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2006

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Posterminaries: After Nabarro, Alexander H. King Nov 2006

Posterminaries: After Nabarro, Alexander H. King

Alexander H. King

With the passing of Frank Nabarro in July of this year, we have lost one of the founding fathers of materials science. His name appears in many of the textbooks from which we train our students today, and also on the spines of several volumes on dislocation theory, including his classic monograph on the subject. He rightly stands among the gods of our field. Ninety years old at his death, he was a sprightly dancer at the frontiers of knowledge, right up to the end.


Bis(1,2-Dihydroxy­Benzene) Hexa­Methyl­Ene­Tetra­Mine, Philias Daka, Kraig A. Wheeler Nov 2006

Bis(1,2-Dihydroxy­Benzene) Hexa­Methyl­Ene­Tetra­Mine, Philias Daka, Kraig A. Wheeler

Kraig A. Wheeler

The title binary complex, 2C6H6O2·C6H12N4, is constructed from hexa­methyl­ene­tetra­mine, positioned about a twofold symmetry operator, and 1,2-dihydroxy­benzene. Each of the four tertiary amine N atoms participates in O—H⋯N contacts that produce mol­ecular strands that propagate along the c axis.


(Acetonitrile-Κn){2-[Bis­(2-Pyridylethyl)­Amino]Ethanol-Κ4n,N′,N′′,O}Zinc(Ii) Bis­(Perchlorate) Monohydrate, Hong-Chang Liang, Marcel M. Hetu, Kraig A. Wheeler, Lev N. Zakharov, Arnold L. Rheingold Nov 2006

(Acetonitrile-Κn){2-[Bis­(2-Pyridylethyl)­Amino]Ethanol-Κ4n,N′,N′′,O}Zinc(Ii) Bis­(Perchlorate) Monohydrate, Hong-Chang Liang, Marcel M. Hetu, Kraig A. Wheeler, Lev N. Zakharov, Arnold L. Rheingold

Kraig A. Wheeler

In the title compound, [Zn(C2H3N)(C16H21N3O)](ClO4)2·H2O, the ZnII ion is coordinated by two pyridyl N atoms, one amine N atom, and an ethanol O atom from the N,N′,N′′,O-tetra­dentate 2-[bis­(2-pyridylethyl)amino]­ethanol donor ligand. The fifth coordination site is filled by an acetonitrile N atom, and there is one solvent water mol­ecule in the asymmetric unit. The 2+ charge of the cationic portion of the complex is balanced by two perchlorate counter-anions.


Anaerobic Catalytic Oxidation Of Hydrocarbons In Moving Heat Waves. Case Simulation: Propane Oxidative Dehydrogenation In A Packed Adiabatic V-Ti Oxide Catalyst Bed, Andrey N. Zagoruiko Oct 2006

Anaerobic Catalytic Oxidation Of Hydrocarbons In Moving Heat Waves. Case Simulation: Propane Oxidative Dehydrogenation In A Packed Adiabatic V-Ti Oxide Catalyst Bed, Andrey N. Zagoruiko

Andrey N Zagoruiko

The model simulation study has shown that the anaerobic process of oxidative dehydrogenation of propane under periodic alteration of feeding between propane and air may be realized in adiabatic catalyst beds in stable continuous cyclic mode in two-reactor scheme. In case of appropriate choice of process parameters (cycle duration, feeding flow rates) the process appears to be autothermal, i.e. it does not require any inlet gas preheating for stable operation. Compared to similar steady-state adiabatic process, the proposed process is characterized with much lower maximum catalyst temperatures, giving the way to process pure propane without diluting it with inert gases, …


Semicrystalline Thermoplastic Elastomeric Polyolefins: Advances Through Catalyst Development And Macromolecular Design, Atsushi Hotta, Eric W. Cochran, Janne Ruokolainen, Vikram Khann, Glenn H. Fredrickson, Edward J. Kramer, Yong-Woo Shin, Fumihiko Shimizu, Anna E. Cherian, Phillip D. Hustad, Jeffrey M. Rose, Geoffrey W. Coates Oct 2006

