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Articles 751 - 780 of 1157

Full-Text Articles in Physical Sciences and Mathematics

Crystal Growth And Structure Determination Of Novel Barium Rhodates: Stepping Stones Towards 2h-Barho3, Katherine Stitzer, Ahmed Abed, Jacques Darriet, Hans Conrad Zur Loye Nov 2011

Crystal Growth And Structure Determination Of Novel Barium Rhodates: Stepping Stones Towards 2h-Barho3, Katherine Stitzer, Ahmed Abed, Jacques Darriet, Hans Conrad Zur Loye

Hans Conrad zur Loye

Single crystals of two new barium rhodates were grown from a molten potassium carbonate flux. The new rhodates, Ba11Rh10O30 and Ba32Rh29O87, are structurally related to the 2H-hexagonal perovskite structure and are characterized by pseudo one-dimensional chains of alternating face-sharing trigonal prisms and octahedra. The structures of Ba11Rh10O30 and Ba32Rh29O87 were solved using the 4D superspace group approach in Jana2000. Ba11Rh10O30, with a repeat of nine RhO6 octahedra followed by one RhO6 …

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Trisodium Dicalcium Bismuth Hexaoxide, Irina Puzdrjakova, Rene Macquart, Mark Smith, Hans Conrad Zur Loye Nov 2011

Trisodium Dicalcium Bismuth Hexaoxide, Irina Puzdrjakova, Rene Macquart, Mark Smith, Hans Conrad Zur Loye

Hans Conrad zur Loye

Single crystals of the title compound, Na3Ca2BiO6, were grown from a high-temperature reactive flux solution of Na2CO3. Na3Ca2BiO6 crystallizes as an ordered rock-salt structure (space group Fddd), in which the octahedral holes in the oxide array are filled by an ordered 3:2:1 arrangement of Na+, Ca2+ and Bi5+ cations. All atoms except for one O atom lie on special positions; site symmetries are as follows: Bi 222, Ca 2, Na 222 and 2, O 2.

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Sm2Nairo6, A Monoclinically Distorted Double Perovskite, Samuel J. Mugavero Iii, Irina V. Puzdrjakova, Mark D. Smith, Hans Conrad Zur Loye Nov 2011

Sm2Nairo6, A Monoclinically Distorted Double Perovskite, Samuel J. Mugavero Iii, Irina V. Puzdrjakova, Mark D. Smith, Hans Conrad Zur Loye

Hans Conrad zur Loye

Single crystals of the lanthanide-containing iridate, disamarium sodium iridium hexaoxide, Sm2NaIrO6, were prepared via high-temperature flux growth and structurally characterized by single-crystal X-ray diffraction. The compound crystallizes in the monoclinic space group P21/n and is a double perovskite, consisting of a 1:1 ordered rock-salt-type lattice of corner-shared NaO6 and IrO6 distorted octahedra. Samarium occupies the eightfold coordination site generated by the connectivity of the octahedra.

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Ca4Pto6, J. Claridge, R. Layland, Hans Conrad Zur Loye Nov 2011

Ca4Pto6, J. Claridge, R. Layland, Hans Conrad Zur Loye

Hans Conrad zur Loye

Calcium platinum(IV) oxide has been synthesized from a flux and structurally characterized by single-crystal X-ray diffraction. It is isostructural with Sr4PtO6 [Randall & Katz (1959). Acta Cryst. 12, 519-521] and Ba4PtO6 [Wilkinson & Cheetham (1989). Acta Cryst. C45, 1672-1674].

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Diaquabis(5-Fluoro-2-Hydroxybenzoato-Κo1)Zinc(Ii), Diana Rishmawi, Jennifer Kelley, Mark D. Smith, Leroy Peterson, Hans Conrad Zur Loye Nov 2011

Diaquabis(5-Fluoro-2-Hydroxybenzoato-Κo1)Zinc(Ii), Diana Rishmawi, Jennifer Kelley, Mark D. Smith, Leroy Peterson, Hans Conrad Zur Loye

Hans Conrad zur Loye

The title compound, [Zn(C7H4FO3)2(H2O)2], is a monomeric ZnII complex. The ZnII atom, which lies on a twofold rotation axis, is situated in a distorted tetrahedral environment composed of two monodentate carboxlyate O atoms and two water O atoms. O-HO hydrogen bonds link these units, forming sheets that are stacked along the c axis.

