Direct Bandgap Group IV Materials

Science.gov (United States)

2016-01-21

AFRL-AFOSR-JP-TR-2017-0049 Direct Bandgap group IV Materials Hung Hsiang Cheng NATIONAL TAIWAN UNIVERSITY Final Report 01/21/2016 DISTRIBUTION A...NAME(S) AND ADDRESS(ES) NATIONAL TAIWAN UNIVERSITY 1 ROOSEVELT RD. SEC. 4 TAIPEI CITY, 10617 TW 8. PERFORMING ORGANIZATION REPORT NUMBER 9. SPONSORING...14. ABSTRACT Direct bandgap group IV materials have been long sought for in both academia and industry for the implementation of photonic devices

New Route to Synthesize Surface Organometallic Complexes (SOMC): An Approach by Alkylating Halogenated Surface Organometallic Fragments

KAUST Repository

Hamieh, Ali Imad Ali

2017-01-01

The aim of this thesis is to explore new simpler and efficient routes for the preparation of surface organometallic complexes (SOMC) for the transformation of small organic molecules to valuable products. The key element in this new route relies on surface alkylation of various halogenated surface coordination complexes or organometallic fragments (SOMF).

New Route to Synthesize Surface Organometallic Complexes (SOMC): An Approach by Alkylating Halogenated Surface Organometallic Fragments

KAUST Repository

Hamieh, Ali Imad

2017-02-01

The aim of this thesis is to explore new simpler and efficient routes for the preparation of surface organometallic complexes (SOMC) for the transformation of small organic molecules to valuable products. The key element in this new route relies on surface alkylation of various halogenated surface coordination complexes or organometallic fragments (SOMF).

Chemoselective Hydrogenation with Supported Organoplatinum(IV) Catalyst on Zn(II)-Modified Silica

Energy Technology Data Exchange (ETDEWEB)

Camacho-Bunquin, Jeffrey [Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 S Cass Avenue, Lemont, Illinois 60439, United States; Ferrandon, Magali [Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 S Cass Avenue, Lemont, Illinois 60439, United States; Sohn, Hyuntae [Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 S Cass Avenue, Lemont, Illinois 60439, United States; Yang, Dali [Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 S Cass Avenue, Lemont, Illinois 60439, United States; Liu, Cong [Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 S Cass Avenue, Lemont, Illinois 60439, United States; Ignacio-de Leon, Patricia Anne [Energy Sciences Division, Argonne National Laboratory, 9700 S Cass Avenue, Lemont, Illinois 60439, United States; Perras, Frédéric A. [Ames Laboratory, U.S. Department of Energy, Ames, Iowa 50010, United States; Pruski, Marek [Ames Laboratory, U.S. Department of Energy, Ames, Iowa 50010, United States; Department of Chemistry, Iowa State University, 2416 Pammel Drive, Ames, Iowa 50011, United States; Stair, Peter C. [Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 S Cass Avenue, Lemont, Illinois 60439, United States; Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208, United States; Delferro, Massimiliano [Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 S Cass Avenue, Lemont, Illinois 60439, United States

2018-02-22

Well-defined organoplatinum(IV) sites were grafted on a Zn(II)-modified SiO2 support via surface organometallic chemistry in toluene at room temperature. Solid-state spectroscopies including XAS, DRIFTS, DRUV-Vis, and solid-state (SS)NMR enhanced by dynamic nuclear polarization (DNP), as well as TPR-H2 and TEM techniques revealed highly dispersed (methylcyclopentadi-enyl)methylplatinum(IV) sites on the surface ((MeCp)PtMe/Zn/SiO2, 1). In addition, computational modelling suggests that the surface reaction of (MeCp)PtMe3 with Zn(II)-modified SiO2 support is thermodynamically favorable (ΔG = -12.4 kcal/mol), likely due to the increased acidity of the hydroxyl group, as confirmed by NH3-TPD and DNP-enhanced 17O{1H} SSNMR. In situ DRIFTS and XAS hydrogenation experiments reveal the formation of a surface Pt(IV)-H upon hydrogenolysis of Pt-Me groups. The heterogenized organoplatinum(IV)-H sites catalyze the selective partial hydrogenation of 1,3-butadiene to butenes (up to 95%) and the reduction of nitrobenzene derivatives to anilines (up to 100%) with excellent tolerance of reduction-sensitive func-tional groups (olefin, carbonyl, nitrile, halogens) under mild reaction conditions.

Local structure of Iridium organometallic catalysts covalently bonded to carbon nanotubes.

Science.gov (United States)

Blasco, J.; Cuartero, V.; Subías, G.; Jiménez, M. V.; Pérez-Torrente, J. J.; Oro, L. A.; Blanco, M.; Álvarez, P.; Blanco, C.; Menéndez, R.

2016-05-01

Hybrid catalysts based on Iridium N-heterocyclic carbenes anchored to carbon nanotubes (CNT) have been studied by XAFS spectroscopy. Oxidation of CNT yields a large amount of functional groups, mainly hydroxyl groups at the walls and carboxylic groups at the tips, defects and edges. Different kinds of esterification reactions were performed to functionalize oxidized CNT with imidazolium salts. Then, the resulting products were reacted with an Ir organometallic compound to form hybrid catalysts efficient in hydrogen transfer processes. XANES spectroscopy agree with the presence of Ir(I) in these catalysts and the EXAFS spectra detected differences in the local structure of Ir atoms between the initial Ir organometallic compound and the Ir complexes anchored to the CNT. Our results confirm that the halide atom, present in the Ir precursor, was replaced by oxygen from -OH groups at the CNT wall in the first coordination shell of Ir. The lability of this group accounts for the good recyclability and the good efficiency shown by these hybrid catalysts.