Semicrystalline Thermoplastic Elastomeric Polyolefins: Advances Through Catalyst Development And Macromolecular Design, Atsushi Hotta, Eric W. Cochran, Janne Ruokolainen, Vikram Khann, Glenn H. Fredrickson, Edward J. Kramer, Yong-Woo Shin, Fumihiko Shimizu, Anna E. Cherian, Phillip D. Hustad, Jeffrey M. Rose, Geoffrey W. Coates

Eric W. Cochran

We report the design, synthesis, morphology, phase behavior, and mechanical properties of semicrystalline, polyolefin-based block copolymers. By using living, stereoselective insertion polymerization catalysts, syndiotactic polypropylene-block-poly(ethylene-co-propylene)-block-syndiotactic polypropylene and isotactic poly propylene-block-regioirregular poly propylene-block- isotactic polypropylene triblock copolymers were synthesized. The volume fraction and composition of the blocks, as well as the overall size of the macromolecules, were controlled by sequential synthesis of each block of the polymers. These triblock copolymers, with semicrystalline end-blocks and mid-segments with low glass-transition temperatures, show significant potential as thermoplastic elastomers. They have low Young's moduli, large strains at break, and better than 90% elastic recovery at …


Hydrogen And Deuterium Exchange On Pt(111) And Its Poisoning By Carbon Monoxide Studied By Surface Sensitive High-Pressure Techniques, Max Montano, Kaitlin M. Bratlie, Miquel Salmeron, Gabor A. Somorjai Oct 2006

Hydrogen And Deuterium Exchange On Pt(111) And Its Poisoning By Carbon Monoxide Studied By Surface Sensitive High-Pressure Techniques, Max Montano, Kaitlin M. Bratlie, Miquel Salmeron, Gabor A. Somorjai

Kaitlin M. Bratlie

Catalytic hydrogen/deuterium exchange on a platinum (111) single crystal and its poisoning with carbon monoxide was studied using scanning tunneling microscopy (STM), X-ray photoelectron spectroscopy (XPS), sum frequency generation vibrational spectroscopy (SFG), and mass spectrometry under reaction conditions at pressures in the mTorr to atmospheric range. At 298 K and in the presence of 200 mTorr of hydrogen and 20 mTorr of deuterium the surface is catalytically active, producing HD with activation energy of 5.3 kcal/mol. Addition of 5 mTorr of CO stops the reaction completely. In situ STM images reveal an ordered surface structure of chemisorbed CO. At 353 …


Occlusion Of Grubbs' Catalysts In Active Membranes Of Polydimethylsiloxane:  Catalysis In Water And New Functional Group Selectivities, Martin T. Mwangi, M. Brett Runge, Ned B. Bowden Oct 2006

Occlusion Of Grubbs' Catalysts In Active Membranes Of Polydimethylsiloxane:  Catalysis In Water And New Functional Group Selectivities, Martin T. Mwangi, M. Brett Runge, Ned B. Bowden

Martin M. Thuo

The Grubbs' first and second generation catalysts were occluded into cross-linked slabs of polydimethylsiloxane with volumes from 1 mm3 to 1 cm3 by swelling the polymer with catalyst and methylene chloride. Methylene chloride was evaporated under vacuum to yield occluded catalysts where their solvent was polydimethylsiloxane. These occluded catalysts were reacted with alkenes dissolved in H2O or H2O/MeOH mixtures that diffused into the polydimethylsiloxane to react by ring-closing metathesis and cross metathesis. Control experiments revealed that the catalysts remained occluded and metathesis did not occur in the solvent. Occlusion of these catalysts allowed commercially available Grubbs' catalysts to be used …


Sum Frequency Generation Vibrational Spectroscopic And High-Pressure Scanning Tunneling Microscopic Studies Of Benzene Hydrogenation On Pt(111), Kaitlin M. Bratlie, Max O. Montano, Lucio D. Flores, Matti Paajanen, Gabor A. Somorjai Oct 2006

Sum Frequency Generation Vibrational Spectroscopic And High-Pressure Scanning Tunneling Microscopic Studies Of Benzene Hydrogenation On Pt(111), Kaitlin M. Bratlie, Max O. Montano, Lucio D. Flores, Matti Paajanen, Gabor A. Somorjai

Kaitlin M. Bratlie

Sum frequency generation (SFG) vibrational spectroscopy and high-pressure scanning tunneling microscopy (HP-STM) have been used in combination for the first time to study a catalytic reaction. These techniques have been able to identify surface intermediates in situ during benzene hydrogenation on a Pt(111) single-crystal surface at Torr pressures.