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Di-Μ-Iodo-Bis[Diiodo(1,10-Phenanthroline)Bismuth(Iii)], M. Tershany, A. Goforth, M. Smith, L. Peterson, Hans Conrad Zur Loye Nov 2011

Di-Μ-Iodo-Bis[Diiodo(1,10-Phenanthroline)Bismuth(Iii)], M. Tershany, A. Goforth, M. Smith, L. Peterson, Hans Conrad Zur Loye

Hans Conrad zur Loye

The title bismuth-iodide compound, [Bi2I6(C12H8N2)2], has been synthesized solvothermally by reacting BiI3, Mn(CH3COO)2·4H2O, and 1,10-phenanthroline in an ethanol/water solvent mixture. The compound contains two bismuth centers that are each coordinated by a phenanthroline ligand and two terminal iodide ligands, and the bismuth centers are bridged via two additional iodide ligands to form a molecular dimer. The asymmetric unit of the compound consists of one half of a single dimer molecule located on a crystallographic inversion center.

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Tetraaquabis(3-Fluoropyridine-4-Carboxylato-Κn)Zinc(Ii) Dihydrate, Jonetha Fleming, Jennifer Kelley, Leroy Peterson, Mark Smith, Hans Conrad Zur Loye Nov 2011

Tetraaquabis(3-Fluoropyridine-4-Carboxylato-Κn)Zinc(Ii) Dihydrate, Jonetha Fleming, Jennifer Kelley, Leroy Peterson, Mark Smith, Hans Conrad Zur Loye

Hans Conrad zur Loye

In the title compound, [Zn(C6H3FNO2)2(H2O)4]·2H2O, the ZnII atom is octahedrally coordinated in a ZnO4N2 environment by two 3-fluoropyridine-4-carboxylate (3-fpy4-cbx) ligands and four water molecules. The [Zn(3-fpy4-cbx)2(H2O)4] molecules form a three-dimensional network through strong O-HO and weak O-HF hydrogen bonds between 3-fpy4-cbx and water molecules. The crystal used for data collection was a twin, with the twin law corresponding to a 180° rotation about the real-space [001] axis. The major twin fraction refined to 0.795 (1).

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Catena-Poly[[Diaquadinitratozinc(Ii)]Bis(Μ-1,4-Di-3-Pyridyl-2,3-Diaza-1,3-Butadiene)], Shakoya Paulin, Pierre Kelly, Kenneth Williams, Andrea Goforth, Mark Smith, Leroy Peterson, Hans Conrad Zur Loye Nov 2011

Catena-Poly[[Diaquadinitratozinc(Ii)]Bis(Μ-1,4-Di-3-Pyridyl-2,3-Diaza-1,3-Butadiene)], Shakoya Paulin, Pierre Kelly, Kenneth Williams, Andrea Goforth, Mark Smith, Leroy Peterson, Hans Conrad Zur Loye

Hans Conrad zur Loye

The polymeric title complex, [Zn(NO3)2(C24H20N8)(H2O)2]n, features distorted ZnN2O4 octahedra with each ZnII atom being located on an inversion center. Adjacent Zn ions are doubly bridged by two equivalent 1,4-di-3-pyridyl-2,3-diaza-1,3-butadiene ligands to form linear chains.

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Absence Of The Metal-Support Interaction For Ni/Tio2 Composites Prepared Using Ion-Exchange Techniques, Hans Conrad Zur Loye, Tanya Faltens, Angelica Stacy Nov 2011

Absence Of The Metal-Support Interaction For Ni/Tio2 Composites Prepared Using Ion-Exchange Techniques, Hans Conrad Zur Loye, Tanya Faltens, Angelica Stacy

Hans Conrad zur Loye

Many recent reports on the surface properties of transition-metalcatalysts dispersed on high surface area oxide supports have shown that the support can alter markedly the intrinsic activity of the metal. In particular, when group 8-10 metals are supported on reducible metal oxides, the surface chemistry and the electronic properties of the composite depend on the reduction temperature used for pretreatment. For example, the chemisorption of H2 at room temperature on metal-TiO2 composites decreases sharply as the reduction temperature used to prepare the catalyst is increased from 573 to 773 K. This change in surface chemistryhas been attributed to a strong …