A computational glance at organometallic cyclizations and coupling reactions

OpenAIRE

Fiser, Béla

2016-01-01

210 p. Organometallic chemistry is one of the main research topics in chemical science.Nowadays, organometallic reactions are the subject of intensive theoretical investigations.However, in many cases, only joint experimental and theoretical effortscould reveal the answers what we are looking for.The fruits of such experimental and theoretical co-operations will be presentedhere. In this work, we are going to deal with homogeneous organometallic catalysisusing computational chemical tools....

Modules for Introducing Organometallic Reactions: A Bridge between Organic and Inorganic Chemistry

Science.gov (United States)

Schaller, Chris P.; Graham, Kate J.; Johnson, Brian J.

2015-01-01

Transition metal organometallic reactions have become increasingly important in the synthesis of organic molecules. A new approach has been developed to introduce organometallic chemistry, along with organic and inorganic chemistry, at the foundational level. This change highlights applications of organometallic chemistry that have dramatically…

Hydrotelluration of alkynes: a unique route to Z-vinyl organometallics

Directory of Open Access Journals (Sweden)

Vieira Maurício L.

2001-01-01

Full Text Available The hydrotelluration reaction of alkynes is reviewed. The transformation of vinylic tellurides into reactive vinyl organometallics and the coupling reactions of vinylic tellurides with alkynes and organometallics are presented.

Supramolecular Dendriphores: Anionic Organometallic Phosphors Embedded in Polycationic Dendritic Species

NARCIS (Netherlands)

McDonald, A.R.; Mores, D.; de Mello-Donega, C.; van Walree, C.A.; Klein Gebbink, R.J.M.; Lutz, M.; Spek, A.L.; Meijerink, A.; van Klink, G.P.M.; van Koten, G.

2009-01-01

Heteroleptic iridium(III) organometallic complexes have been functionalized with sulfate tethers. These systems have been thoroughly characterized spectroscopically. Subsequently these iridium(III) complexes were reacted with polyionic dendritic materials yielding iridium(III) organometallic

Automated building of organometallic complexes from 3D fragments.

Science.gov (United States)

Foscato, Marco; Venkatraman, Vishwesh; Occhipinti, Giovanni; Alsberg, Bjørn K; Jensen, Vidar R

2014-07-28

A method for the automated construction of three-dimensional (3D) molecular models of organometallic species in design studies is described. Molecular structure fragments derived from crystallographic structures and accurate molecular-level calculations are used as 3D building blocks in the construction of multiple molecular models of analogous compounds. The method allows for precise control of stereochemistry and geometrical features that may otherwise be very challenging, or even impossible, to achieve with commonly available generators of 3D chemical structures. The new method was tested in the construction of three sets of active or metastable organometallic species of catalytic reactions in the homogeneous phase. The performance of the method was compared with those of commonly available methods for automated generation of 3D models, demonstrating higher accuracy of the prepared 3D models in general, and, in particular, a much wider range with respect to the kind of chemical structures that can be built automatically, with capabilities far beyond standard organic and main-group chemistry.

New labeling methods via organometallic species: new synthesis of a chiral methyl group

International Nuclear Information System (INIS)

Faucher, Nicolas

2000-01-01

Chapter 1: New labeling methods via organometallic species. In the first part of this work, we have developed a new labeling strategy based on the hydrogenolysis of organolithium compounds with tritium gas or deuterium gas. This reaction is catalyzed with palladium on charcoal and leads to the labelled compounds with direct replacement of the proton by its isotopes ("2H or "3H) without further chemical modification of the target molecule. Using this strategy, tritium or deuterium atoms can be introduced in a region but also in a stereoselective fashion with more than 90% ee. The former result was obtained using (-)-sparteine during the lithiation step. Chapter II: New synthesis of a chiral methyl group. In the second part of this work, we have developed a new synthetic method to prepare chiral ditosyl-methylamine using 4,5-disubstituted oxazolidines. Dia-stereoselective substitution of the methoxy group of a 2-alkoxy-oxazolidine by a deuteride in the presence of a Lewis acid leads to the 2-deutero-oxazolidine in a highly stereoselective fashion (de = 100%). Still using a lewis acid, a tritiated hydride open the former 2-deutero-oxazolidine to afford chiral methyl group borne by the nitrogen. Further de-protection and re-protection steps lead to the ditosyl-methylamine with an ee of 65% (RIS= 83/17). Nowadays, this is the best known synthetic method, not only in terms of enantioselectivity but also in terms of chemical yield and number of radioactive steps. As NTs_2 is a fairly good leaving group, the ditosyl-methylamine offers the possibility of introducing chiral methyl group in many substrates using a S_N2 reaction with various nucleophiles. This last point leads to many potential applications in the field of biochemistry or for mechanical studies. (author) [fr

Organometallic vapor-phase epitaxy theory and practice

CERN Document Server

Stringfellow, Gerald B

1989-01-01

Here is one of the first single-author treatments of organometallic vapor-phase epitaxy (OMVPE)--a leading technique for the fabrication of semiconductor materials and devices. Also included are metal-organic molecular-beam epitaxy (MOMBE) and chemical-beam epitaxy (CBE) ultra-high-vacuum deposition techniques using organometallic source molecules. Of interest to researchers, students, and people in the semiconductor industry, this book provides a basic foundation for understanding the technique and the application of OMVPE for the growth of both III-V and II-VI semiconductor materials and the

Solutions of group IV elements in liquid lithium

International Nuclear Information System (INIS)

Dadd, A.T.; Hubberstey, P.; Roberts, P.G.