Structure Effects Of Benzene Hydrogenation Studied With Sum Frequency Generation Vibrational Spectroscopy And Kinetics On Pt(111) And Pt(100) Single-Crystal Surfaces, Kaitlin M. Bratlie, Christopher J. Kliewer, Gabor A. Somorjai Sep 2006

Structure Effects Of Benzene Hydrogenation Studied With Sum Frequency Generation Vibrational Spectroscopy And Kinetics On Pt(111) And Pt(100) Single-Crystal Surfaces, Kaitlin M. Bratlie, Christopher J. Kliewer, Gabor A. Somorjai

Kaitlin M. Bratlie

Sum frequency generation (SFG) surface vibrational spectroscopy and kinetic measurements using gas chromatography have identified at least two reaction pathways for benzene hydrogenation on the Pt(100) and Pt(111) single-crystal surfaces at Torr pressures. Kinetic studies at low temperatures (310-370 K) show that benzene hydrogenation does not proceed through cyclohexene. A Langmuir-Hinshelwood-type rate law for the low-temperature reaction pathway is identified. The rate-determining step for this pathway is the addition of the first hydrogen atom to adsorbed benzene for both single-crystal surfaces, which is verified by the spectroscopic observation of adsorbed benzene at low temperatures on both the Pt(100) and Pt(111) …


Posterminaries: The Scales Of Judgement, Alexander H. King Sep 2006

Posterminaries: The Scales Of Judgement, Alexander H. King

Alexander H. King

Materials scientists are generally well-versed in physics, and physics, above all, is a science of measurements. The first instinct of a physicist is to parse a problem in terms of its measurables in the dimensions of mass, length, and time, and it is the shifting of attention down the scale of length that particularly characterizes our present times as the Nano Age.


N-(2-Aminobenzyl)-N,N-Bis(Quinolin- 2-Ylmethyl)Amine, Abhijit Mitra, Pamela J. Seaton, Kraig A. Wheeler Sep 2006

N-(2-Aminobenzyl)-N,N-Bis(Quinolin- 2-Ylmethyl)Amine, Abhijit Mitra, Pamela J. Seaton, Kraig A. Wheeler

Kraig A. Wheeler

The title new diquinaldine derivative, C27H24N4, forms mol­ecular assemblies organized by inter­molecular quinoline π–π stacking [3.356 (3) and 3.440 (3) Å] and both inter- and intra­molecular N—H⋯N hydrogen bonds [3.039 (3)–3.104 (3) Å and 129 (2)–172 (2)°]. The combination of such inter­actions provides readily definable contacts that propagate along each crystallographic axis.


The Structure And Thermochemistry Of 3:4,5:6-Dibenzo-2-Hydroxymethylene-Cyclohepta-3,5-Dienenone ( 1 ) And Some Related Compounds, Stefan Perişanu, Iulia Contineanu, Mircea D. Banciu, Hui Zhao, Nigam Rath, James Chickos Aug 2006

The Structure And Thermochemistry Of 3:4,5:6-Dibenzo-2-Hydroxymethylene-Cyclohepta-3,5-Dienenone ( 1 ) And Some Related Compounds, Stefan Perişanu, Iulia Contineanu, Mircea D. Banciu, Hui Zhao, Nigam Rath, James Chickos

James Chickos

No abstract provided.


Oxidative Carbonylation And Conjugated Processes With Carbon Monoxide Participation Catalyzed By Palladium Complexes (In Russian), Lev G. Bruk, Irina V. Oshanina, Sergey N. Gorodsky, Oleg N. Temkin Aug 2006

Oxidative Carbonylation And Conjugated Processes With Carbon Monoxide Participation Catalyzed By Palladium Complexes (In Russian), Lev G. Bruk, Irina V. Oshanina, Sergey N. Gorodsky, Oleg N. Temkin

Sergey N. Gorodsky

No abstract provided.


