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Chemistry and Biochemistry Faculty Publications

Articles 301 - 330 of 384

Full-Text Articles in Chemistry

Preparation, Structural Characterization, And Dynamic Properties Investigation Of Permalloy Antidot Arrays, Andriy Vovk, Leszek M. Malkinski, Scott L. Whittenburg, Charles O'Connor, Jin-Seung Jung, Suk-Hong Min May 2005

Preparation, Structural Characterization, And Dynamic Properties Investigation Of Permalloy Antidot Arrays, Andriy Vovk, Leszek M. Malkinski, Scott L. Whittenburg, Charles O'Connor, Jin-Seung Jung, Suk-Hong Min

Chemistry and Biochemistry Faculty Publications

Regular nanosized structures are considered to be promising materials for magnetic information storage media with high density of information. Recently attention was paid to static and dynamic magnetic properties arising from dimensional confinement in such nanostructures. Here we present an investigation of permalloy antidot arrays of different thicknesses. Thin permalloyfilms of thickness ranging from were deposited on nanoporous membranes with a pore size of . It was found that additional ferromagnetic resonance peaks appear for film thicknesses below , while films with larger thicknesses show resonanceproperties similar to continuous films. A comparison between the filmsdeposited onto Si wafers and porous …

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Determination Of The Cyanide Metabolite 2-Aminothiazoline-4-Carboxylic Acid In Urine And Plasma By Gas Chromatography–Mass Spectrometry, Brian A. Logue, Nicholas P. Kirschten, Ilona Petrikovics, Matthew A, Moser, Gary A. Rockwood, Steven I. Baskin May 2005

Determination Of The Cyanide Metabolite 2-Aminothiazoline-4-Carboxylic Acid In Urine And Plasma By Gas Chromatography–Mass Spectrometry, Brian A. Logue, Nicholas P. Kirschten, Ilona Petrikovics, Matthew A, Moser, Gary A. Rockwood, Steven I. Baskin

Chemistry and Biochemistry Faculty Publications

The cyanide metabolite 2-aminothiazoline-4-carboxylic acid (ATCA) is a promising biomarker for cyanide exposure because of its stability and the limitations of direct determination of cyanide and more abundant cyanide metabolites. A simple, sensitive, and specific method based on derivatization and subsequent gas chromatography–mass spectrometry (GC–MS) analysis was developed for the identification and quantification of ATCA in synthetic urine and swine plasma. The urine and plasma samples were spiked with an internal standard (ATCA-d2), diluted, and acidified. The resulting solution was subjected to solid phase extraction on a mixed-mode cation exchange column. After elution and evaporation of the solvent, a silylating …

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Emissions From Miombo Woodland And Dambo Grassland Savanna Fires, Parikhit Sinha, Peter V. Hobbs, Robert J. Yokelson, Donald R. Blake, Song Gao, Thomas W. Kirschsetter Jun 2004

Emissions From Miombo Woodland And Dambo Grassland Savanna Fires, Parikhit Sinha, Peter V. Hobbs, Robert J. Yokelson, Donald R. Blake, Song Gao, Thomas W. Kirschsetter

Chemistry and Biochemistry Faculty Publications

[1] Airborne measurements of trace gases and particles over and downwind of two prescribed savanna fires in Zambia are described. The measurements include profiles through the smoke plumes of condensation nucleus concentrations and normalized excess mixing ratios of particles and gases, emission factors for 42 trace gases and seven particulate species, and vertical profiles of ambient conditions. The fires were ignited in plots of miombo woodland savanna, the most prevalent savanna type in southern Africa, and dambo grassland savanna, an important enclave of miombo woodland ecosystems. Emission factors for the two fires are combined with measurements of fuel loading, combustion …

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Thickness Dependence Of Magneto-Transport In Cu-Co Granular Thin Films, Jian Qing Wang, Ngocnga Dao, Ham H. Kim, Scott L. Whittenburg Jun 2004

Thickness Dependence Of Magneto-Transport In Cu-Co Granular Thin Films, Jian Qing Wang, Ngocnga Dao, Ham H. Kim, Scott L. Whittenburg