1982-01-01

The solubilities of tin (0.00 = 22 Sn 5 . A simple thermochemical cycle is used to demonstrate that, whereas carbon dissolves endothermically in both liquid lithium and liquid sodium, the heavier Group IV elements dissolve exothermically. A similar cycle is used to derive solvation enthalpies (for the neutral gaseous species) for all Group IV elements in the two solvents. The trend in solvation enthalpy: C > Si > Ge > Sn > Pb is indicative of a diminishing affinity of solvent for solute and is attributed to the increasing metallic character of the solute as the Group is descended. (author)

Organometallic and Bioorganometallic Chemistry - Ferrocene and Metal Carbonyls

Directory of Open Access Journals (Sweden)

Čakić Semenčić, M.

2011-02-01

Full Text Available Organometallic chemistry deals with compounds containing metal-carbon bonds. Basic organometallics derived from the s- and p-block metals (containing solely σ-bonds were understood earlier, while organometallic chemistry of the d- and f-block has developed much more recently. These compounds are characterized by three types of M-C bonds (σ, π and δand their structures are impossible to deduce by chemical means alone; fundamental advances had to await the development of X-ray diffraction, as well as IR- and NMR-spectroscopy. On the other hand, elucidation of the structure of e. g. vitamin B12 and ferrocene (discovered in 1951 contributed to progress in these instrumental analytical methods, influencing further phenomenal success of transition-metal organometallic chemistry in the second half of the twentieth century. The most thoroughly explored fields of application of organometallics were in the area of catalysis, asymmetric synthesis, olefin metathesis, as well as organic synthesis and access to new materials and polymers.The most usual ligands bound to d- and f-metals are carbon monoxide, phosphines, alkyls, carbenes and arenes, and in this review the bonding patterns in the metal carbonyls and ferrocene are elaborated. The common characteristics of these two classes are two-component bonds. The CO-M bonds include (i donation from ligand HOMO to vacant M d-orbitals (σ-bond, and (ii back-donation from the filled M d-orbitals in the ligand LUMO (π-bond. Similar (but much more complicated ferrocene contains delocalized bonds consisting of electron donation from Cp to Fe (σ-bonds- and π-bonding and δ-back-bonding from metal to Cp. In such a way ferrocene, i. e. (η5-Cp2Fe contains 18 bonding electrons giving to this compound "superaromatic" properties in the sense of stability and electrophilic substitution. In contrast to benzenoid aromatic compounds reactions in two Cp-rings can occur giving homo- and heteroannularly mono-, two-… per

Organometallic Chemistry. Final Progress Report

Energy Technology Data Exchange (ETDEWEB)

Wolczanski, Peter [Cornell Univ., Ithaca, NY (United States)

2003-07-14

The Gordon Research Conference (GRC) on Organometallic Chemistry was held at Salve Regina, Newport, Rhode Island, 7/21-26/02. Emphasis was placed on current unpublished research and discussion of the future target areas in this field.

Solar cells, structures including organometallic halide perovskite monocrystalline films, and methods of preparation thereof

KAUST Repository

Bakr, Osman M.

2017-03-02

Embodiments of the present disclosure provide for solar cells including an organometallic halide perovskite monocrystalline film (see fig. 1.1B), other devices including the organometallic halide perovskite monocrystalline film, methods of making organometallic halide perovskite monocrystalline film, and the like.

Organometallic chemistry of metal surfaces

International Nuclear Information System (INIS)

Muetterties, E.L.

1981-06-01

The organometallic chemistry of metal surfaces is defined as a function of surface crystallography and of surface composition for a set of cyclic hydrocarbons that include benzene, toluene, cyclohexadienes, cyclohexene, cyclohexane, cyclooctatetraene, cyclooctadienes, cyclooctadiene, cycloheptatriene and cyclobutane. 12 figures

Hydrodeoxygenation of O-containing polycyclic model compounds using a novel organometallic catalyst-precursor

Energy Technology Data Exchange (ETDEWEB)

Kirby, S.R.; Song, C.S.; Schobert, H.H. [Pennsylvania State University, University Park, PA (United States). Dept. of Materials Science and Engineering

1996-09-05

Compounds containing oxygen functional groups, especially phenols, are undesirable components of coal-derived liquids. Removal of these compounds from the products of coal liquefaction is required. A beneficial alternative would be the removal of these compounds, or the prevention of their formation, during the liquefaction reaction itself, rather than as a separate processing step. A novel organometallic catalyst precursor containing Co and Mo has been studied as a potential hydrogenation catalyst for coal liquefaction. To ascertain the hydrodeoxygenation activity of this catalyst under liquefaction conditions, model compounds were investigated. Anthrone, 2,6-di-r-btuyl-4-methyl-phenol, dinaphthyl ether and xanthene were reacted in the presence of the Co-Mo catalyst precursor and a precursor containing only Mo over a range of temperatures, providing a comparison of conversions to deoxygenated products. These conversions give an indication of the hydrodeoxygenating abilities of organometallic catalyst precursors within a coal liquefaction system. For example, at 400{degree}C dinaphthyl ether was converted 100% (4.5% O-containing products) in the presence of the Co-Mo organometallic precursor, compared to 76.5% conversion (7.4% O-products) in the presence of the Mo catalyst.

Organometallic B12-DNA conjugate

DEFF Research Database (Denmark)

Hunger, Miriam; Mutti, Elena; Rieder, Alexander

2014-01-01

Design, synthesis, and structural characterization of a B12-octadecanucleotide are presented herein, a new organometallic B12-DNA conjugate. In such covalent conjugates, the natural B12 moiety may be a versatile vector for controlled in vivo delivery of oligonucleotides to cellular targets in hum...