Strychninium (S)-2-(2-Bromo­Phen­Oxy)Propanoate 1.4-Hydrate, Kraig A. Wheeler, Aaron M. Lineberry Aug 2006

Strychninium (S)-2-(2-Bromo­Phen­Oxy)Propanoate 1.4-Hydrate, Kraig A. Wheeler, Aaron M. Lineberry

Kraig A. Wheeler

In the title mol­ecular salt, C21H23N2O2+·C9H8BrO3−·1.4H2O, the components are linked by inter­molecular C—O−⋯H—+N and OW—H⋯O inter­actions.


Dynamics Of Surface Catalyzed Reactions; The Roles Of Surface Defects, Surface Diffusion, And Hot Electrons, Gabor Somorjai, Kaitlin Bratlie, Max Montano, Jeong Park Jun 2006

Dynamics Of Surface Catalyzed Reactions; The Roles Of Surface Defects, Surface Diffusion, And Hot Electrons, Gabor Somorjai, Kaitlin Bratlie, Max Montano, Jeong Park

Kaitlin M. Bratlie

The mechanism that controls bond breaking at transition metal surfaces has been studied with sum frequency generation (SFG), scanning tunneling microscopy (STM), and catalytic nanodiodes operating under the highpressure conditions. The combination of these techniques permits us to understand the role of surface defects, surface diffusion, and hot electrons in dynamics of surface catalyzed reactions. Sum frequency generation vibrational spectroscopy and kinetic measurements were performed under 1.5 Torr of cyclohexene hydrogenation/dehydrogenation in the presence and absence of H2 and over the temperature range 300-500 K on the Pt(100) and Pt(111) surfaces. The structure specificity of the Pt(100) and Pt(111) surfaces …


The Ultraviolet Spectrum Of The Cocl2 Radical, Studied At Vibrational And Rotational Resolution, Thomas Varberg, Philip J. Hodges, John M. Brown May 2006

The Ultraviolet Spectrum Of The Cocl2 Radical, Studied At Vibrational And Rotational Resolution, Thomas Varberg, Philip J. Hodges, John M. Brown

Thomas D. Varberg

No abstract provided.


Selective Catalytic Oxidation Of Hydrogen Sulfide For Cleanup Of Claus Tail Gases: Startup Of Industrial Installation At Omsk Refinery, Andrey N. Zagoruiko, Vladimir V. Mokrinskii, Nataly A. Chumakova, Galina A. Bukhtiarova, Sergey V. Vanag, Tatiana V. Borisova, Galina G. Isaeva, Boris G. Kozorog May 2006

Selective Catalytic Oxidation Of Hydrogen Sulfide For Cleanup Of Claus Tail Gases: Startup Of Industrial Installation At Omsk Refinery, Andrey N. Zagoruiko, Vladimir V. Mokrinskii, Nataly A. Chumakova, Galina A. Bukhtiarova, Sergey V. Vanag, Tatiana V. Borisova, Galina G. Isaeva, Boris G. Kozorog

Andrey N Zagoruiko

The presentation describes the experience of development and commercialization of the catalyst and the process for selective oxidation of H2S into sulfur, which was put into industrial operation at Omsk Refinery (Omsk, Russia) in 2004.


Ionic Liquids In Analytical Chemistry, Jared L. Anderson, Daniel W. Armstrong, Guor-Tzo Wei May 2006

Ionic Liquids In Analytical Chemistry, Jared L. Anderson, Daniel W. Armstrong, Guor-Tzo Wei

Jared L. Anderson

Room-temperature ionic liquids (RTILs), also known as liquid organic, molten, or fused salts, are a class of nonmolecular ionic solvents with low melting points. The accepted definition of an RTIL is any salt that has a melting point lower than ambient temperature (1). However, “ionic liquid” (IL) is often applied to any compound that has a melting point <100 °C. Most common RTILs are composed of unsymmetrically substituted nitrogen-containing cations (e.g., imidazole, pyrrolidine, pyridine) with inorganic anions (e.g., Cl–, PF6 –, BF4 –). ILs are also interesting because of their other useful and intriguing physicochemical properties. Wilkes et al. first reported ambient-temperature ILs based on the 1-alkyl-3-methylimidazolium cation in 1982 (2). Since then, many ILs containing a variety of cations and anions of different sizes have been synthesized to provide specific characteristics.