Chemistry and Biochemistry Faculty Publications

This work explores the thickness dependence of magneto-transport properties in granular thin films with different thickness. These results are compared with silver-based film series studied earlier. It was observed that the thickness dependence of the GMReffect was sensitive to the surface chemistry of the films. The extraordinary Hall effect (EHE) in these films was measured and found to be different from the Ag-based system. In the Cu-based system, the EHE is a weak function of film thickness over the range studied. When the variation of the spontaneous magnetization is taken into account the effective EHE has a universal thickness dependence

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Heterogeneous Chemistry Involving Methanol In Tropospheric Clouds, A. Tabazadeh, Robert J. Yokelson, H. B. Singh, Peter V. Hobbs, J. H. Crawford, L. T. Iraci Mar 2004

Heterogeneous Chemistry Involving Methanol In Tropospheric Clouds, A. Tabazadeh, Robert J. Yokelson, H. B. Singh, Peter V. Hobbs, J. H. Crawford, L. T. Iraci

Chemistry and Biochemistry Faculty Publications

In this report we analyze airborne measurements to suggest that methanol in biomass burning smoke is lost heterogeneously in clouds. When a smoke plume intersected a cumulus cloud during the SAFARI 2000 field project, the observed methanol gas phase concentration rapidly declined. Current understanding of gas and aqueous phase chemistry cannot explain the loss of methanol documented by these measurements. Two plausible heterogeneous reactions are proposed to explain the observed simultaneous loss and production of methanol and formaldehyde, respectively. If the rapid heterogeneous processing of methanol, seen in a cloud impacted by smoke, occurs in more pristine clouds, it could …

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Comprehensive Laboratory Measurements Of Biomass-Burning Emissions: 2. First Intercomparison Of Open-Path Ftir, Ptr-Ms, And Gc-Ms/Fid/Ecd, Ted J. Christian, B. Kleiss, Robert J. Yokelson, R. Holzinger, P. J. Crutzen, Wein Min Hao, T. Shirai, Donald R. Blake Jan 2004

Comprehensive Laboratory Measurements Of Biomass-Burning Emissions: 2. First Intercomparison Of Open-Path Ftir, Ptr-Ms, And Gc-Ms/Fid/Ecd, Ted J. Christian, B. Kleiss, Robert J. Yokelson, R. Holzinger, P. J. Crutzen, Wein Min Hao, T. Shirai, Donald R. Blake

Chemistry and Biochemistry Faculty Publications

No abstract provided.

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Seasonal Variation And Ecosystem Dependence Of Emission Factors For Selected Trace Gases And Pm2.5 For Southern African Savanna Fires, S. Korontzi, Darold E. Ward, Ronald A. Susott, Robert J. Yokelson, C. O. Justice, Peter V. Hobbs, E.A. H. Smithwick, Wei Min Hao Dec 2003

Seasonal Variation And Ecosystem Dependence Of Emission Factors For Selected Trace Gases And Pm2.5 For Southern African Savanna Fires, S. Korontzi, Darold E. Ward, Ronald A. Susott, Robert J. Yokelson, C. O. Justice, Peter V. Hobbs, E.A. H. Smithwick, Wei Min Hao

Chemistry and Biochemistry Faculty Publications

[1] In this paper we present the first early dry season (early June-early August) emission factor measurements for carbon dioxide (CO2), carbon monoxide (CO), methane (CH4), nonmethane hydrocarbons (NMHC), and particulates with a diameter less than 2.5 μm (PM2.5) for southern African grassland and woodland fires. Seasonal emission factors for grassland fires correlate linearly with the proportion of green grass, used as a surrogate for the fuel moisture content, and are higher for products of incomplete combustion in the early part of the dry season compared with later in the dry season. Models of …

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Comprehensive Laboratory Measurements Of Biomass-Burning Emissions: 1. Emissions From Indonesian, African, And Other Fuels, Ted J. Christian, B. Kleiss, Robert J. Yokelson, R. Holzinger, P. J. Crutzen, Wei Min Hao, B. H. Saharjo, Darold E. Ward Dec 2003

Comprehensive Laboratory Measurements Of Biomass-Burning Emissions: 1. Emissions From Indonesian, African, And Other Fuels, Ted J. Christian, B. Kleiss, Robert J. Yokelson, R. Holzinger, P. J. Crutzen, Wei Min Hao, B. H. Saharjo, Darold E. Ward