Organometallic chemistry of bimetallic compounds. Progress report, January 1992--July 1995

International Nuclear Information System (INIS)

Casey, C.P.

1994-07-01

Four main projects at the interface between organometallic chemistry and homogeneous catalysis were pursued. All were designed to give increased understanding of the mechanisms of organometallic reactions related to homogeneous and heterogeneous catalysis. In addition, a minor study involving η 5 -to η 1 -cyclopentadienyl ring slippage in catalysis was completed

Organometallic halide perovskite single crystals having low deffect density and methods of preparation thereof

KAUST Repository

Bakr, Osman; Shi, Dong

2016-01-01

The present disclosure presents a method of making a single crystal organometallic halide perovskites, with the formula: AMX3, wherein A is an organic cation, M is selected from the group consisting of: Pb, Sn, Cu, Ni, Co, Fe, Mn, Pd, Cd, Ge, and Eu

Organometallic chemistry of bimetallic compounds. Progress report, January 1992--July 1995

Energy Technology Data Exchange (ETDEWEB)

Casey, C.P.

1994-07-01

Four main projects at the interface between organometallic chemistry and homogeneous catalysis were pursued. All were designed to give increased understanding of the mechanisms of organometallic reactions related to homogeneous and heterogeneous catalysis. In addition, a minor study involving {eta}{sup 5}-to {eta}{sup 1}-cyclopentadienyl ring slippage in catalysis was completed.

Solar cells, structures including organometallic halide perovskite monocrystalline films, and methods of preparation thereof

KAUST Repository

Bakr, Osman; Peng, Wei; Wang, Lingfei

2017-01-01

Embodiments of the present disclosure provide for solar cells including an organometallic halide perovskite monocrystalline film (see fig. 1.1B), other devices including the organometallic halide perovskite monocrystalline film, methods of making

View from... Group IV Photonics: Industry meets academia

Science.gov (United States)

Pile, David

2012-12-01

Silicon photonics and devices based on group IV elements are overcoming the tough economic downturns that have rocked industry over the past 12 years. Cross fertilization between academia and industry may lead to new devices that are both innovative and profitable.

DNA-based asymmetric organometallic catalysis in water

NARCIS (Netherlands)

Oelerich, Jens; Roelfes, Gerard

2013-01-01

Here, the first examples of DNA-based organometallic catalysis in water that give rise to high enantioselectivities are described. Copper complexes of strongly intercalating ligands were found to enable the asymmetric intramolecular cyclopropanation of alpha-diazo-beta-keto sulfones in water. Up to

Report on generation IV technical working group 3 : liquid metal reactors

International Nuclear Information System (INIS)

Lineberry, M. J.; Rosen, S. L.; Sagayama, Y.

2002-01-01

This paper reports on the first round of R and D roadmap activities of the Generation IV (Gen IV) Technical Working Group (TWG) 3, on liquid metal-cooled reactors. Liquid metal coolants give rise to fast spectrum systems, and thus the reactor systems considered in this TWG are all fast reactors. Gas-cooled fast reactors are considered in the context of TWG 2. As is noted in other Gen IV papers, this first round activity is termed ''screening for potential'', and includes collecting the most complete set of liquid metal reactor/fuel cycle system concepts possible and evaluating the concepts against the Gen IV principles and goals. Those concepts or concept groups that meet the Gen IV principles and which are deemed to have reasonable potential to meet the Gen IV goals will pass to the next round of evaluation. Although we sometimes use the terms ''reactor'' or ''reactor system'' by themselves, the scope of the investigation by TWG 3 includes not only the reactor systems, but very importantly the closed fuel recycle system inevitably required by fast reactors. The response to the DOE Request for Information (RFI) on liquid metal reactor/fuel cycle systems from principal investigators, laboratories, corporations, and other institutions, was robust and gratifying. Thirty three liquid metal concept descriptions, from eight different countries, were ultimately received. The variation in the scope, depth, and completeness of the responses created a significant challenge for the group, but the TWG made a very significant effort not to screen out concepts early in the process

Ligand Rearrangements of Organometallic Complexes inSolution

Energy Technology Data Exchange (ETDEWEB)

Shanoski, Jennifer E. [Univ. of California, Berkeley, CA (United States)

2006-01-01

Many chemical reactions utilize organometallic complexes as catalysts. These complexes find use in reactions as varied as bond activation, polymerization, and isomerization. This thesis outlines the construction of a new ultrafast laser system with an emphasis on the generation of tunable mid-infrared pulses, data collection, and data analysis.

77 FR 16508 - National Emission Standards for Hazardous Air Pollutant Emissions: Group IV Polymers and Resins...

Science.gov (United States)

2012-03-21

... National Emission Standards for Hazardous Air Pollutant Emissions: Group IV Polymers and Resins; Pesticide... Hazardous Air Pollutant Emissions: Group IV Polymers and Resins; National Emission Standards for Hazardous... proposed rule titled, National Emission Standards for Hazardous Air Pollutant Emissions: Group IV Polymers...

Theoretical study of the structure and reactivity of lanthanide and actinide based organometallic complexes

International Nuclear Information System (INIS)

Barros, N.

