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Articles 1 - 16 of 16
Full-Text Articles in Physical Sciences and Mathematics
Analysis Of Globule Types In Malignant Melanoma, Jin Xu, Kapil Kumar Gupta, William V. Stoecker, Yamini Krishnamurthy, Harold S. Rabinovitz, Austin Bangert, David A. Calcara, Margaret C. Oliviero, Joseph M. Malters, Rhett J. Drugge, R. Joe Stanley, Randy Hays Moss, Mehmed Emre Celebi
Analysis Of Globule Types In Malignant Melanoma, Jin Xu, Kapil Kumar Gupta, William V. Stoecker, Yamini Krishnamurthy, Harold S. Rabinovitz, Austin Bangert, David A. Calcara, Margaret C. Oliviero, Joseph M. Malters, Rhett J. Drugge, R. Joe Stanley, Randy Hays Moss, Mehmed Emre Celebi
Chemistry Faculty Research & Creative Works
Objective: To identify and analyze subtypes of globules based on size, shape, network connectedness, pigmentation, and distribution to determine which globule types and globule distributions are most frequently associated with a diagnosis of malignant melanoma. Design: Retrospective case series of dermoscopy images with globules. Setting: Private dermatology practices. Participants: Patients in dermatology practices. Intervention: Observation only. Main Outcome Measure: Association of globule types with malignant melanoma. Results: The presence of large globules (odds ratio [OR], 5.25) and globules varying in size (4.72) or shape (5.37) had the highest ORs for malignant melanoma among all globule types and combinations studied. Classical …
Combined Mössbauer Spectral And Density Functional Theory Determination Of The Magnetic Easy-Axis In Two High-Spin Iron(Ii) 2-Pyrazinecarboxylate Complexes, Gary J. Long, Stefania Tanase, Françoise Remacle, Ganga Periyasamy, Fernande Grandjean
Combined Mössbauer Spectral And Density Functional Theory Determination Of The Magnetic Easy-Axis In Two High-Spin Iron(Ii) 2-Pyrazinecarboxylate Complexes, Gary J. Long, Stefania Tanase, Françoise Remacle, Ganga Periyasamy, Fernande Grandjean
Chemistry Faculty Research & Creative Works
A combination of density functional theory (DFT) calculations and Mössbauer spectroscopy has been used to determine that the magnetic easy-axis is coincident with its crystallography c-axis in [Fe(pca) 2(py)2] · py, where pac is the 2- pyrazinecarboxylate ligand. This easy-axis bisects the approximately axial O-Fe-O coordination axes of molecules adjacent to each other along the c-axis. in {[Fe(pca)2(H2O)]-H2O) n the easy magnetic axis is not coincident with any of its crystallographic axes nor with the Fe-O(water) coordination axis, but is coincident with one of the Fe ... Fe axes in the crystal structure. the DFT calculations, …
Rapid Responders To Frovatriptan In Acute Migraine Treatment: Results From A Long-Term, Open-Label Study, Egilius L.H. Spierings, Egilius L.H. Spierings, Charlotte Keywood, Jeffrey Baggish, Harvey J. Blumenthal, Roger K. Cady, David H. Cook, Seymour Diamond, Keith R. Edwards, David L. Friedgood, Ronald C. Gove, Daniel B. Hier, Robert G. Kaniecki, David Kudrow
Rapid Responders To Frovatriptan In Acute Migraine Treatment: Results From A Long-Term, Open-Label Study, Egilius L.H. Spierings, Egilius L.H. Spierings, Charlotte Keywood, Jeffrey Baggish, Harvey J. Blumenthal, Roger K. Cady, David H. Cook, Seymour Diamond, Keith R. Edwards, David L. Friedgood, Ronald C. Gove, Daniel B. Hier, Robert G. Kaniecki, David Kudrow
Chemistry Faculty Research & Creative Works
Background. the Chronic Nature of Migraine and the Reliance on Acute Treatment Constitute the Basis of the Present Long-Term, Open-Label Study. Objectives. First, Assessment of the Tolerability and Safety of Frovatriptan, 2.5-7.5 Mg Taken Orally over 24 Hours, for the Acute Treatment of Migraine, Repeatedly over a 12-Month Period. Second, Assessment of the Efficacy and Tolerability of a Second, Double-Blind Dose of 2.5-Mg Frovatriptan, Compared with Placebo, for Nonresponse at 2 Hours after Treatment of Moderate or Severe Headache with 2.5-Mg Frovatriptan. Results. with Regard to the First Attack Treated, 173 (36%) of the 486 Subjects in the Study Did …
