulk containers. This bulletin includes information and primary objectives on country-of-origin of fresh or frozen beef.


A Spatial Inquiry Of Infant Low Birthweight And Cancer Mortality In East Baton Rouge Parish, Louisiana, Esra Qzdenerol Dec 2000

A Spatial Inquiry Of Infant Low Birthweight And Cancer Mortality In East Baton Rouge Parish, Louisiana, Esra Qzdenerol

LSU Historical Dissertations and Theses

Infant low birthweight rate in East Baton Rouge Parish is higher compared to the nation. Cancer is one of the most serious health problems in Louisiana. A few studies have indicated a relationship between the two health outcomes and their environment, but conclusions from these studies have not always been consistent. The spatial and temporal scales of the data and the methods used in these studies contribute to the inconsistent and uncertain results. The spatial patterns of infant low birthweight and cancer mortality in East Baton Rouge Parish from 1993 to 1996 and their relationships with environmental factors at three …


Engineering Combat: The Battlefield As Showcase For New Technology, William S. Gross Dec 2000

Engineering Combat: The Battlefield As Showcase For New Technology, William S. Gross

Civil War Book Review

In Trial by Fire, Charles Ross presents an interesting book covering the applications of science and technology in the Civil War. Ross addresses the applications of existing technology to support combat forces and the applications of new technology to combat. While the book is not an exhausti....


Annotations, Cwbr_Editor Dec 2000

Annotations, Cwbr_Editor

Civil War Book Review

No abstract provided.


Erratum: Magnetoresistance From Quantum Interference Effects In Ferromagnets (Nature (2000) 404 (581-584)), N. Manyala, Y. Sidis, J. F. Ditusa, G. Aeppli, D. P. Young, Z. Fisk Nov 2000

Erratum: Magnetoresistance From Quantum Interference Effects In Ferromagnets (Nature (2000) 404 (581-584)), N. Manyala, Y. Sidis, J. F. Ditusa, G. Aeppli, D. P. Young, Z. Fisk

Faculty Publications

No abstract provided.


Kinetic Characterization Of His-Tagged Cp47 Photosystem Ii In Synechocystis Sp. Pcc6803, Zhao Liang Li, Terry M. Bricker, Robert Burnap Nov 2000

Kinetic Characterization Of His-Tagged Cp47 Photosystem Ii In Synechocystis Sp. Pcc6803, Zhao Liang Li, Terry M. Bricker, Robert Burnap

Faculty Publications

Recently, construction of strains of Synechocystis sp. PCC6803 having a His6 extension (His-tag) of the carboxyl terminus of the CP47 protein has been reported (T.M. Bricker et al, Biochim. Biophys. Acta 1409 (1998) 50; M.J. Reifler et al., in: Garab, Pusztai (Eds.) Proc. XIth International Congress on Photosynthesis, 1998). While these initial reports suggest a minimal impact of the His-tag upon Photosystem (PS) II function, a more thorough analysis of the kinetic properties of the modified complex is essential. This communication reports on a more detailed kinetic analysis to assess possible perturbations of PS II due to the genetic addition …


Eosinophil Major Basic Protein-1 Does Not Contribute To Allergen-Induced Airway Pathologies In Mouse Models Of Asthma, K. L. Denzler, S. C. Farmer, J. R. Crosby, M. Borchers, G. Cieslewicz, K. A. Larson, S. Cormier-Regard, N. A. Lee, J. J. Lee Nov 2000

Eosinophil Major Basic Protein-1 Does Not Contribute To Allergen-Induced Airway Pathologies In Mouse Models Of Asthma, K. L. Denzler, S. C. Farmer, J. R. Crosby, M. Borchers, G. Cieslewicz, K. A. Larson, S. Cormier-Regard, N. A. Lee, J. J. Lee

Faculty Publications

The relationship between eosinophils and the development of Ag-induced pulmonary pathologies, including airway hyper-responsiveness, was investigated using mice deficient for the secondary granule component, major basic protein-1 (mMBP-1). The loss of mMBP-1 had no effect on OVA-induced airway histopathologies or inflammatory cell recruitment. Lung function measurements of knockout mice demonstrated a generalized hyporeactivity to methacholine-induced airflow changes (relative to wild type); however, this baseline phenotype was observable only with methacholine; no relative airflow changes were observed in response to another nonspecific stimulus (serotonin). Moreover, OVA sensitization/aerosol challenge of wild-type and mMBP-1(-/-) mice resulted in identical dose-response changes to either methacholine …


Internet Regulations And The First Amendment, Shweta Gera Nov 2000

Internet Regulations And The First Amendment, Shweta Gera

Honors Theses

No abstract provided.