2007-06-01

In this PhD thesis, lanthanide and actinide based organometallic complexes are studied using quantum chemistry methods. In a first part, the catalytic properties of organo-lanthanide compounds are evaluated by studying two types of reactions: the catalytic hydro-functionalization of olefins and the polymerisation of polar monomers. The reaction mechanisms are theoretically determined and validated, and the influence of possible secondary non productive reactions is envisaged. A second part focuses on uranium-based complexes. Firstly, the electronic structure of uranium metallocenes is analysed. An analogy with the uranyl compounds is proposed. In a second chapter, two isoelectronic complexes of uranium IV are studied. After validating the use of DFT methods for describing the electronic structure and the reactivity of these compounds, it is shown that their reactivity difference can be related to a different nature of chemical bonding in these complexes. (author)

Coordination phenomena of cationic uranium(iv) complexes

International Nuclear Information System (INIS)

Rohwer, H.E.

1974-12-01

The coordination properties of the cationic uranium(IV) complexes UCl 3 + , UCl 2 2+ , UCl 3+ , and U 4+ were studied in a non-aqueous medium in the presence of perchlorate as counterion which, however, proved to coordinate to a much greater extent than expected. The strong neutral ligand, HMPA, could successively displace some of the perchlorates. An electrostatic model for the U(CIO 4 ) 4 -HMPA-acetone system compared favourably with the actual results. This emphasized the high ionic content in the bonding with actenoid cations, even with such a high charge as +4 . These conclusions are in agreement with studies 75 in which nitrate acts as counter ion. Correspondingly the uranium (IV) chemistry is characterized by the absence of typical 3d-organometallic chemistry, for example, strong bonding with CO, P(Phi) 3 etc, which strongly depends on covalent bonding. This stresses the fact that the d and f orbitals are not readily available for strong bond formation with the actenoids. 76

3D continuum phonon model for group-IV 2D materials

DEFF Research Database (Denmark)

Willatzen, Morten; Lew Yan Voon, Lok C.; Gandi, Appala Naidu

2017-01-01

. In this paper, we use the model to not only compare the phonon spectra among the group-IV materials but also to study whether these phonons differ from those of a compound material such as molybdenum disulfide. The origin of quadratic modes is clarified. Mode coupling for both graphene and silicene is obtained......, contrary to previous works. Our model allows us to predict the existence of confined optical phonon modes for the group-IV materials but not for molybdenum disulfide. A comparison of the long-wavelength modes to density-functional results is included....

New twists and turns for actinide chemistry. Organometallic infinite coordination polymers of thorium diazide

Energy Technology Data Exchange (ETDEWEB)

Monreal, Marisa J.; Seaman, Lani A.; Goff, George S.; Michalczyk, Ryszard; Morris, David E.; Scott, Brian L.; Kiplinger, Jaqueline L. [Los Alamos National Laboratory, Los Alamos, NM (United States)

2016-03-07

Two organometallic 1D infinite coordination polymers and two organometallic monometallic complexes of thorium diazide have been synthesized and characterized. Steric control of these self-assembled arrays, which are dense in thorium and nitrogen, has also been demonstrated: infinite chains can be circumvented by using steric bulk either at the metallocene or with a donor ligand in the wedge.

Enthalpies of vaporization of organometallic compounds

International Nuclear Information System (INIS)

Kuznetsov, N.T.; Sevast'yanov, V.G.; Mitin, V.A.; Krasnodubskaya, S.V.; Zakharov, L.N.; Domrachev, G.A.; AN SSSR, Gor'kij. Inst. Khimii)

1987-01-01

A possibility to use the method of additive schemes for the calculation of vaporizaton enthalpies of uranium organometallic compounds is discussed while comparing the values obtained using the method with experimental data. The possibility of apriori evaluation of evaporation enthalpy values of different uranium compounds using the method of additive schemes and structural characteristics of molecules, such as the sum of ligand solid angles, is shown

Homogeneous photocatalytic reactions with organometallic and coordination compounds--perspectives for sustainable chemistry.

Science.gov (United States)

Hoffmann, Norbert

2012-02-13

Since the time of Giacomo Ciamician at the beginning of the 20th century, photochemical transformations have been recognized as contributing to sustainable chemistry. Electronic excitation significantly changes the reactivity of chemical compounds. Thus, the application of activation reagents is frequently avoided and transformations can be performed under mild conditions. Catalysis plays a central role in sustainable chemistry. Stoichiometric amounts of activation reagents are often avoided. This fact and the milder catalytic reaction conditions diminish the formation of byproducts. In the case of homogeneous catalysis, organometallic compounds are often applied. The combination of both techniques develops synergistic effects in the sense of "Green Chemistry". Herein, metal carbonyl-mediated reactions are reported. These transformations are of considerable interest for the synthesis of complex polyfunctionalized compounds. Copper(I)-catalyzed [2+2] photocycloaddition gives access to a large variety of cyclobutane derivatives. Currently, a large number of publications deal with photochemical electron-transfer-induced reactions with organometallic and coordination compounds, particularly with ruthenium complexes. Several photochemically induced oxidations can easily be performed with air or molecular oxygen when they are catalyzed with organometallic complexes. Photochemical reaction conditions also play a certain role in C-H activation with organometallic catalysts, for instance, with alkanes, although such transformations are conveniently performed with a variety of other photochemical reactions. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Synthesis and Properties of Group IV Graphane Analogues

Science.gov (United States)

Goldberger, Joshua

Similar to how carbon networks can be sculpted into low-dimensional allotropes such as fullerenes, nanotubes, and graphene with fundamentally different properties, it is possible to create similar ligand terminated sp3-hybridized honeycomb graphane derivatives containing Ge or Sn that feature unique and tunable properties. Here, we will describe our recent success in the creation of hydrogen and organic-terminated group IV graphane analogues, from the topochemical deintercalation of precursor Zintl phases, such as CaGe2. We will discuss how the optical, electronic, and thermal properties of these materials can be systematically controlled by substituting either the surface ligand or via alloying with other Group IV elements. Additionally, we have also developed an epitopotaxial approach for integrating precise thicknesses of germanane layers onto Ge wafers that combines the epitaxial deposition of CaGe2 precursor phases with the topotactic interconversion into the 2D material. Finally, we will describe our recent efforts on the synthesis and crystal structures of Sn-containing graphane alloys in order to access novel topological phenomena predicted to occur in these graphanes.