Chemistry and Biochemistry Faculty Publications

[1] Trace gas and particle emissions were measured from 47 laboratory fires burning 16 regionally to globally significant fuel types. Instrumentation included the following: open-path Fourier transform infrared spectroscopy; proton transfer reaction mass spectrometry; filter sampling with subsequent analysis of particles with diameter <2.5 μm for organic and elemental carbon and other elements; and canister sampling with subsequent analysis by gas chromatography (GC)/flame ionization detector, GC/electron capture detector, and GC/mass spectrometry. The emissions of 26 compounds are reported by fuel type. The results include the first detailed measurements of the emissions from Indonesian fuels. Carbon dioxide, CO, CH4, NH3, HCN, methanol, and acetic acid were the seven most abundant emissions (in order) from burning Indonesian peat. Acetol (hydroxyacetone) was a major, previously unobserved emission from burning rice straw (21–34 g/kg). The emission factors for our simulated African fires are consistent with field data for African fires for compounds measured in both …

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Evaluation Of Adsorption Effects On Measurements Of Ammonia, Acetic Acid, And Methanol, Robert J. Yokelson, Ted J. Christian, Isaac T. Bertschi, Wei M. Hao Oct 2003

Evaluation Of Adsorption Effects On Measurements Of Ammonia, Acetic Acid, And Methanol, Robert J. Yokelson, Ted J. Christian, Isaac T. Bertschi, Wei M. Hao

Chemistry and Biochemistry Faculty Publications

[1] We examined how adsorption and desorption of gases from inlets and a cell could affect the accuracy of closed-cell FTIR measurements of carbon dioxide (CO2), carbon monoxide (CO), methane (CH4), nitric oxide (NO), nitrogen dioxide (NO2), methanol (CH3OH), acetic acid (CH3COOH), and ammonia (NH3). When standards were delivered to the cell through a stainless steel inlet, temporarily reduced transmission was observed for CH3OH and NH3. However, a halocarbon wax coated inlet (normally used on the system) had excellent transmission (comparable to room temperature …

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Magnetic Storage Device Using Induced Magnetic Reversal Of A Cobalt Element Array, Hanning Chen, Scott L. Whittenburg Oct 2003

Magnetic Storage Device Using Induced Magnetic Reversal Of A Cobalt Element Array, Hanning Chen, Scott L. Whittenburg

Chemistry and Biochemistry Faculty Publications

The effects of the applied field, cell size, and cutting area on the ‘‘seed’’ induced magnetic reversal of a cobalt element array have been studied by a stochastic dynamic micromagnetics code using the Laudau–Lifshitz–Gilbert equation. Three magnetic reversal mechanisms under different magnitudes of the applied field have been investigated by examining the energy profiles. To minimize the effect of the thermal fluctuations on the switching time, an applied field with magnitude around 0.7 or 0.8 T and an element array with cutting area less than 10 nm X 10 nm are required. By using the smaller cellsize, the switching time …

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Distributions Of Trace Gases And Aerosols During The Dry Biomass Burning Season In Southern Africa, Parikhit Sinha, Peter V. Hobbs, Robert J. Yokelson, Donald R. Blake, Song Gao, Thomas W. Kirschsetter Sep 2003

Distributions Of Trace Gases And Aerosols During The Dry Biomass Burning Season In Southern Africa, Parikhit Sinha, Peter V. Hobbs, Robert J. Yokelson, Donald R. Blake, Song Gao, Thomas W. Kirschsetter

Chemistry and Biochemistry Faculty Publications

[1] Vertical profiles in the lower troposphere of temperature, relative humidity, sulfur dioxide (SO2), ozone (O3), condensation nuclei (CN), and carbon monoxide (CO), and horizontal distributions of twenty gaseous and particulate species, are presented for five regions of southern Africa during the dry biomass burning season of 2000. The regions are the semiarid savannas of northeast South Africa and northern Botswana, the savanna-forest mosaic of coastal Mozambique, the humid savanna of southern Zambia, and the desert of western Namibia. The highest average concentrations of carbon dioxide (CO2), CO, methane (CH4), O3 …

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Trace Gas Measurements In Nascent, Aged, And Cloud-Processed Smoke From African Savanna Fires By Airborne Fourier Transform Infrared Spectroscopy (Aftir), Robert J. Yokelson, Issac T. Bertschi, Ted J. Christian, Peter V. Hobbs, Darold E. Ward, Wei Min Hao Jul 2003