Potential Gene Conversion And Source Genes For Recently Integrated Alu Elements, Astrid M. Roy, Marion L. Carroll, Son V. Nguyen, Abdel Halim Salem, Michael Oldridge, Andrew O.M. Wilkie, Mark A. Batzer, Prescott L. Deininger Nov 2000

Potential Gene Conversion And Source Genes For Recently Integrated Alu Elements, Astrid M. Roy, Marion L. Carroll, Son V. Nguyen, Abdel Halim Salem, Michael Oldridge, Andrew O.M. Wilkie, Mark A. Batzer, Prescott L. Deininger

Faculty Publications

Alu elements comprise >10% of the human genome. We have used a computational biology approach to analyze the human genomic DNA sequence databases to determine the impact of gene conversion on the sequence diversity of recently integrated Alu elements and to identify Alu elements that were potentially retroposition competent. We analyzed 269 Alu Ya5 elements and identified 23 members of a new Alu subfamily termed Ya5a2 with an estimated copy number of 35 members, including the de novo Alu insertion in the NFI gene. Our analysis of Alu elements containing one to four (Ya1-Ya4) of the Ya5 subfamily-specific mutations suggests …


Reading Between The Lines: Human Genomic Variation Induced By Line-1 Retrotransposition, Fang Miin Sheen, Stephen T. Sherry, Gregory M. Risch, Myles Robichaux, Ivane Nasidze, Mark Stoneking, Mark A. Batzer, Gary D. Swergold Nov 2000

Reading Between The Lines: Human Genomic Variation Induced By Line-1 Retrotransposition, Fang Miin Sheen, Stephen T. Sherry, Gregory M. Risch, Myles Robichaux, Ivane Nasidze, Mark Stoneking, Mark A. Batzer, Gary D. Swergold

Faculty Publications

The insertion of mobile elements into the genome represents a new class of genetic markers for the study of human evolution. Long interspersed elements (LINEs) have amplified to a copy number of about 100,000 over the last 100 million years of mammalian evolution and comprise ~15% of the human genome. The majority of LINE-1 (L1) elements within the human genome are 5' truncated copies of a few active L1 elements that are capable of retrotransposition. Some of the young L1 elements have inserted into the human genome so recently that populations are polymorphic for the presence of an L1 element …


The Breeding Ecology Of White-Faced Ibis In The Lower Carson River Basin, Nevada, Eric Patrick Kelchlin Oct 2000

The Breeding Ecology Of White-Faced Ibis In The Lower Carson River Basin, Nevada, Eric Patrick Kelchlin

LSU Historical Dissertations and Theses

The Great Basin White-faced Ibis (Plegadis chihi) population is recognized as a Species of Management because of its small population size, limited number of traditional breeding sites, and vulnerability to habitat loss. The ability to predict future population trends and develop wetland management strategies is limited because many aspects of their breeding ecology and population dynamics are unknown. 1 examined White-faced Ibis nesting ecology and breeding habitat selection at the Lower Carson River Basin, Nevada, from 1995-1997, and the relationship between the local surface water conditions and trends in the number of breeding pairs from 1970-1997 on a local and …


F00rs Sgb No. 12 (Seac), Henderson Oct 2000

F00rs Sgb No. 12 (Seac), Henderson

Student Senate Enrolled Legislation

A BILL

To appropriate seven hundred ninety-five dollars ($795) to the LSU Chapter of the Student Environmental Action Coalition (SEAC) to help defray the costs of sending delegates to the U.S. Student Climate Summit of the United Nations Framework Convention on Climate Change (UNFCCC) November 18th-25th at The Hague, Netherlands.


Louisiana Agriculture Fall, 2000, Lsu Agcenter Oct 2000

Louisiana Agriculture Fall, 2000, Lsu Agcenter

Louisiana Agriculture

No abstract provided.


Discovery Of A Novel, Paternally Expressed Ubiquitin-Specific Processing Protease Gene Through Comparative Analysis Of An Imprinted Region Of Mouse Chromosome 7 And Human Chromosome 19q13.4, Joomyeong Kim, Vladimir N. Noskov, Xiaochen Lu, Anne Bergmann, Xiaojia Ren, Tiffany Warth, Paul Richardson, Natalya Kouprina, Lisa Stubbs Sep 2000

Discovery Of A Novel, Paternally Expressed Ubiquitin-Specific Processing Protease Gene Through Comparative Analysis Of An Imprinted Region Of Mouse Chromosome 7 And Human Chromosome 19q13.4, Joomyeong Kim, Vladimir N. Noskov, Xiaochen Lu, Anne Bergmann, Xiaojia Ren, Tiffany Warth, Paul Richardson, Natalya Kouprina, Lisa Stubbs