Organometallics Roundtable 2011

Energy Technology Data Exchange (ETDEWEB)

Gladysz, John A.; Ball, Zachary T.; Bertrand, Guy; Blum, Suzanne A.; Dong, Vy M.; Dorta, Reto; Hahn, F. Ekkehardt; Humphrey, Mark; Jones, William D.; Klosin, Jerzy; Manners, Ian; Marks, Tobin J.; Mayer, James M.; Rieger, Bernhard; Ritter, Joachim C.; Sattelberger, Alfred P.; Schomaker, Jennifer M.; Wing-Wah Yam, Vivian

2012-01-09

We are living in an era of unprecedented change in academic, industrial, and government-based research worldwide, and navigating these rough waters requires "all hands on deck". Toward this end, Organometallics has assembled a panel of seventeen experts who share their thoughts on a variety of matters of importance to our field. In constituting this panel, an attempt was made to secure representation from a number of countries and career stages, as well as from industry. We were fortunate that so many busy experts could take the time to spend with us. The following pages constitute an edited transcript of the panel discussion held on August 29, 2011, which was structured around the 10 questions summarized in the side bar and repeated below.

CORROSION RESISTANCE OF ORGANOMETALLIC COATING APLICATED IN FUEL TANKS USING ELECTROCHEMICAL IMPEDANCE SPECTROSCOPY IN BIOFUEL – PART I

Directory of Open Access Journals (Sweden)

Milene Adriane Luciano

2014-10-01

Full Text Available Nowadays, the industry has opted for more sustainable production processes, and the planet has also opted for new energy sources. From this perspective, automotive tanks with organometallic coatings as well as a partial substitution of fossil fuels by biofuels have been developed. These organometallic coated tanks have a zinc layer, deposited by a galvanizing process, formed between the steel and the organometallic coating. This work aims to characterize the organometallic coating used in metal automotive tanks and evaluate their corrosion resistance in contact with hydrated ethyl alcohol fuel (AEHC. For this purpose, the resistance of all layers formed between Zinc and EEP steel and also the tin coated steel, which has been used for over thirty years, were evaluated. The technique chosen was the Electrochemical Impedance Spectroscopy. The results indicated an increase on the corrosion resistance when organometallic coatings are used in AEHC medium. In addition to that, these coatings allow an estimated 25% reduction in tanks production costs.

Two-Photon Absorption in Organometallic Bromide Perovskites

KAUST Repository

Walters, Grant

2015-07-21

Organometallic trihalide perovskites are solution processed semiconductors that have made great strides in third generation thin film light harvesting and light emitting optoelectronic devices. Recently it has been demonstrated that large, high purity single crystals of these perovskites can be synthesized from the solution phase. These crystals’ large dimensions, clean bandgap, and solid-state order, have provided us with a suitable medium to observe and quantify two-photon absorption in perovskites. When CH3NH3PbBr3 single crystals are pumped with intense 800 nm light, we observe band-to-band photoluminescence at 572 nm, indicative of two-photon absorption. We report the nonlinear absorption coefficient of CH3NH3PbBr3 perovskites to be 8.6 cm GW-1 at 800 nm, comparable to epitaxial single crystal semiconductors of similar bandgap. We have leveraged this nonlinear process to electrically autocorrelate a 100 fs pulsed laser using a two-photon perovskite photodetector. This work demonstrates the viability of organometallic trihalide perovskites as a convenient and low-cost nonlinear absorber for applications in ultrafast photonics.

Two-Photon Absorption in Organometallic Bromide Perovskites

KAUST Repository

Walters, Grant; Sutherland, Brandon R; Hoogland, Sjoerd; Shi, Dong; Comin, Riccardo; Sellan, Daniel P.; Bakr, Osman; Sargent, Edward H.

2015-01-01

Organometallic trihalide perovskites are solution processed semiconductors that have made great strides in third generation thin film light harvesting and light emitting optoelectronic devices. Recently it has been demonstrated that large, high purity single crystals of these perovskites can be synthesized from the solution phase. These crystals’ large dimensions, clean bandgap, and solid-state order, have provided us with a suitable medium to observe and quantify two-photon absorption in perovskites. When CH3NH3PbBr3 single crystals are pumped with intense 800 nm light, we observe band-to-band photoluminescence at 572 nm, indicative of two-photon absorption. We report the nonlinear absorption coefficient of CH3NH3PbBr3 perovskites to be 8.6 cm GW-1 at 800 nm, comparable to epitaxial single crystal semiconductors of similar bandgap. We have leveraged this nonlinear process to electrically autocorrelate a 100 fs pulsed laser using a two-photon perovskite photodetector. This work demonstrates the viability of organometallic trihalide perovskites as a convenient and low-cost nonlinear absorber for applications in ultrafast photonics.