Trace Gas Measurements In Nascent, Aged, And Cloud-Processed Smoke From African Savanna Fires By Airborne Fourier Transform Infrared Spectroscopy (Aftir), Robert J. Yokelson, Issac T. Bertschi, Ted J. Christian, Peter V. Hobbs, Darold E. Ward, Wei Min Hao

Chemistry and Biochemistry Faculty Publications

[1] We measured stable and reactive trace gases with an airborne Fourier transform infrared spectrometer (AFTIR) on the University of Washington Convair-580 research aircraft in August/September 2000 during the SAFARI 2000 dry season campaign in Southern Africa. The measurements included vertical profiles of CO2, CO, H2O, and CH4 up to 5.5 km on six occasions above instrumented ground sites and below the TERRA satellite and ER-2 high-flying research aircraft. We also measured the trace gas emissions from 10 African savanna fires. Five of these fires featured extensive ground-based fuel characterization, and two were in the …

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Thickness Dependence Of Magnetic Blocking In Granular Thin Films With Interacting Magnetic Particles, Jian Qing Wang, Zhi Dong Zhao, Scott L. Whittenburg Jun 2003

Thickness Dependence Of Magnetic Blocking In Granular Thin Films With Interacting Magnetic Particles, Jian Qing Wang, Zhi Dong Zhao, Scott L. Whittenburg

Chemistry and Biochemistry Faculty Publications

Interparticle interaction among single domain nanosize magnetic particles embedded in nonmagnetic matrix was studied. Attention was paid to concentrated Cu–Co granular thin films with a fixed magnetic volume fraction (20%). By analyzing theoretical models and comparing with experimental results, a dimensional constraint on the magnetic properties was found. As the film thickness reduces toward the thin limit the interparticle interaction plays important roles in modifying the magnetic behavior. The dipolar interaction energy was calculated among magnetic particles including far-neighbor interaction for films with different thickness values. When magnetization variation is included in the calculation, the resulting calculated interaction energy versus …

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Tropospheric Carbon Monoxide Measurements From The Scanning High-Resolution Interferometer Sounder On 7 September 2000 In Southern Africa During Safari 2000, W. W. Mcmillan, M. L. Mccourt, H. E. Revercomb, R. O. Knuteson, Ted J. Christian, B. G. Doddridge, Peter V. Hobbs, J. V. Lukovich, P. C. Novelli, S. J. Piketh, L. Sparling, D. Stein, R. J. Swap, Robert J. Yokelson Apr 2003

Tropospheric Carbon Monoxide Measurements From The Scanning High-Resolution Interferometer Sounder On 7 September 2000 In Southern Africa During Safari 2000, W. W. Mcmillan, M. L. Mccourt, H. E. Revercomb, R. O. Knuteson, Ted J. Christian, B. G. Doddridge, Peter V. Hobbs, J. V. Lukovich, P. C. Novelli, S. J. Piketh, L. Sparling, D. Stein, R. J. Swap, Robert J. Yokelson

Chemistry and Biochemistry Faculty Publications

[1] Retrieved tropospheric carbon monoxide (CO) column densities are presented for more than 9000 spectra obtained by the University of Wisconsin-Madison (UWis) Scanning High-Resolution Interferometer Sounder (SHIS) during a flight on the NASA ER-2 on 7 September 2000 as part of the Southern African Regional Science Initiative (SAFARI 2000) dry season field campaign. Enhancements in tropospheric column CO were detected in the vicinity of a controlled biomass burn in the Timbavati Game Reserve in northeastern South Africa and over the edge of the river of smoke in south central Mozambique. Relatively clean air was observed over the far southern coast …

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Emissions Of Trace Gases And Particles From Savanna Fires In Southern Africa, Parikhit Sinha, Peter V. Hobbs, Robert J. Yokelson, I. T. Bertschi, Donald R. Blake, Isobel J. Simpson, Song Gao, Thomas W. Kirschsetter, Tica Novakov Mar 2003

Emissions Of Trace Gases And Particles From Savanna Fires In Southern Africa, Parikhit Sinha, Peter V. Hobbs, Robert J. Yokelson, I. T. Bertschi, Donald R. Blake, Isobel J. Simpson, Song Gao, Thomas W. Kirschsetter, Tica Novakov