A Structural, Magnetic, And Mössbauer Spectral Study Of The Tbco₄₋ₓfeₓb Compounds With X=0, 1, And 2, Herv´ Mayot, Olivier Isnard, Fernande Grandjean, Gary J. Long
A Structural, Magnetic, And Mössbauer Spectral Study Of The Tbco₄₋ₓfeₓb Compounds With X=0, 1, And 2, Herv´ Mayot, Olivier Isnard, Fernande Grandjean, Gary J. Long
Chemistry Faculty Research & Creative Works
The TbCo4-x Fex B compounds with x=0, 1, and 2 have been investigated by x-ray and neutron diffraction, magnetic measurements, and iron-57 Mössbauer spectroscopy. The substitution of cobalt by iron induces both an anisotropic increase in the unit-cell volume and a large increase of approximately 250 K in the Curie temperature; the 4.2 K magnetization decreases continuously with increasing iron content. The powder neutron diffraction patterns and the Mössbauer spectra of the TbCo4-x Fex B compounds reveal a strong preferential substitution of iron for cobalt on the 2c site, small transition metal magnetic moments of approximately …
Developmental Expression Of Xenopus Myosin 1d And Identification Of A Myo1d Tail Homology That Overlaps Th1, Janine M. Leblanc-Straceski, Anna Sokac, William Bement, Pablo Sobrado, Laura Lemoine
Developmental Expression Of Xenopus Myosin 1d And Identification Of A Myo1d Tail Homology That Overlaps Th1, Janine M. Leblanc-Straceski, Anna Sokac, William Bement, Pablo Sobrado, Laura Lemoine
Chemistry Faculty Research & Creative Works
Xenopus laevis myosin 1d (XlMyo1d) is a member of the myosin I class, subclass 4. Members of this class are single headed, bind calmodulin light chains and have lipid binding domains in their tails. The rat myo1d homologue has been implicated in endosome vesicle recycling in epithelial cells. Mutations in the Drosophila myosin 1d homologue cause situs inversus in the abdomen. The XlMyo1d cDNA has been cloned and the derived amino acid sequence is 80% identical to the rat and human homologues. Sequence comparison revealed a novel isoform-specific tail homology embedded in the Tail Homology 1 (TH1) domain characteristic of …
Ccsd(T) Complete Basis Set Limit Relative Energies For Low-Lying Water Hexamer Structures, Desiree M. Bates, Gregory S. Tschumper
Ccsd(T) Complete Basis Set Limit Relative Energies For Low-Lying Water Hexamer Structures, Desiree M. Bates, Gregory S. Tschumper
Chemistry Faculty Research & Creative Works
MP2 and CCSD(T) complete basis set (CBS) limit relative electronic energies (ΔE e) have been determined for eight low-lying structures of the water hexamer by combining explicitly correlated MP2-R12 computations with higher-order correlation corrections from CCSD(T) calculations. Higher-order correlation effects are quite substantial and increase ΔE e by at least +0.19 kcalmol-1 and as much as +0.59 kcalmol-1. The effects from zero-point vibrational energy (ZPVE) have been assessed from unsealed harmonic vibrational frequencies computed at the MP2 level with a correlation consistent triple-̌ basis set (cc-pVTZ for H and aug-cc-pVTZ for O). ZPVE effects are even more …
Influence Of The Rare-Earth Element On The Effects Of The Structural And Magnetic Phase Transitions In Cefeaso, Prfeaso And Ndfeaso, Michael A. Mcguire, Raphäel P. Hermann, Athena S. Sefat, Brian C. Sales, Rongying Jin, David Mandrus, Fernande Grandjean, Gary J. Long
Influence Of The Rare-Earth Element On The Effects Of The Structural And Magnetic Phase Transitions In Cefeaso, Prfeaso And Ndfeaso, Michael A. Mcguire, Raphäel P. Hermann, Athena S. Sefat, Brian C. Sales, Rongying Jin, David Mandrus, Fernande Grandjean, Gary J. Long
Chemistry Faculty Research & Creative Works