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Novel Mixed-Valent (V/Vi) Triple Perovskite Ruthenates: Observation Of A Complex Low Temperature Structural And Magnetic Transition, Katherine Stitzer, Mark Smith, William Gemmill, Hans Conrad Zur Loye Nov 2011

Novel Mixed-Valent (V/Vi) Triple Perovskite Ruthenates: Observation Of A Complex Low Temperature Structural And Magnetic Transition, Katherine Stitzer, Mark Smith, William Gemmill, Hans Conrad Zur Loye

Hans Conrad zur Loye

Two new mixed-valent triple perovskites, Ba3MRu2O9 (M = Li, Na), were grown from reactive hydroxide fluxes. They crystallize in the hexagonal space group P63/mmc, where Ru(V) and Ru(VI) are disordered on only one crystallographic site. Upon cooling, single crystals of Ba3NaRu2O9 undergo a complex symmetry-breaking structural transition at ca. 225 K from room-temperature hexagonal symmetry to a low-temperature orthorhombic symmetry, space group Cmcm. Accompanying this structural transition is a rather abrupt decrease in the magnetic susceptibility at 210 K followed by a steady decrease in the susceptibility with decreasing temperature. Interestingly, the lithium analogue does not display any structural transition …

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Description Of Ba1 + XNiXRh1 - XO3 With X = 0.1170 (5) In Superspace: Modulated Composite Versus Modulated-Layer Structure, A. Schönleber, F. Zúñiga, J. Perez-Mato, J. Darriet, Hans Conrad Zur Loye Nov 2011

Description Of Ba1 + XNiXRh1 - XO3 With X = 0.1170 (5) In Superspace: Modulated Composite Versus Modulated-Layer Structure, A. Schönleber, F. Zúñiga, J. Perez-Mato, J. Darriet, Hans Conrad Zur Loye

Hans Conrad zur Loye

The structure of the compound Ba1 + xNixRh1 - xO3 [x = 0.1170 (5)] has been analyzed at room temperature within the (3 + 1)-dimensional superspace approach using single-crystal X-ray diffraction data. Two different models are presented, the compound is refined as modulated composite as well as modulated-layer structure. In both models discontinuous atomic domains are applied to describe the structural modulations. While the first approach stresses the pseudo-one-dimensional constitution, the latter highlights the layered character of these structures.

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Structure Determination Of Two New Incommensurate Compounds, Ba1+X[(CuXRh1-X)O3], With X = 0.1605 And X = 0.1695, Using A General Method Based On The Superspacegroup Approach, Mirvat Zakhour-Nakhl, John Claridge, Jacques Darriet, Francois Weill, Hans Conrad Zur Loye, Juan Perez-Mato Nov 2011

Structure Determination Of Two New Incommensurate Compounds, Ba1+X[(CuXRh1-X)O3], With X = 0.1605 And X = 0.1695, Using A General Method Based On The Superspacegroup Approach, Mirvat Zakhour-Nakhl, John Claridge, Jacques Darriet, Francois Weill, Hans Conrad Zur Loye, Juan Perez-Mato

Hans Conrad zur Loye

The single-crystal structures of two incommensurate compounds, Ba1+x[(CuxRh1-x)O3] with x = 0.1605 and x = 0.1695, were solved by a general method using the superspace group approach. A saw-tooth function was used to model both the occupational and displacive modulations. This approach requires very few refineable parameters and leads to low residuals, R = 0.0370 and R = 0.0330 for x = 0.1605 and x = 0.1695, respectively. The idealized structures of these two compounds consist of [(CuxRh1-x)O3]∞ chains containing groups of five face-shared (RhO6) octahedra separated by (CuO6) trigonal prisms. These chains in turn are separated from each other …

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Structure Of Indium Iron Oxide, Daniel Giaquinta, William Davis, Hans Conrad Zur Loye Nov 2011

Structure Of Indium Iron Oxide, Daniel Giaquinta, William Davis, Hans Conrad Zur Loye

Hans Conrad zur Loye

InFeO3 is isostructural with the recently reported InMnO3. The structure of InFeO3 contains layers of In-O octahedra and Fe-O trigonal bipyramids. The trigonal bipyramids have ideal D34 symmetry. This unusual structure is unexpected within the context of known sesquioxide structures.