Chemistry and Biochemistry Faculty Publications

[1] Airborne measurements made on initial smoke from 10 savanna fires in southern Africa provide quantitative data on emissions of 50 gaseous and particulate species, including carbon dioxide, carbon monoxide, sulfur dioxide, nitrogen oxides, methane, ammonia, dimethyl sulfide, nonmethane organic compounds, halocarbons, gaseous organic acids, aerosol ionic components, carbonaceous aerosols, and condensation nuclei (CN). Measurements of several of the gaseous species by gas chromatography and Fourier transform infrared spectroscopy are compared. Emission ratios and emission factors are given for eight species that have not been reported previously for biomass burning of savanna in southern Africa (namely, dimethyl sulfide, methyl nitrate, …

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Evolution Of Gases And Particles From A Savanna Fire In South Africa, Peter V. Hobbs, Parikhit Sinha, Robert J. Yokelson, Ted J. Christian, Donald R. Blake, Song Gao, Thomas W. Kirschsetter, Tica Novakov, Peter Pilewskie Mar 2003

Evolution Of Gases And Particles From A Savanna Fire In South Africa, Peter V. Hobbs, Parikhit Sinha, Robert J. Yokelson, Ted J. Christian, Donald R. Blake, Song Gao, Thomas W. Kirschsetter, Tica Novakov, Peter Pilewskie

Chemistry and Biochemistry Faculty Publications

[1] Airborne measurements of particles and gases from a 1000-ha savanna fire in South Africa are presented. These measurements represent the most extensive data set reported on the aging of biomass smoke. The measurements include total concentrations of particles (CN), particle sizes, particulate organic carbon and black carbon, light-scattering coefficients, downwelling UV fluxes, and mixing ratios for 42 trace gases and 7 particulate species. The ratios of excess nitrate, ozone, and gaseous acetic acid to excess CO increased significantly as the smoke aged over ∼40–45 min, indicating that these species were formed by photochemistry in the plume. For 17 other …

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Trace Gas And Particle Emissions From Fires In Large Diameter And Belowground Biomass Fuels, Isaac T. Bertschi, Robert J. Yokelson, Darold E. Ward, R. E. Babbitt, Ronald A. Susott, Jon G. Goode, Wei Min Hao Feb 2003

Trace Gas And Particle Emissions From Fires In Large Diameter And Belowground Biomass Fuels, Isaac T. Bertschi, Robert J. Yokelson, Darold E. Ward, R. E. Babbitt, Ronald A. Susott, Jon G. Goode, Wei Min Hao

Chemistry and Biochemistry Faculty Publications

[1] We adopt a working definition of residual smoldering combustion (RSC) as biomass combustion that produces emissions that are not lofted by strong fire-induced convection. RSC emissions can be produced for up to several weeks after the passage of a flame front and they are mostly unaffected by flames. Fuels prone to RSC include downed logs, duff, and organic soils. Limited observations in the tropics and the boreal forest suggest that RSC is a globally significant source of emissions to the troposphere. This source was previously uncharacterized. We measured the first emission factors (EF) for RSC in a series of …

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Trace Gas Emissions From The Production And Use Of Domestic Biofuels In Zambia Measured By Open-Path Fourier Transform Infrared Spectroscopy, Isaac T. Bertschi, Robert J. Yokelson, Darold E. Ward, Ted J. Christian, Wei Min Hao Feb 2003

Trace Gas Emissions From The Production And Use Of Domestic Biofuels In Zambia Measured By Open-Path Fourier Transform Infrared Spectroscopy, Isaac T. Bertschi, Robert J. Yokelson, Darold E. Ward, Ted J. Christian, Wei Min Hao

Chemistry and Biochemistry Faculty Publications

[1] Domestic biomass fuels (biofuels) were recently estimated to be the second largest source of carbon emissions from global biomass burning. Wood and charcoal provide approximately 90% and 10% of domestic energy in tropical Africa. In September 2000, we used open-path Fourier transform infrared (OP-FTIR) spectroscopy to quantify 18 of the most abundant trace gases emitted by wood and charcoal cooking fires and an earthen charcoal-making kiln in Zambia. These are the first in situ measurements of an extensive suite of trace gases emitted by tropical biofuel burning. We report emission ratios (ER) and emission factors (EF) for (in order …

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Fluorescence Determination Of Tryptophan Side-Chain Accessibility And Dynamics In Triple-Helical Collagen-Like Peptides, K. V. Simon-Lukasik, A. V. Persikov, B. Brodsky, J. A. M. Ramshaw, William Laws, J. B. A. Ross, R. D. Ludescher Jan 2003