We present results of transport and magnetic properties and heat capacity measurements on polycrystalline CeFeAsO, PrFeAsO and NdFeAsO. These materials undergo structural phase transitions, spin density wave-like magnetic ordering of small moments on iron and antiferromagnetic ordering of rare-earth moments. The temperature dependence of the electrical resistivity, Seebeck coefficient, thermal conductivity, Hall coefficient and magnetoresistance are reported. The magnetic behavior of the materials have been investigated using Mössbauer spectroscopy and magnetization measurements. Transport and magnetic properties are affected strongly by the structural and magnetic transitions, suggesting significant changes in the band structure and/or carrier mobilities occur, and phonon-phonon scattering is …
Comparison Of Polarization Consistent And Correlation Consistent Basis Sets For Noncovalent Interactions, Adel M. Elsohly, Gregory S. Tschumper
Comparison Of Polarization Consistent And Correlation Consistent Basis Sets For Noncovalent Interactions, Adel M. Elsohly, Gregory S. Tschumper
Chemistry Faculty Research & Creative Works
The convergence of the polarization consistent family of basis sets to the MP2 complete basis set (CBS) limit has been examined for the dissociation energies of five weakly bound clusters: (HF)2, (HF)3, (H2O)2, (H2O)3, and (C2H2)2. MP2 results obtained with two series of polarization consistent basis sets and the analogous series of Dunning's correlation consistent basis sets are compared to the CBS limits obtained with the explicitly correlated MP2-R12 method. Although the polarization consistent basis sets do converge systematically to the CBS …
Earth's Heat Source -- The Sun, Oliver Manuel
Earth's Heat Source -- The Sun, Oliver Manuel
Chemistry Faculty Research & Creative Works
The Sun encompasses planet Earth, supplies the heat that warms it, and even shakes it. The United Nation's Intergovernmental Panel on Climate Change (IPCC) assumed that solar influence on Earth's climate is limited to changes in solar irradiance and adopted the consensus opinion of a hydrogen-filled Sun - the Standard Solar Model (SSM). They did not consider the alternative solar model and instead adopted another consensus opinion: Anthropogenic greenhouse gases play a dominant role in climate change. The SSM fails to explain the solar wind, solar cycles, and the empirical link of solar surface activity with Earth's changing climate. The …
Phonon Confinement Effects In The Raman Spectrum Of Nanodiamond, Sebastian Osswald, Vadym Mochalin, Mickaël Havel, Gleb N. Yushin, Yury G. Gogotsi
Phonon Confinement Effects In The Raman Spectrum Of Nanodiamond, Sebastian Osswald, Vadym Mochalin, Mickaël Havel, Gleb N. Yushin, Yury G. Gogotsi
Chemistry Faculty Research & Creative Works
Nanodiamonds (ND) exhibit unique properties due to their small size and high surface-to-volume ratio compared to bulk diamonds. A reduction in crystal size also affects ND Raman spectra. The confinement of optical phonons in nanocrystals (<10 nm) results in asymmetrically broadened Raman lines, which are shifted toward lower wavenumbers. The phonon confinement model (PCM) relates the observed changes in the Raman spectra to the crystal size and can be used for size characterization at the nanoscale. While the PCM was successfully applied to a variety of materials including Si and BN, results remained unsatisfactory in the case of ND. In order to improve the agreement between the predictions of the model and experimental Raman spectra of ND, effects such as crystal size distribution, lattice defects, and the energy dispersion of the phonon modes were taken into consideration and incorporated into the PCM. This work has shown that phonon wave vectors from small vibrational domains lead to a broad shoulder peak at ~1250 cm-1, that is often observed in the Raman spectrum of ND.