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Catena-Poly[[Bis(Α-Thenoyltrifluoroacetonato-Κ2O,O')Copper(Ii)]-Μ-1,4-Di-3-Pyridyl-2,3-Diaza-1,3-Butadiene-Κ2N:N'], William J. Perkins, Tamar Maxwell, Ken B. Williams, Andrea M. Goforth, Mark D. Smith, Leroy Peterson Jr., Hans Conrad Zur Loye Nov 2011

Catena-Poly[[Bis(Α-Thenoyltrifluoroacetonato-Κ2O,O')Copper(Ii)]-Μ-1,4-Di-3-Pyridyl-2,3-Diaza-1,3-Butadiene-Κ2N:N'], William J. Perkins, Tamar Maxwell, Ken B. Williams, Andrea M. Goforth, Mark D. Smith, Leroy Peterson Jr., Hans Conrad Zur Loye

Hans Conrad zur Loye

The title compound, [Cu(C8H4F3O2S)2(C12H10N4)]n or [Cu(tta)2(L2)2]n (L2 = 1,4-di-3-pyridyl-2,3-diaza-1,3-butadiene and tta = -thenoyltrifluoroacetonate), consists of undulating chains containing two crystallographically distinct CuII centers that are each located on inversion centers. Each CuII center exhibits distorted octahedral coordination provided by two pyridyl N atoms from two equivalent L2 ligands and four O atoms from two equivalent tta ligands. The chains interact through weak C-FH-C contacts.

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Poly[Μ2-Nitrato-(Μ4-Pyrazine-2-Carboxylato)Disilver(I)], Kathryn Seward, Joseph Ellsworth, Zeeshan Khaliq, Hans Conrad Zur Loye Nov 2011

Poly[Μ2-Nitrato-(Μ4-Pyrazine-2-Carboxylato)Disilver(I)], Kathryn Seward, Joseph Ellsworth, Zeeshan Khaliq, Hans Conrad Zur Loye

Hans Conrad zur Loye

The title compound, [Ag2(C5H3N2O2)(NO3)]n, is a three-dimensional coordination polymer containing two-dimensional slabs held together by bridging nitrate groups. AgNO4 and AgNO5 silver coordination polyhedra arise. Weak argentophilic interactions [AgAg = 3.0686 (7) Å] occur in the crystal structure.

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Ac Susceptibility Of Sr3CuptXIr1-XO6: A Magnetic System With Competing Interactions And Dimensionality, S Irons, T Sangrey, K Beauchamp, M Smith, Hans Conrad Zur Loye Nov 2011

Ac Susceptibility Of Sr3CuptXIr1-XO6: A Magnetic System With Competing Interactions And Dimensionality, S Irons, T Sangrey, K Beauchamp, M Smith, Hans Conrad Zur Loye

Hans Conrad zur Loye

Sr3CuPtxIr1-xO6 has been cited as an example of a one-dimensional quantum spin chain with competing ferromagnetic and antiferromagnetic interactions. We have measured the ac susceptibility of Sr3CuPtxIr1-xO6 with x=0, 0.1, 0.2, 0.3, 0.4, 0.5, 0.6, and 0.7, in magnetic fields of 0–60 kOe, and at temperatures down to 0.275 K. Our data show that the x=endpoint Sr3CuIrO6, exhibits long-range ferromagnetic order at T=20.1 K, contrary to results from dc susceptibility studies which indicated that it remained a one-dimensional ferromagnet to below 4 K. When platinum is substituted for iridium, antiferromagnetic couplings are introduced, and the susceptibility shows a diminishing signature …

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“[Cu(Pyrazine-2-Carboxylate)2]2Cd4I8: Unprecedented 1-D Serpentine Chains And Regular 2-D Regular Metal-Organic Square Grids In A 3-D Framework., Delia Ciurtin, Mark Smith, Hans Conrad Zur Loye Nov 2011

“[Cu(Pyrazine-2-Carboxylate)2]2Cd4I8: Unprecedented 1-D Serpentine Chains And Regular 2-D Regular Metal-Organic Square Grids In A 3-D Framework., Delia Ciurtin, Mark Smith, Hans Conrad Zur Loye

Hans Conrad zur Loye

A novel three-dimensional coordination polymer containingan unprecedented one-dimensional serpentine motif conjoinedwith a two-dimensional square grid motif is presented.