Fluorescence Determination Of Tryptophan Side-Chain Accessibility And Dynamics In Triple-Helical Collagen-Like Peptides, K. V. Simon-Lukasik, A. V. Persikov, B. Brodsky, J. A. M. Ramshaw, William Laws, J. B. A. Ross, R. D. Ludescher

Chemistry and Biochemistry Faculty Publications

We report tryptophan fluorescence measurements of emission intensity, iodide quenching, and anisotropy that describe the environment and dynamics at X and Y sites in stable collagen-like peptides of sequence (Gly-X-Y)(n). About 90% of tryptophans at both sites have similar solvent exposed fluorescence properties and a lifetime of 8.5-9 ns. Analysis of anisotropy decays using an associative model indicates that these long lifetime populations undergo rapid depolarizing motion with a 0.5 ns correlation time; however, the extent of fast motion at the Y site is considerably less than the essentially unrestricted motion at the X site. About 10% of tryptophans at …

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Constrained Analysis Of Fluorescence Anisotropy Decay: Application To Experimental Protein Dynamics, E. Feinstein, G. Deikus, E. Rusinova, E. L. Rachofsky, J. B. A. Ross, William Laws Jan 2003

Constrained Analysis Of Fluorescence Anisotropy Decay: Application To Experimental Protein Dynamics, E. Feinstein, G. Deikus, E. Rusinova, E. L. Rachofsky, J. B. A. Ross, William Laws

Chemistry and Biochemistry Faculty Publications

Hydrodynamic properties as well as structural dynamics of proteins can be investigated by the well-established experimental method of fluorescence anisotropy decay. Successful use of this method depends on determination of the correct kinetic model, the extent of cross-correlation between parameters in the fitting function, and differences between the timescales; of the depolarizing motions and the fluorophore's fluorescence lifetime. We have tested the utility of an independently measured steady-state anisotropy value as a constraint during data analysis to reduce parameter cross correlation and to increase the timescales over which anisotropy decay parameters can be recovered accurately for two calcium-binding proteins. Mutant …

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Comparison Between Hydrogen And Dihydrogen Bonds Among H3bnh3, H2bnh2, And Nh3, T. Kar, Steve Scheiner Jan 2003

Comparison Between Hydrogen And Dihydrogen Bonds Among H3bnh3, H2bnh2, And Nh3, T. Kar, Steve Scheiner

Chemistry and Biochemistry Faculty Publications

Several possible binary complexes among ammonia-borane, aminoborane, and ammonia, via hydrogen and/or dihydrogen bonds, have been investigated to understand the effect of different hybridization. Møller–Plesset second-order perturbation theory with aug-cc-pVDZ basis set was used. The interaction energy is corrected for basis set superposition error, and the Morokuma–Kitaura method was employed to decompose the total interaction energy. Like H3BNH3, the sp2 hybridized H2BNH2 also participates in H- and dihydrogen bond formation. However, such bonds are weaker than their sp3 analogs. The contractions of BN bonds are associated with blueshift in …

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Calcium Binding To Calmodulin Mutants Monitored By Domain-Specific Intrinsic Phenylalanine And Tyrosine Fluorescence, W. S. Vanscyoc, B. R. Sorensen, E. Rusinova, William Laws, J. B. A. Ross, M. A. Shea Nov 2002

Calcium Binding To Calmodulin Mutants Monitored By Domain-Specific Intrinsic Phenylalanine And Tyrosine Fluorescence, W. S. Vanscyoc, B. R. Sorensen, E. Rusinova, William Laws, J. B. A. Ross, M. A. Shea

Chemistry and Biochemistry Faculty Publications

Cooperative calcium binding to the two homologous domains of calmodulin (CaM) induces conformational changes that regulate its association with and activation of numerous cellular target proteins. Calcium binding to the pair of high-affinity sites (III and IV in the C-domain) can be monitored by observing calcium-dependent changes in intrinsic tyrosine fluorescence intensity (lambda(ex)/lambda(em) of 277/320 nm). However, calcium binding to the low-affinity sites (I and II in the N-domain) is more difficult to measure with optical spectroscopy because that domain of CaM does not contain tryptophan or tyrosine. We recently demonstrated that calcium-dependent changes in intrinsic phenylalanine fluorescence (lambdaex/lambdaem of …

