Digital Commons Network^™

Simulated Domain Wall Dynamics In Magnetic Nanowires, Andrew Kunz

Physics Faculty Research and Publications

The simulated domain wall dynamics in rectangular 10 nm thick, 2000 nm long Permalloy wires of varying width is presented. In the absence of an applied field the static domain wall length is found to be linearly dependent to the width of the nanowire. As magnetic fields of increasing strength are applied along the wire’s long axis, the domain wall motion changes from a uniform reversal to a steplike reversal. The onset of the stepping motion leads to a decrease in the domain wall speed. By continuing to increase the field it is possible to decrease the time between steps …

Thermal And Flame Properties Of Polyethylene And Polypropylene Nanocomposites Based On An Oligomerically–Modified Clay, Jinguo Zhang, David D. Jiang, Charles A. Wilkie

Chemistry Faculty Research and Publications

An oligomerically-modified clay was made using a surfactant which is the ammonium salt of an oligomer. The newly modified clay contains 37.5% inorganic clay and 62.5% oligomer. Polyethylene and polypropylene nanocomposites were made by melt blending the polymer with the oligomerically-modified clay in a Brabender mixer at various clay loadings. The structure of the nanocomposites was characterized by X-ray diffraction and transmission electron microscopy. Mechanical testing showed that the polyethylene nanocomposites had an enhanced Young's modulus and slightly decreased elongation, while the changes for polypropylene nanocomposites are small compared with the virgin polymers. The thermal stability and flame properties were …

The Redox Couple Of The Cytochrome C Cyanide Complex: The Contribution Of Heme Iron Ligation To The Structural Stability, Chemical Reactivity, And Physiological Behavior Of Horse Cytochrome C, Abel Schejter, Michael D. Ryan, Erica R. Blizzard, Chongyao Zhang, Emanuel Margoliash, Benjamin A. Feinberg

Chemistry Faculty Research and Publications

Contrary to most heme proteins, ferrous cytochrome c does not bind ligands such as cyanide and CO. In order to quantify this observation, the redox potential of the ferric/ferrous cytochrome c–cyanide redox couple was determined for the first time by cyclic voltammetry. Its E⁰′ was −240 mV versus SHE, equivalent to −23.2 kJ/mol. The entropy of reaction for the reduction of the cyanide complex was also determined. From a thermodynamic cycle that included this new value for the cyt c cyanide complex E⁰′, the binding constant of cyanide to the reduced protein was estimated to …

Simultaneous Ejection Of Six Electrons At A Constant Potential By Hexakis(4-Ferrocenylphenyl)Benzene, Vincent J. Chebny, Dwairath Dhar, Sergey V. Lindeman, Rajendra Rathore

Chemistry Faculty Research and Publications

A simple synthesis of a dendritic hexaferrocenyl electron donor (5) is described in which six ferrocene moieties are connected at the vertices of the propeller of the hexaphenylbenzene core. The molecular structure of 5 is confirmed by X-ray crystallography. An electrochemical analysis along with redox titrations (which are tantamount to coulometry) confirmed that it ejects six electrons at a single potential.

Sequential Binding Of Cobalt(Ii) To Metallo-Β-Lactamase Ccra, Gopal R. Periyannan, Alison L. Costello, David L. Tierney, Ke-Wu Yang, Brian Bennett, Michael W. Crowder

Physics Faculty Research and Publications

In an effort to probe Co(II) binding to metallo-β-lactamase CcrA, EPR, EXAFS, and ¹H NMR studies were conducted on CcrA containing 1 equiv (1-Co(II)-CcrA) and 2 equiv (Co(II)Co(II)-CcrA) of Co(II). The EPR spectra of 1-Co(II)-CcrA and Co(II)Co(II)-CcrA are distinct and indicate 5/6-coordinate Co(II) ions. The EPR spectra also reveal the absence of significant spin-exchange coupling between the Co(II) ions in Co(II)Co(II)-CcrA. EXAFS spectra of 1-Co(II)-CcrA suggest 5/6-coordinate Co(II) with two or more histidine ligands. EXAFS spectra of Co(II)Co(II)-CcrA also indicate 5/6 ligands at a similar average distance to 1-Co(II)-CcrA, including an average of about two histidines per Co(II). ^{1 …}

Highly Cooperative Tetrametallic Ruthenium-Μ-Oxo-Μ-Hydroxo Catalyst For The Alcohol Oxidation Reaction, Chae S. Yi, Tonya N. Zeczycki, Ilia A. Guzei

Chemistry Faculty Research and Publications

The tetrametallic ruthenium-oxo-hydroxo-hydride complex {[(PCy₃)(CO)RuH]₄(μ₄-O)(μ₃-OH)(μ₂-OH)} (1) was synthesized in two steps from the monomeric complex (PCy₃)(CO)RuHCl (2). The tetrameric complex 1 was found to be a highly effective catalyst for the transfer dehydrogenation of alcohols. Complex 1 showed a different catalytic activity pattern toward primary and secondary benzyl alcohols, as indicated by the Hammett correlation for the oxidation reaction of p-X-C₆H₄CH₂OH (ρ = −0.45) and p-X-C₆H₄CH(OH)CH₃ (ρ = +0.22) (X = …