Structural Study On Ammonia Borane For Hydrogen Storage, William Joseph James, L. Jagat, Q. Cai, William B. Yelon, J. B. Yang
Structural Study On Ammonia Borane For Hydrogen Storage, William Joseph James, L. Jagat, Q. Cai, William B. Yelon, J. B. Yang
Chemistry Faculty Research & Creative Works
Ammonia borane (BH3NH3) is a promising hydrogen storage material because of its high gravimetric (19.6 wt.% H2) and volumetric hydrogen density with an accompanying moderate decomposition temperature. Previously reported structures determined by using x-ray and neutron diffraction on hydrides show differences in bond lengths and atomic coordination. Here, the crystal structures of fully and half deuterated ammonia borane were investigated as a function of temperature using powder neutron diffraction. the neutron diffraction patterns show a significant difference due to large difference in the scattering length of D and H. It is evident that an order-disorder phase transition occurs around 225 …
Risk Indexes For Draft Ccl3 Chemicals, J. Alan Roberson, Matthew Lueders, Craig Adams, Jeffrey S. Rosen
Risk Indexes For Draft Ccl3 Chemicals, J. Alan Roberson, Matthew Lueders, Craig Adams, Jeffrey S. Rosen
Civil, Architectural and Environmental Engineering Faculty Research & Creative Works
To supplement the processes used for developing the draft third Contaminant Candidate List (CCL3) and better inform decisions made by the US Environmental Protection Agency on future CCLs, the authors offer an evaluation tool for efficiently synthesizing, visualizing, and organizing data for effective comparisons among contaminants. Graphical presentations of health effects-occurrence indexes were developed for more than 300 chemical contaminants, including those on the draft CCL3. a risk indexes framework was then used to elucidate the extent of available data, the data quality, and the underlying uncertainties for occurrence and toxicity. Choosing the appropriate contaminant for regulation is a complex …
A Study Of The Beneficial Role Of Thiol Antioxidant Supplementation In Various Forms Of Glutathione Deficiency, Linu Sara Abraham
A Study Of The Beneficial Role Of Thiol Antioxidant Supplementation In Various Forms Of Glutathione Deficiency, Linu Sara Abraham
Doctoral Dissertations
"Oxidative stress plays a major role in the pathology of numerous disorders afflicting humans, ranging from neurodegenerative diseases, to cancer, and heavy metal toxicity. Scientists are on the constant lookout for new and better antioxidants that have the ability to slow, if not stop the harmful degenerative effects of free radicals in oxidative stress related disorders. Both synthetic and naturally occurring compounds are being constantly screened for their antioxidant properties. This study attempted to evaluate the abilities of a thiol antioxidant, N-Acetylcysteine amide (NACA), to protect cells from the harmful effects of glutathione depletion in two different models of oxidative …
Investigation Of The Interactions Between Selected Nanoparticles And Human Lung Carcinoma Cells At The Single Cell And Single Particle Level, Isaac Stayton
Doctoral Dissertations
"The recent advances in nanomaterials development and applications have sparked concerns regarding the safety of these materials in living organisms. This body of work investigates specific interactions between chosen nanoparticles and living human lung carcinoma (A549) cells"--Abstract, page iv.
Electrodeposition Of Inorganic Materials With Tailored Shapes And Chiral Morphologies, Elizabeth A. Kulp
Electrodeposition Of Inorganic Materials With Tailored Shapes And Chiral Morphologies, Elizabeth A. Kulp
Doctoral Dissertations
"This dissertation investigates the electrodeposition of metal oxide films and biomaterial deposits on polycrystalline and single crystal substrates. Paper I describes the mechanisms and the characterization of an electrodeposited polycrystalline insulator, ceria (CeO₂), on Hastelloy substrates produced by the electrochemical oxidation of Ce(III) acetate complexes. In Paper II, epitaxial films of magnetite (Fe₃O₄) and ferrihydrite (Fe₁₀O₁₄(OH)₂) are deposited on gold single crystals. Paper III reports the electrodeposition of epitaxial Fe₃O₄ and zinc ferrite (ZnFe₂O₄) periodic nanostructures known as superlattices by pulsing between two potentials. Papers IV and V describe chiral electrodeposition. In Paper IV, epitaxial, chiral orientations of cupric oxide …
F₂-Isoprostanes Study After Exposure To Selected Nanoparticles By Liquid Chromatography/Tandem Mass Spectrometry And Investigation Of Nanoparticles On The Cytotoxicity Effect Of Arsenic In Vitro, Xiaoqian Liu
Doctoral Dissertations
"Nanopartices as a new class of materials found their applications in industry, aerospace, clinical diagnosis and cancer therapy. Recently, the health effects of nanoparticles have caused people great concerns. This dissertation studies the mechanisms of nanoparticle cytotoxicity in human lung epithelial cells (A549). F₂-isoprostanes are novel reliable biomarkers for lipid peroxidation. In the first part of this work, total free F₂-isoprostanes were quantified by high performance liquid chromatography/mass spectrometry followed by the exposure of SiO₂ (15 nm), CeO₂ (20 nm), Fe₂O₃ (30 nm), and ZnO (70 nm) nanoparticles for 24 hours. For the first time, the results showed that F₂-isoprostanes …