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Guanine And 7,8-Dihydro-8-Oxo-Guanine-Specific Oxidation In Dna By Chromium(V), Kent D. Sugden, Brooke Martin Oct 2002

Guanine And 7,8-Dihydro-8-Oxo-Guanine-Specific Oxidation In Dna By Chromium(V), Kent D. Sugden, Brooke Martin

Chemistry and Biochemistry Faculty Publications

The hexavalent oxidation state of chromium [Cr(VI)] is a well-established human carcinogen, although the mechanism of cancer induction is currently unknown. Intracellular reduction of Cr(VI) forms Cr(V), which is thought to play a fundamental role in the mechanism of DNA damage by this carcinogen. Two separate pathways of DNA damage, an oxidative pathway and a metal-binding pathway, have been proposed to account for the lesions observed in cell systems. We have used a model Cr(V) complex, N,N´-ethylenebis(salicylidene-animato)oxochromium(V) [Cr(V)-Salen], to investigate the oxidative pathway of DNA damage and to elucidate the lesions generated from this oxidation process. Reaction of Cr(V)-Salen with …

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Monte Carlo Simulation On The Indirect Exchange Interactions Of Co-Doped Zno Film, Abraham F. Jalbout, Hanning Chen, Scott L. Whittenburg Sep 2002

Monte Carlo Simulation On The Indirect Exchange Interactions Of Co-Doped Zno Film, Abraham F. Jalbout, Hanning Chen, Scott L. Whittenburg

Chemistry and Biochemistry Faculty Publications

Monte Carlo simulations using a three-dimensional lattice model studied the Ruderman–Kittel–Kasuya–Yosida (RKKY) indirect exchange interaction of doped magnetic Co ions in ZnOfilms. The results of the calculations show that the RKKY interaction in Co-doped ZnO is long ranged and its magnitude is proportional to (inverse of the distance from a central ion). The sign oscillates with a frequency that depends on the concentration of the carrier. The long-distance sum of the RKKY indirect exchange energies is positive indicating that these materials are ferromagnetic, in direct correlation with previously reported results.

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Magnetization Reversal Of Elliptical Co/Cu/Co Pseudo-Spin Valve Dots, Ngocnga Dao, Scott L. Whittenburg, Y. Hao, Leszek M. Malkinski, Jian Qing Wang, C. A. Ross May 2002

Magnetization Reversal Of Elliptical Co/Cu/Co Pseudo-Spin Valve Dots, Ngocnga Dao, Scott L. Whittenburg, Y. Hao, Leszek M. Malkinski, Jian Qing Wang, C. A. Ross

Chemistry and Biochemistry Faculty Publications

We present our recent simulated results on Cr (5 nm)/ Cu (5 nm)/ Co (5 nm)/ Cu (3 nm)/ Co (2 nm) pseudo-spin valve dots. The simulated results agree qualitatively with the experimental results. Three different sizes of elliptical dots, and were simulated. Our simulations show that in these types of dots magnetization reversal occurs by the formation of domain walls: for and for No domain wall was observed in the reversal of the dots. For such dots, the simulated loops show a small two-step reversal pattern with the thin upper layer partially reversing followed by complete reversal of both …

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The Southern African Regional Science Initiative (Safari 2000): Overview Of The Dry Season Field Campaign, R. J. Swap, H. J. Annegarn, J. T. Suttles, J. Haywood, M. C. Helmlinger, C. Hely, Peter V. Hobbs, B. N. Holben, J. Ji, M. D. King, T. Landmann, W. Maenhaut, L. Otter, B. Pak, S. J. Piketh, S. Platnick, J. Privette, D. Roy, A. M. Thompson, Darold E. Ward, Robert J. Yokelson Apr 2002

The Southern African Regional Science Initiative (Safari 2000): Overview Of The Dry Season Field Campaign, R. J. Swap, H. J. Annegarn, J. T. Suttles, J. Haywood, M. C. Helmlinger, C. Hely, Peter V. Hobbs, B. N. Holben, J. Ji, M. D. King, T. Landmann, W. Maenhaut, L. Otter, B. Pak, S. J. Piketh, S. Platnick, J. Privette, D. Roy, A. M. Thompson, Darold E. Ward, Robert J. Yokelson