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Poly[Diaqua(Μ4-3-Fluorophthalato-Κ4O:O:O':O'')Cadmium(Ii)], Diana Rishmawi, Katie Lewis, Mark Smith, Leroy Peterson, Hans Conrad Zur Loye Nov 2011

Poly[Diaqua(Μ4-3-Fluorophthalato-Κ4O:O:O':O'')Cadmium(Ii)], Diana Rishmawi, Katie Lewis, Mark Smith, Leroy Peterson, Hans Conrad Zur Loye

Hans Conrad zur Loye

The crystal structure of the title compound, [Cd(C8H3FO4)(H2O)2]n, consists of polymeric sheets formed by the bridging of octahedrally coordinated CdII by carboxylate O atoms of the 3-fluorophthalate (3-fpt2-) ligand. The layers exhibit hydrogen bonding between each of two coordinated water molecules and two O atoms of the ligand. Adjacent sheets are connected through - interactions.

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Crystal Growth, Structure Determination And Magnetism Of A New Hexagonal Rhodate: Ba9rh8o24, Katharine E. Stitzer, M. D. Smith, J. Darriet, Hans Conrad Zur Loye Nov 2011

Crystal Growth, Structure Determination And Magnetism Of A New Hexagonal Rhodate: Ba9rh8o24, Katharine E. Stitzer, M. D. Smith, J. Darriet, Hans Conrad Zur Loye

Hans Conrad zur Loye

Single crystals of Ba9Rh8O24, grown from a molten potassium carbonate flux, crystallize in the spacegroup R¯3c with lattice parameters of a = 10.0899(4) and c = 41.462(2) Å. Magnetic measurements on oriented single crystals reveal the existence of magnetic anisotropy

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Sr3Mgpto6, Mark Smith, Hans Conrad Zur Loye Nov 2011

Sr3Mgpto6, Mark Smith, Hans Conrad Zur Loye

Hans Conrad zur Loye

Single crystals of the mixed alkaline earth platinate, tristrontium magnesium platinum hexaoxide, Sr3MgPtO6, were grown from a KOH flux at 1273 K. The compound adopts the rhombohedral K4CdCl6 structure type, featuring chains of face-shared, distorted MgO6 trigonal prisms (Mg site symmetry 32) and PtO6 octahedra (Pt site symmetry ) surrounded by columns of Sr2+ ions (Sr site symmetry 2).

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Growth Of Sr6Rh5O15 Single Crystals From High Temperature Solutions: 1. Structure Determination Using The Traditional 3d And The 4d Superspace Group Methods. 2. Magnetic Measurements On Oriented Single Crystals, Katherine Stitzer, Ahmed Abed, Jacques Darriet, Hans Conrad Zur Loye Nov 2011

Growth Of Sr6Rh5O15 Single Crystals From High Temperature Solutions: 1. Structure Determination Using The Traditional 3d And The 4d Superspace Group Methods. 2. Magnetic Measurements On Oriented Single Crystals, Katherine Stitzer, Ahmed Abed, Jacques Darriet, Hans Conrad Zur Loye

Hans Conrad zur Loye

Single crystals of Sr6Rh5O15 were grown from a molten potassium carbonate flux. The structure was solved by both the traditional 3-D crystallographic approach and the 4-D superspace group approach using JANA2000. Both methods produced an equivalent structure determination, thereby confirming the 4-D superspace group approach as an effective structure solution method for 3-D commensurate composite structures. Sr6Rh5O15 corresponds to the n = 1, m = 1 member of the A3n+3mA‘nB3m+nO9m+6n family of 2H hexagonal …

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Poly[[(Μ-2,2'-Bipyrimidine-Κ4N1,N1':N3,N3')(Μ-Sulfato-Κ2O:O')Zinc(Ii)] Monohydrate], Aaron Oxendine, Jennifer Kelley, Leroy Peterson Jr., Mark D. Smith, Hans Conrad Zur Loye Nov 2011