Distinct Glycan Structures Of Uroplakins Ia And Ib, Bo Xie, Ge Zhou, Shiu-Yung Chan, Ellen Shapiro, Xiant-Peng Kong, Xue-Ru Wu, Tung-Tien Sun, Catherine E. Costello May 2006

Distinct Glycan Structures Of Uroplakins Ia And Ib, Bo Xie, Ge Zhou, Shiu-Yung Chan, Ellen Shapiro, Xiant-Peng Kong, Xue-Ru Wu, Tung-Tien Sun, Catherine E. Costello

Bo Xie

Although it has been shown that mouse uroplakin (UP) Ia, a major glycoprotein of urothelial apical surface, can serve as the receptor for the FimH lectin adhesin of type 1-fimbriated Escherichia coli, the organism that causes a great majority of urinary tract infections, the glycan structure of this native receptor was unknown. Using a sensitive approach that combines in-gel glycosidase and protease digestions, permethylation of released glycans, and mass spectrometry, we have elucidated for the first time the native glycoform structures of the mouse UPIa receptor and those of its non-binding homolog, UPIb, and have determined the glycosylation site occupancy. …


In Situ Sum Frequency Generation Vibrational Spectroscopy Observation Of A Reactive Surface Intermediate During High-Pressure Benzene Hydrogenation, Kaitlin M. Bratlie, Lucio D. Flores, Gabor A. Somorjai May 2006

In Situ Sum Frequency Generation Vibrational Spectroscopy Observation Of A Reactive Surface Intermediate During High-Pressure Benzene Hydrogenation, Kaitlin M. Bratlie, Lucio D. Flores, Gabor A. Somorjai

Kaitlin M. Bratlie

Sum frequency generation surface vibrational spectroscopy and kinetic measurements using gas chromatography have been used to identify a reactive surface intermediate in situ during hydrogenation of benzene on a Pt(111) single crystal surface at Torr pressures. Upon adsorption at 310 K, both chemisorbed and physisorbed benzene coexist on the surface, a result which has not previously been observed. Kinetic measurements show a linear compensation effect for the production of both cyclohexane and cyclohexene. From these data the isokinetic temperature was identified and correlated to the chemisorbed benzene species, which were probed by means of vibrational spectroscopy. Additionally, chemisorbed benzene was …


Biochemical Characterization Of The Major Sorghum Grain Peroxidase, Mamoudou H. Dicko, Harry Gruppen, Riet Hilhorst, Alphons G. J. Voragen, Willen W. H. Van Berkel Apr 2006

Biochemical Characterization Of The Major Sorghum Grain Peroxidase, Mamoudou H. Dicko, Harry Gruppen, Riet Hilhorst, Alphons G. J. Voragen, Willen W. H. Van Berkel

Pr. Mamoudou H. DICKO, PhD

The major cationic peroxidase in sorghum grain (SPC4) , which is ubiquitously present in all sorghum varieties was purified to apparent homogeneity, and found to be a highly basic protein (pI #1;11). MS analysis showed that SPC4 consists of two glycoforms with molecular masses of 34227 and 35629 Da and it contains a type-b heme. Chemical deglycosylation allowed to estimate sugar contents of 3.0% and 6.7% (w ⁄ w) in glycoform I and II, respectively, and a mass of the apoprotein of 33 246 Da. High performance anion exchange chromatography allowed to determine the carbohydrate constituents of the polysaccharide chains. …


Manipulating Polar Ferromagnetism In Transition Metal Doped Zno: Why Manganese Is Different From Cobalt, Kevin R. Kittilstved, D. R. Gamelin Apr 2006

Manipulating Polar Ferromagnetism In Transition Metal Doped Zno: Why Manganese Is Different From Cobalt, Kevin R. Kittilstved, D. R. Gamelin

Kevin R. Kittilstved

High-temperature magnetic ordering in Mn2+- and Co2+-doped ZnO diluted magnetic semiconductors has been predicted theoretically and confirmed experimentally to have different charge-carrier requirements. This paper summarizes some of these experimental and theoretical results and relates the different carrier polarity requirements for 300 K ferromagnetism in Mn2+:ZnO and Co2+:ZnO to differences in the charge-transfer electronic structures of these two materials.