Polystyrene Nanocomposites Based On An Oligomerically-Modified Clay Containing Maleic Anhydride, Xiaoxia Zheng, David D. Jiang, Charles A. Wilkie

Chemistry Faculty Research and Publications

An oligomerically-modified clay containing maleic anhydride was used to prepare polystyrene-clay nanocomposites by melt blending and the effect of this modified clay on the thermal stability and fire performance was studied. These nanocomposites were characterized by X-ray diffraction, transmission electron microscopy, thermogravimetric analysis and cone calorimetry. The results show a mixed immiscible/intercalated/delaminated morphology. The maleic anhydride modified clay improved the compatibility between the clay and the polystyrene.

Janus Scorpionates:  Supramolecular Tectons For The Directed Assembly Of Hard−Soft Alkali Metallopolymer Chains, Rosalice M. Silva, Chengeto Gwengo, Sergey V. Lindeman, Mark D. Smith, James R. Gardinier

Chemistry Faculty Research and Publications

A new scorpionate ligand [HB(mtda)₃^-] containing mercaptothiadiazolyl (mtda) heterocyclic rings with both hard nitrogen donors and soft sulfur donors has been prepared. This new ligand, the Janus scorpionate, is a hybrid of a tris(pyrazolyl)borate and a tris(mercaptoimidazolyl)borate. The differential hard/soft character of the dissimilar donor groups in this bridging ligand was exploited for the controlled solid-state organization of homometallic and heterometallic alkali metal coordination polymers. Remarkably, in the case of sodium, coordination polymers with both acentric (with NaS₃N₃H kernels) and centric (with alternating NaN₆ and NaS₆H₂ kernels) chains are …

Ligand-Promoted Solvent-Dependent Ionization And Conformational Equilibria Of Re(Co)3Br[Ch2(S-Tim)2] (Tim = 1-Methylthioimidazolyl). Crystal Structures Of Re(Co)3Br[Ch2(S-Tim)2] And {Re(Co)3(Ch3Cn)[Ch2(S-Tim)2]}(Pf6), Rosalice M. Silva, Brendan J. Liddle, Sergey V. Lindeman, Mark D. Smith, James R. Gardinier

Chemistry Faculty Research and Publications

The compounds Re(CO)₃Br[CH₂(S-tim)₂] (1) and {Re(CO)₃(CH₃CN)[CH₂(S-tim)₂]}(PF₆) (2), where tim is 1-methylthioimidazolyl, were prepared in high yields and characterized both in the solid state and in solution. The solid-state structures show that the ligand acts in a chelating binding mode where the eight-member chelate ring adopts twist-boat conformations in both compounds. A comparison of both solid-state IR data for CO stretching frequencies and the solution-phase voltammetric measurements for the Re^1+/2+ couples between 1, 2, …

A Practical Synthesis Of Bridged Diarylacetylenes, Ruchi Shukla, Daniel M. Brody, Sergey V. Lindeman, Rajendra Rathore

Chemistry Faculty Research and Publications

An efficient and practical synthesis of bridged diarylacetylenes in multigram quantities has been successfully carried out using high-yielding (classical) synthetic methods and readily available starting materials. The structural analysis of the representative bridged diarylacetylenes by X-ray crystallography strongly suggests that conformations, bending of the linear triple bond, and the angle between the mean planes of aromatic rings in various bridged diarylacetylenes are governed by the p−π conjugation among the aromatic rings and the ethereal groups. Furthermore, the synthetic scheme also allows the preparation of (appropriately) bromo-substituted bridged diarylacetylenes which hold potential for their future usage for the preparation of polymeric …

The Chang-Los-Suszko Theorem In A Topological Setting, Paul Bankston

Mathematics, Statistics and Computer Science Faculty Research and Publications

The Chang-Łoś-Suszko theorem of first-order model theory characterizes universal-existential classes of models as just those elementary classes that are closed under unions of chains. This theorem can then be used to equate two model-theoretic closure conditions for elementary classes; namely unions of chains and existential substructures. In the present paper we prove a topological analogue and indicate some applications.

Specific Antibodies To Recombinant Allergens Of Aspergillus Fumigatus In Cystic Fibrosis Patients With Abpa, Viswanath P. Kurup, Alan P. Knutsen, Richard B. Moss, Naveen K. Bansal

Mathematics, Statistics and Computer Science Faculty Research and Publications

Background

Aspergillus fumigatus, a widely distributed fungus, has been implicated in causing life threatening infections as well as severe asthma and allergic diseases in man. Allergic affliction like allergic bronchopulmonary aspergillosis (ABPA) is a disabling lung disease frequently seen in patients with asthma and cystic fibrosis. Immunodiagnosis of the former is comparatively easier due to the availability of purified antigens and sensitive methods. However, this is not true with cystic fibrosis patients where the prevalence of ABPA is fairly high and the morbidity and mortality are significant.

Methods

In the present study, we have evaluated purified recombinant allergens from …