Poly[[(Μ-2,2'-Bipyrimidine-Κ4N1,N1':N3,N3')(Μ-Sulfato-Κ2O:O')Zinc(Ii)] Monohydrate], Aaron Oxendine, Jennifer Kelley, Leroy Peterson Jr., Mark D. Smith, Hans Conrad Zur Loye

Hans Conrad zur Loye

In the title compound, {[Zn(SO4)(C8H6N4)]·H2O}n, the ZnII atom is in a distorted octahedral environment. The ZnII atoms are bridged by both 2,2'-bipyrimidine and sulfate ligands, thus forming a three-dimensional polymeric metal-organic solid that contains uncoordinated water molecules in the interstitial space. O-HO hydrogen bonding consolidates the crystal structure.

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Changes In The Electronic Structure Of Ni/TioX Composites As A Function Of Reduction Temperature, Hans Conrad Zur Loye, Angelica Stacy Nov 2011

Changes In The Electronic Structure Of Ni/TioX Composites As A Function Of Reduction Temperature, Hans Conrad Zur Loye, Angelica Stacy

Hans Conrad zur Loye

Transition-metal catalysts are dispersed on high surface area oxide supports in order to obtain a large catalytic activity per metal atom. Many supports, such as SiO2, and A1203, are considered to be inert; that is, these supports do not alter the intrinsic activity of the metal significantly but only serve to increase the surface area of the metal and prevent sintering. For some oxide supports, however, there is a strong interaction between the metal and the support. In particular, TiO2, can affect the activity of the supported metal depending on the conditions under which the metal-titanium dioxide composite is prepared. …

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Poly[(Nitrato-KO)Tris((Μ3-1h-1,2,4-Triazolato)Dizinc(Ii)]: A Three-Dimensional Coordination Polymer, Josephy Ellsworth, Mark Smith, Hans Conrad Zur Loye Nov 2011

Poly[(Nitrato-KO)Tris((Μ3-1h-1,2,4-Triazolato)Dizinc(Ii)]: A Three-Dimensional Coordination Polymer, Josephy Ellsworth, Mark Smith, Hans Conrad Zur Loye

Hans Conrad zur Loye

In the title compound, [Zn2(C2H2N3)3(NO3)], there are two unique Zn atoms, both with site symmetry m. One forms a ZnN3O tetrahedron and the other a ZnN6 octahedron. One and a half 1H-1,2,4-triazolate ligands, with the half-ligand located on a mirror plane, and a disordered nitrate anion complete the asymmetric unit of the structure. The polymeric connectivity is three-dimensional.

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Surface Chemistry Of Nickel Supported On TiNO2n-1, Hans Conrad Zur Loye, Tanya Faltens, Angelica Stacy Nov 2011

Surface Chemistry Of Nickel Supported On TiNO2n-1, Hans Conrad Zur Loye, Tanya Faltens, Angelica Stacy

Hans Conrad zur Loye

Small metal particles dispersed on inorganic oxides are among the most important heterogeneous catalysts. While the primary function of the oxide support is to increase the metal surface area, these supports can cause pronounced changes in the catalytic and chemisorption properties of the metal. In particular, metals supported on TiO2, have attracted attention due to the observation that activity and selectivity for Fischer-Tropsch synthesis can be altered, depending on the temperature a t which the metal Ti02 composite is reduced. Furthermore, H2 and CO chemisorption are suppressed for composites reduced at higher temperatures. In this paper, we show that the …

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Open Data, Open Source, And Open Standards In Chemistry: The Blue Obelisk Five Years On, Andrew Lang, Noel M. O'Boyle, Rajarshi Guha, Egon Willighagen, Samuel Adams, Jonathan Alvarsson, Jean-Claude Bradley, Igor Filippov, Robert M. Hanson, Marcus D. Hanwell, Geoffrey R. Hutchison, Craig A. James, Nina Jeliazkova, Karol M. Langner, David C. Lonie, Daniel M. Lowe, Jerome Pansanel, Dmitry Pavlov, Ola Spjuth, Christoph Steinbeck, Adam L. Tenderholt, Kevin J. Theisen, Peter Murray-Rust Oct 2011