Faculty Publications

Using mouse BAC clones spanning an imprinted interval of proximal mouse chromosome 7 and the genomic sequence of the related interval of human chromosome 19q13.4, we have identified a novel mouse gene, Usp29 (ubiquitin-specific processing protease 29), near two known imprinted genes, Peg3 and Zim1. Gene Usp29 is located directly adjacent to Peg3 in a ″head-to-head″ orientation, and comprises exons distributed over a genomic distance of at least 400 kb. A similar human gene is also found in the homologous location in human chromosome 19q13.4. The mouse Usp29 gene is also imprinted and is transcribed mainly from the paternal allele …


High Phosphorylation Efficiency And Depression Of Uncoupled Respiration In Mitochondria Under Hypoxia, Erich Gnaiger, Gabriela Méndez, Steven C. Hand Sep 2000

High Phosphorylation Efficiency And Depression Of Uncoupled Respiration In Mitochondria Under Hypoxia, Erich Gnaiger, Gabriela Méndez, Steven C. Hand

Faculty Publications

Mitochondria are confronted with low oxygen levels in the microenvironment within tissues; yet, isolated mitochondria are routinely studied under air-saturated conditions that are effectively hyperoxic, increase oxidative stress, and may impair mitochondrial function. Under hypoxia, on the other hand, respiration and ATP supply are restricted. Under these conditions of oxygen limitation, any compromise in the coupling of oxidative phosphorylation to oxygen consumption could accentuate ATP depletion, leading to metabolic failure. To address this issue, we have developed the approach of oxygen-injection microcalorimetry and ADP-injection respirometry for evaluating mitochondrial function at limiting oxygen supply. Whereas phosphorylation efficiency drops during ADP limitation …


Response Of Atmospheric Methane Consumption By Maine Forest Soils To Exogenous Aluminum Salts, K. Nanba, G. M. King Sep 2000

Response Of Atmospheric Methane Consumption By Maine Forest Soils To Exogenous Aluminum Salts, K. Nanba, G. M. King

Faculty Publications

Atmospheric methane consumption by Maine forest soils was inhibited by additions of environmentally relevant levels of aluminum. Aluminum chloride was more inhibitory than nitrate or sulfate salts, but its effect was comparable to that of a chelated form of aluminum. Inhibition could be explained in part by the lower soil pH values which resulted from aluminum addition. However, significantly greater inhibition by aluminum than by mineral acids at equivalent soil pH values indicated that inhibition also resulted from direct effects of aluminum per se. The extent of inhibition by exogenous aluminum increased with increasing methane concentration for soils incubated in …


On The Excluded Minors For Quaternary Matroids, J. F. Geelen, J. G. Oxley, D. L. Vertigan, G. P. Whittle Sep 2000

On The Excluded Minors For Quaternary Matroids, J. F. Geelen, J. G. Oxley, D. L. Vertigan, G. P. Whittle

Faculty Publications

This paper strengthens the excluded-minor characterization of GF(4)-representable matroids. In particular, it is shown that there are only finitely many 3-connected matroids that are not GF(4)-representable and that have no U2, 6-, U4, 6-, P6-, F-7-, or (F-7)*-minors. Explicitly, these matroids are all minors of S(5, 6, 12) with rank and corank at least 4, and P″8, the matroid that can be obtained from S(5, 6, 12) by deleting two elements, contracting two elements, and then relaxing the only pair of disjoint circuit-hyperplanes. © 2000 Academic Press.


The Impact Of Price And Yield Variability On Southeastern U.S. Catfish Producer Operations (Bulletin #876), Richard F. Kazmierczak Jr., Patricia Soto Sep 2000

The Impact Of Price And Yield Variability On Southeastern U.S. Catfish Producer Operations (Bulletin #876), Richard F. Kazmierczak Jr., Patricia Soto

LSU AgCenter Bulletins

This study empirically assessed the impact of stochastic price and yield variables on catfish producer profits within a risk-evaluation framework.


The Polarization Of Sb Overlayers On Nimnsb(100), Takashi Komesu, C. N. Borca, Hae Kyung Jeong, P. A. Dowben, Delia Ristoiu, J. P. Nozières, Shane Stadler, Y. U. Idzerda Aug 2000

The Polarization Of Sb Overlayers On Nimnsb(100), Takashi Komesu, C. N. Borca, Hae Kyung Jeong, P. A. Dowben, Delia Ristoiu, J. P. Nozières, Shane Stadler, Y. U. Idzerda

Faculty Publications

We have investigated the induced polarization of paramagnetic Sb overlayers on the Heusler alloy NiMnSb. From combined X-ray absorption spectroscopy (XAS) and spin-polarized inverse photoemission spectroscopy (SPIPES), we can assign some of the unoccupied states of the Heusler alloy NiMnSb. With increasing thickness of the Sb overlayer, there is a decline in the density of states near the Fermi energy, as expected for a semimetal overlayer on a metallic substrate. While the Sb is polarized by the ferromagnetic NiMnSb substrate, consistent with the expectations of mean field theory, the polarization at the center of the surface/overlayer Brillouin zone cannot be …