New Oscillating Reaction – Phenylacetylene Oxidative Carbonylation To Anhydride Of Phenylmaleic Acid (In Russian), Sergey N. Gorodsky, Olga V. Kasatkina, Lev G. Bruk, Oleg N. Temkin Feb 2006

New Oscillating Reaction – Phenylacetylene Oxidative Carbonylation To Anhydride Of Phenylmaleic Acid (In Russian), Sergey N. Gorodsky, Olga V. Kasatkina, Lev G. Bruk, Oleg N. Temkin

Sergey N. Gorodsky

No abstract provided.


Phase Change Enthalpies And Entropies Of Liquid Crystals, William E. Acree, James S. Chickos Jan 2006

Phase Change Enthalpies And Entropies Of Liquid Crystals, William E. Acree, James S. Chickos

James Chickos

No abstract provided.


Evaluation Of The Vaporization, Fusion, And Sublimation Enthalpies Of The 1-Alkanols: The Vaporization Enthalpy Of 1-, 6-, 7-, And 9-Heptadecanol, 1-Octadecanol, 1-Eicosanol, 1-Docosanol, 1-Hexacosanol, And Cholesterol At T = 298.15 K By Correlation Gas Chromatography, Gary Nichols, Sasha Kweskin, Margaret Frericks, Sarah Reiter, Gin Wang, Jennifer Orf, Brett Carvallo, Dorothea Hillesheim, James Chickos Jan 2006

Evaluation Of The Vaporization, Fusion, And Sublimation Enthalpies Of The 1-Alkanols: The Vaporization Enthalpy Of 1-, 6-, 7-, And 9-Heptadecanol, 1-Octadecanol, 1-Eicosanol, 1-Docosanol, 1-Hexacosanol, And Cholesterol At T = 298.15 K By Correlation Gas Chromatography, Gary Nichols, Sasha Kweskin, Margaret Frericks, Sarah Reiter, Gin Wang, Jennifer Orf, Brett Carvallo, Dorothea Hillesheim, James Chickos

James Chickos

No abstract provided.


Investigation Of Coke Deposition And Coke Inhibition By Organosulfur Compounds In The Pyrolysis Of Naphtha In The Jet Stirred Reactor System, D Salari, A Niaei, J Towfighi, P Panahi, Reza Nabavi Jan 2006

Investigation Of Coke Deposition And Coke Inhibition By Organosulfur Compounds In The Pyrolysis Of Naphtha In The Jet Stirred Reactor System, D Salari, A Niaei, J Towfighi, P Panahi, Reza Nabavi

Seyed Reza nabavi

No abstract provided.


Textural And Fractal Properties Of Cuo/Al2o3 Catalyst Supports, Zeljko D. Cupic Jan 2006

Textural And Fractal Properties Of Cuo/Al2o3 Catalyst Supports, Zeljko D. Cupic

Zeljko D Cupic

No abstract provided.


The Role Of Connective Tissue Growth Factor In Skeletal Growth And Development, Philadelphia University Jan 2006

The Role Of Connective Tissue Growth Factor In Skeletal Growth And Development, Philadelphia University

Philadelphia University, Jordan

No abstract provided.


Posterminaries: Plain Text, Alexander H. King Jan 2006

Posterminaries: Plain Text, Alexander H. King

Alexander H. King

You just can’t win an argument with an English professor.


Gold Nanoparticles Propulsion From Surface Fueled By Absorption Of Femtosecond Laser Pulse At Their Surface Plasmon Resonance, Wenyu Huang, Wei Qian, Mostafa A. El-Sayed Jan 2006

Gold Nanoparticles Propulsion From Surface Fueled By Absorption Of Femtosecond Laser Pulse At Their Surface Plasmon Resonance, Wenyu Huang, Wei Qian, Mostafa A. El-Sayed

Wenyu Huang

Femtosecond laser irradiation of assembled nanoprisms on a quartz substrate at their strong absorbing surface plasmon resonance frequency causes their propulsion from the substrate. SEM and AFM show that the particles fly while keeping their prismatic shape, but they decrease in size by an amount that can be calculated assuming atomic sublimation. Several mechanisms are mentioned, but the sublimation mechanism, which rapidly builds up pressure under the particle and propels it away from substrate, is discussed in detail. From the kinetic energy given to the flying nanoparticle, an initial velocity of ∼160 m/s (∼360 miles/h) is calculated. The dependence of …