Open Data, Open Source, And Open Standards In Chemistry: The Blue Obelisk Five Years On, Andrew Lang, Noel M. O'Boyle, Rajarshi Guha, Egon Willighagen, Samuel Adams, Jonathan Alvarsson, Jean-Claude Bradley, Igor Filippov, Robert M. Hanson, Marcus D. Hanwell, Geoffrey R. Hutchison, Craig A. James, Nina Jeliazkova, Karol M. Langner, David C. Lonie, Daniel M. Lowe, Jerome Pansanel, Dmitry Pavlov, Ola Spjuth, Christoph Steinbeck, Adam L. Tenderholt, Kevin J. Theisen, Peter Murray-Rust

College of Science and Engineering Faculty Research and Scholarship

Background: The Blue Obelisk movement was established in 2005 as a response to the lack of Open Data, Open Standards and Open Source (ODOSOS) in chemistry. It aims to make it easier to carry out chemistry research by promoting interoperability between chemistry software, encouraging cooperation between Open Source developers, and developing community resources and Open Standards. Results: This contribution looks back on the work carried out by the Blue Obelisk in the past 5 years and surveys progress and remaining challenges in the areas of Open Data, Open Standards, and Open Source in chemistry. Conclusions: We show that the Blue …

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The Regulation Of Skeletal Muscle Protein Turnover During The Progression Of Cancer Cachexia In The ApcMin/+ Mouse, James P. White, John W. Baynes, Stephen L. Welle, Matthew C. Kostek, Lydia E. Matesic, Shuichi Sato, James A. Carson Sep 2011

The Regulation Of Skeletal Muscle Protein Turnover During The Progression Of Cancer Cachexia In The ApcMin/+ Mouse, James P. White, John W. Baynes, Stephen L. Welle, Matthew C. Kostek, Lydia E. Matesic, Shuichi Sato, James A. Carson

Faculty Publications

Muscle wasting that occurs with cancer cachexia is caused by an imbalance in the rates of muscle protein synthesis and degradation. The Apc(Min/+) mouse is a model of colorectal cancer that develops cachexia that is dependent on circulating IL-6. However, the IL-6 regulation of muscle protein turnover during the initiation and progression of cachexia in the Apc(Min/+) mouse is not known. Cachexia progression was studied in Apc(Min/+) mice that were either weight stable (WS) or had initial (≤5%), intermediate (6-19%), or extreme (≥20%) body weight loss. The initiation of cachexia reduced %MPS 19% and a further ∼50% with additional weight …

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Cucurbit[8]Uril Rotaxanes, Vijayakumar Ramalingam, Adam R. Urbach Sep 2011

Cucurbit[8]Uril Rotaxanes, Vijayakumar Ramalingam, Adam R. Urbach

Chemistry Faculty Research

The synthesis of [2]rotaxanes, each comprising a viologen core threaded through a cucurbit[8]uril (Q8, Figure 1) macrocycle and stoppered by tetraphenylmethane groups, and their binding to second guests as inclusion complexes in organic and aqueous media are described. Stoppering was observed to have little effect on binding. Chemical modification of the threaded guest was used to control solubility and binding characteristics, thus demonstrating a novel approach to making artificial receptors with readily modifiable properties.

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Chemical Education Experiences From The English Language Learner Perspective, Annette Flores Aug 2011

Chemical Education Experiences From The English Language Learner Perspective, Annette Flores

Theses and Dissertations - UTB/UTPA

The Rio Grande Valley (RGV) is a region populated by Spanish-speaking immigrants and their descendants producing a large English Language Learner (ELL) student population. ELLs have historically had low literacy rates and achievement levels when compared to their counterparts. In order to address this achievement gap, previous research efforts and curriculum interventions have focused on language acquisition as being the determining factor in ELL education, with little attention given to academic content acquisition. More current research efforts have transitioned into English language acquisition through academic content instruction; this present research study specifically focuses on ELL experiences in chemistry. Participants were …

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Creation Of Post Ap Chemistry Class, Julian Medrano Aug 2011

Creation Of Post Ap Chemistry Class, Julian Medrano

Theses and Dissertations - UTB/UTPA

The creation of a Post AP Chemistry Class to be taught at the high school level for grade 12 students is discussed. The class is to be taught under the supervision of the University of Texas Pan American professors and taught by an MS Chemistry teacher, in order to better transition students into upper level chemistry courses beyond Chemistry 1401 and 1402.

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