Basic organometallic chemistry: containing comprehensive bibliography

National Research Council Canada - National Science Library

Haiduc, Ionel; Zuckerman, Jerry J

1985-01-01

.... Organometallic chemistry is the discipline dealing with compounds containing at least one direct metal-carbon bond. This bond can be simple covalent [as in lead tetraethyl, Pb(C H )J or π-dative [as in ferrocene, Fe(i/ 5 2 5 -C 5 H 5 ) 2 ] or even predominantly ionic [as in ethylsodium, N a + C 2 Hs ]. On this basis, compounds like metal alkoxides, [for example, alu...

Transferable tight-binding model for strained group IV and III-V materials and heterostructures

Science.gov (United States)

Tan, Yaohua; Povolotskyi, Michael; Kubis, Tillmann; Boykin, Timothy B.; Klimeck, Gerhard

2016-07-01

It is critical to capture the effect due to strain and material interface for device level transistor modeling. We introduce a transferable s p3d5s* tight-binding model with nearest-neighbor interactions for arbitrarily strained group IV and III-V materials. The tight-binding model is parametrized with respect to hybrid functional (HSE06) calculations for varieties of strained systems. The tight-binding calculations of ultrasmall superlattices formed by group IV and group III-V materials show good agreement with the corresponding HSE06 calculations. The application of the tight-binding model to superlattices demonstrates that the transferable tight-binding model with nearest-neighbor interactions can be obtained for group IV and III-V materials.

Hydrodeoxygenation of coal using organometallic catalyst precursors

Science.gov (United States)

Kirby, Stephen R.

2002-04-01

The objective of this dissertation was to determine the desirability of organometallic compounds for the hydrodeoxygenation (HDO) of coal during liquefaction. The primary focus of this study was the removal of phenol-like compounds from coal liquids for the production of a thermally stable jet fuel. Investigation of the HDO ability of an organometallic compound containing both cobalt and molybdenum (CoMo-T2) was achieved using a combination of model compound and coal experiments. Model compounds were chosen representing four oxygen functional groups present in a range of coals. Electron density and bond order calculations were performed for anthrone, dinaphthyl ether, xanthene, di-t-butylmethylphenol, and some of their derivatives to ascertain a potential order of hydrogenolysis and hydrogenation reactivity for these compounds. The four model compounds were then reacted with CoMo-T2, as well as ammonium tetrathiomolybdate (ATTM). Products of reaction were grouped as compounds that had undergone deoxygenation, those that had aromatic rings reduced, those that were products of both reaction pathways, and those produced through other routes. ATTM had an affinity for both reaction types. Its reaction order for the four model compounds with respect to deoxygenated compounds was the same as that estimated from electron density calculations for hydrogenolysis reactivity. CoMo-T2 appeared to show a preference toward hydrogenation, although deoxygenated products were still achieved in similar, or greater, yields, for almost all the model compounds. The reactivity order achieved for the four compounds with CoMo-T2 was similar to that estimated from bond order calculations for hydrogenation reactivity. Three coals were selected representing a range of coal ranks and oxygen contents. DECS-26 (Wyodak), DECS-24 (Illinois #6), and DECS-23 (Pittsburgh #8) were analyzed by CPMAS 13C NMR and pyrolysis-GC-MS to determine the functional groups comprising the oxygen content of these

Valley–spin Seebeck effect in heavy group-IV monolayers

International Nuclear Information System (INIS)

Zhai, Xuechao; Wang, Shengdong; Zhang, Yan

2017-01-01

Akin to electron spin, the valley has become another highly valued degree of freedom in modern electronics, specifically after tremendous studies on monolayers of group-IV materials, i.e. graphene, silicene, germanene and stanene. Except for graphene, the other heavy group-IV monolayers have observable intrinsic spin–orbit interactions due to their buckled structures. Distinct from the usual electric or optical control of valley and spin, we here employ a temperature difference to drive electron motion in ferromagnetic heavy group-IV monolayers via designing a caloritronic device locally modulated by an interlayer electric (E z ) field. A unique valley–spin Seebeck (VSS) effect is discovered, with the current contributed only by one (the other) valley and one (the other) spin moving along one (the opposite) direction. This effect is suggested to be detected below the critical temperature about 18 K for silicene, 200 K for germanene and 400 K for stanene, arising from the characteristic valley–spin nondegenerate band structures tuned by the E z field, but cannot be driven in graphene without spin–orbit interaction. Above the critical temperature, the VSS effect is broken by overlarge temperature broadening. Besides the temperature, it is also found that the E z field can drive a transition between the VSS effect and the normal spin Seebeck effect. Further calculations indicate that the VSS effect is robust against many realistic perturbations. Our research represents a conceptually but substantially major step towards the study of the Seebeck effect. These findings provide a platform for encoding information simultaneously by the valley and spin quantum numbers of electrons in future thermal-logic circuits and energy-saving devices. (paper)

Special quasirandom structures for binary/ternary group IV random alloys

KAUST Repository

Chroneos, Alexander I.; Jiang, Chao; Grimes, Robin W.; Schwingenschlö gl, Udo

2010-01-01

Simulation of defect interactions in binary/ternary group IV semiconductor alloys at the density functional theory level is difficult due to the random distribution of the constituent atoms. The special quasirandom structures approach is a

Thermal conductivity of group-IV semiconductors from a kinetic-collective model.

Science.gov (United States)

de Tomas, C; Cantarero, A; Lopeandia, A F; Alvarez, F X

2014-09-08

The thermal conductivity of group-IV semiconductors (silicon, germanium, diamond and grey tin) with several isotopic compositions has been calculated from a kinetic-collective model. From this approach, significantly different to Callaway-like models in its physical interpretation, the thermal conductivity expression accounts for a transition from a kinetic (individual phonon transport) to a collective (hydrodynamic phonon transport) behaviour of the phonon field. Within the model, we confirm the theoretical proportionality between the phonon-phonon relaxation times of the group-IV semiconductors. This proportionality depends on some materials properties and it allows us to predict the thermal conductivity of the whole group of materials without the need to fit each material individually. The predictions on thermal conductivities are in good agreement with experimental data over a wide temperature range.