The X-Ray Transient Xte J1118+480: Multiwavelength Observations Of A Low-State Minioutburst, R. I. Hynes, C. W. Mauche, C. A. Haswell, C. R. Shrader, W. Cui, S. Chaty Aug 2000

The X-Ray Transient Xte J1118+480: Multiwavelength Observations Of A Low-State Minioutburst, R. I. Hynes, C. W. Mauche, C. A. Haswell, C. R. Shrader, W. Cui, S. Chaty

Faculty Publications

We present multiwavelength observations of the newly discovered X-ray transient XTE J1118+480 obtained in the rising phase of the 2000 April outburst. This source is located at unusually high Galactic latitude and in a very low absorption line of sight. This made the first Extreme Ultraviolet Explorer (EUVE) spectroscopy of an X-ray transient outburst possible. Together with our Hubble Space Telescope, Rossi X-Ray Timing Explorer, and United Kingdom Infrared Telescope data, this gives unprecedented spectral coverage. We find the source in the low hard state. The flat IR-UV continuum appears to be a combination of optically thick disk emission and …


Mutational Analysis Of The Tra Locus Of The Broad-Host-Range Streptomyces Plasmid Pij101, Gregg S. Pettis, Stanley N. Cohen Aug 2000

Mutational Analysis Of The Tra Locus Of The Broad-Host-Range Streptomyces Plasmid Pij101, Gregg S. Pettis, Stanley N. Cohen

Faculty Publications

The tra gene of Streptomyces lividans plasmid pIJ101 encodes a 621- amino-acid protein that can mediate both plasmid transfer and the interbacterial transfer of chromosomal genes (i.e., chromosome-mobilizing ability [Cma]) during mating. Here we report the results of in-frame insertional mutagenesis studies aimed at defining regions of Tra required for these functions. While hexameric linker insertions throughout the tra gene affected plasmid and chromosomal gene transfer, insertions in a 200-amino- acid region of the Tra protein that contains presumed nucleotide-binding motifs and that is widely conserved among a functionally diverse family of bacterial and plasmid proteins (K. J. Begg, S. …


Synchrotron X-Ray Microtomography, Electron Probe Microanalysis, And Nmr Of Toluene Waste In Cement, Leslie G. Butler, John W. Owens, Frank K. Cartledge, Richard L. Kurtz, Gary R. Byerly, Andrew J. Wales, Pamela L. Bryant, Earl F. Emery, Betsy Dowd, Xiaogang Xie Aug 2000

Synchrotron X-Ray Microtomography, Electron Probe Microanalysis, And Nmr Of Toluene Waste In Cement, Leslie G. Butler, John W. Owens, Frank K. Cartledge, Richard L. Kurtz, Gary R. Byerly, Andrew J. Wales, Pamela L. Bryant, Earl F. Emery, Betsy Dowd, Xiaogang Xie

Faculty Publications

Synchrotron X-ray microtomography shows vesicular structures for toluene/cement mixtures, prepared with 1.22-3.58 wt % toluene. Three-dimensional imaging of the cured samples shows spherical vesicles, with diameters ranging from 20 to 250/μm; a search with EPMA for vesicles in the range of 1-20/μm proved negative. However, the total vesicle volume, as computed from the microtomography images, accounts for less than 10% of initial toluene. Since the cements were cured in sealed bottles, the larger portion of toluene must be dispersed within the cement matrix. Evidence for toluene in the cement matrix comes from 29Si MAS NMR spectroscopy, which shows a reduction …


Theoretical Prediction Of Nuclear Quadrupole Resonance Spectra Of Aluminum, Bromine And Nitrogen Compounds Via First Principles Calculations, Chris Harwell Aug 2000

Theoretical Prediction Of Nuclear Quadrupole Resonance Spectra Of Aluminum, Bromine And Nitrogen Compounds Via First Principles Calculations, Chris Harwell

LSU Historical Dissertations and Theses

We study the interaction of the electric field gradient (EFG) and the nuclear quadrupole moment of 81Br,27Al, and 14N nuclei via ab initio quantum chemistry calculations. The primary goal is to predict the nuclear magnetic resonance (NMR) spectral parameters of interesting materials and assist in interpretation of their spectra. The calculations predict NMR spectral parameters for:

  1. 27Al nuclei in andalusite, sillimanite and kyanite - three polymorphs of Al2Si05 - for assigning NMR signals to crystallographic sites, as a zeolite model and studying the effect of structural changes due to temperature (25-1000''C);
  2. 14N nuclei in …