Chemistry and Biochemistry Faculty Publications

The Southern African Regional Science Initiative (SAFARI 2000) is an international science project investigating the earth-atmosphere-human system in southern Africa. The programme was conducted over a two-year period from March 1999 to March 2001. The dry season field campaign (August-September 2000) was the most intensive activity and involved over 200 scientists from eighteen countries. The main objectives were to characterize and quantify biogenic, pyrogenic and anthropogenic aerosol and trace gas emissions and their transport and transformations in the atmosphere, and to validate NASA's Earth Observing System's satellite Terra within a scientific context. Five aircraft - two South African Weather Service …

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Electronic Structure And Bonding In Unligated And Ligated Feii Porphyrins, M.-S. Liao, Steve Scheiner Jan 2002

Electronic Structure And Bonding In Unligated And Ligated Feii Porphyrins, M.-S. Liao, Steve Scheiner

Chemistry and Biochemistry Faculty Publications

The electronic structure and bonding in a series of unligated and ligated FeII porphyrins (FeP) are investigated by density functional theory (DFT). All the unligated four-coordinate iron porphyrins have a 3A2g ground state that arises from the (dxy)2(dz2)2(dπ)2 configuration. The calculations confirm experimental results on Fe tetraphenylporphine but do not support the resonance Raman assignment of Fe octaethylporphine as 3Eg, nor the early assignment of Fe octamethyltetrabenzporphine as 5B2g. For the six-coordinate Fe–P( …

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Electronic Structure And Bonding In Metal Porphyrins, Metal=Fe, Co, Ni, Cu, Zn, M.-S. Liao, Steve Scheiner Jan 2002

Electronic Structure And Bonding In Metal Porphyrins, Metal=Fe, Co, Ni, Cu, Zn, M.-S. Liao, Steve Scheiner

Chemistry and Biochemistry Faculty Publications

A systematic theoretical study of the electronic structure and bonding in metal meso-tetraphenyl porphines MTPP, M=Fe, Co, Ni, Cu, Zn has been carried out using a density functional theory method. The calculations provide a clear elucidation of the ground states for the MTPPs and for a series of [MTPP]x ions (x = 2+, 1+, 1−, 2−, 3−, 4−), which aids in understanding a number of observed electronic properties. The calculation supports the experimental assignment of unligated FeTPP as 3A2g, which arises from the configuration (dxy)2(dz …

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Micromagnetics Simulation Of Deep-Submicron Supermalloy Disks, Scott L. Whittenburg, Ngocnga Dao, R. P. Cowburn Nov 2001

Micromagnetics Simulation Of Deep-Submicron Supermalloy Disks, Scott L. Whittenburg, Ngocnga Dao, R. P. Cowburn

Chemistry and Biochemistry Faculty Publications

The results of recent micromagnetic simulations of deep submicron supermalloy disks are presented. A recent experimental measurement of the hysteresis and magnetic domain structure in supermalloy disks with diameters ranging from 55 to 500 nm and thickness ranging from 6 to 15 nm has been reported. Our micromagnetic simulations show remarkable agreement with the experimental hysteresis loops. The simulation results show that for thin or small diameter disks a single magnetic domain exists with all spins aligned. The hysteresis loop represents free rotation of these spins. For larger diameter disks or as the thickness increases the hysteresis loops change shape …

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Variational Transition State Theory Evaluation Of The Rate Constant For Proton Transfer In A Polar Solvent, Robin P. Mcrae, Gregory K. Schenter, Bruce C. Garrett, Zoran Svetlicic, Donald G. Truhlar Nov 2001

Variational Transition State Theory Evaluation Of The Rate Constant For Proton Transfer In A Polar Solvent, Robin P. Mcrae, Gregory K. Schenter, Bruce C. Garrett, Zoran Svetlicic, Donald G. Truhlar

Chemistry and Biochemistry Faculty Publications

Variational transition state theory (VTST) is used to calculate rate constants for a model proton transfer reaction in a polar solvent. We start from an explicit description of the reacting solute in a solvent, and we model the effects of solvation on the reaction dynamics by a generalized Langevin equation (GLE) for the solute. In this description, the effects of solvation on the reaction energetics are included in the potential of mean force, and dynamical, or nonequilibrium, solvation is included by solvent friction. The GLE solvation dynamics are approximated by a collection of harmonic oscillators that are linearly coupled to …

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