Thermal conductivity of group-IV semiconductors from a kinetic-collective model

Science.gov (United States)

de Tomas, C.; Cantarero, A.; Lopeandia, A. F.; Alvarez, F. X.

2014-01-01

The thermal conductivity of group-IV semiconductors (silicon, germanium, diamond and grey tin) with several isotopic compositions has been calculated from a kinetic-collective model. From this approach, significantly different to Callaway-like models in its physical interpretation, the thermal conductivity expression accounts for a transition from a kinetic (individual phonon transport) to a collective (hydrodynamic phonon transport) behaviour of the phonon field. Within the model, we confirm the theoretical proportionality between the phonon–phonon relaxation times of the group-IV semiconductors. This proportionality depends on some materials properties and it allows us to predict the thermal conductivity of the whole group of materials without the need to fit each material individually. The predictions on thermal conductivities are in good agreement with experimental data over a wide temperature range. PMID:25197256

New twists and turns for actinide chemistry: organometallic infinite coordination polymers of thorium diazide

Energy Technology Data Exchange (ETDEWEB)

Monreal, Marisa J.; Seaman, Lani A.; Goff, George S.; Michalczyk, Ryszard; Morris, David E.; Scott, Brian L.; Kiplinger, Jaqueline L. [Los Alamos National Laboratory, Los Alamos, NM (United States)

2016-03-07

Two organometallic 1D infinite coordination polymers and two organometallic monometallic complexes of thorium diazide have been synthesized and characterized. Steric control of these self-assembled arrays, which are dense in thorium and nitrogen, has also been demonstrated: infinite chains can be circumvented by using steric bulk either at the metallocene or with a donor ligand in the wedge. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Organometallic copper I, II or III species in an intramolecular dechlorination reaction

KAUST Repository

Poater, Albert

2013-03-15

The present paper gives insight into an intramolecular dechlorination reaction involving Copper (I) and an ArCH2Cl moiety. The discussion of the presence of a CuIII organometallic intermediate becomes a challenge, and because of the lack of clear experimental detection of this proposed intermediate, and due to the computational evidence that it is less stable than other isomeric species, it can be ruled out for the complex studied here. Our calculations are completely consistent with the key hypothesis of Karlin et al. that TMPA-CuI is the substrate of intramolecular dechlorination reactions as well as the source to generate organometallic species. However the organometallic character of some intermediates has been refused because computationally these species are less stable than other isomers. Thus this study constitutes an additional piece towards the full understanding of a class of reaction of biological relevance. Further, the lack of high energy barriers and deep energy wells along the reaction pathway explains the experimental difficulties to trap other intermediates. © Springer-Verlag Berlin Heidelberg 2013.

Platinum-195 nuclear magnetic resonance of organometallic compounds

OpenAIRE

Ursini, Cleber Vinicius

1997-01-01

A brief review of 195Pt NMR is presented, focusing organometallic compounds. This article gives initially basic information of NMR processes involving 195Pt nucleus. It is followed by a discussion of the factors which affect the chemical shifts and coupling constants. Finally, some aspects of 195Pt NMR of solids are commented.

Transferable tight binding model for strained group IV and III-V heterostructures

Science.gov (United States)

Tan, Yaohua; Povolotskyi, Micheal; Kubis, Tillmann; Boykin, Timothy; Klimeck, Gerhard

Modern semiconductor devices have reached critical device dimensions in the range of several nanometers. For reliable prediction of device performance, it is critical to have a numerical efficient model that are transferable to material interfaces. In this work, we present an empirical tight binding (ETB) model with transferable parameters for strained IV and III-V group semiconductors. The ETB model is numerically highly efficient as it make use of an orthogonal sp3d5s* basis set with nearest neighbor inter-atomic interactions. The ETB parameters are generated from HSE06 hybrid functional calculations. Band structures of strained group IV and III-V materials by ETB model are in good agreement with corresponding HSE06 calculations. Furthermore, the ETB model is applied to strained superlattices which consist of group IV and III-V elements. The ETB model turns out to be transferable to nano-scale hetero-structure. The ETB band structures agree with the corresponding HSE06 results in the whole Brillouin zone. The ETB band gaps of superlattices with common cations or common anions have discrepancies within 0.05eV.

ORGANOMETALLIC IRON(II) COMPLEXES CONTAINING P-SUBSTITUTED ACETOPHENONE-ARYLHYDRAZONE LIGANDS

OpenAIRE

Manzur, Carolina; Millán, Lorena; Figueroa, Walter; Hamon, Jean-René; Mata, Jose A.; Carrillo, David

2002-01-01

A series of twelve new organometallic acetophenone-hydrazone complexes of general formula [(h 5-Cp)Fe(h 6-o-RC6H4)-NHN=CMe-C6H4-p-R’]+PF6- (Cp= C5H5; R,R’=H,Me, [5]+PF6-; H,MeO, [6]+PF6-; H,NMe2, [7]+PF6-; Me,Me, [8]+PF6-; Me,MeO, [9]+PF6-; Me,NMe2, [10]+PF6-; MeO,Me, [11]+PF6-; MeO,MeO, [12]+PF6-; MeO,NMe2, [13]+PF6-; Cl,Me, [14]+PF6-; Cl,MeO, [15]+PF6-; Cl,NMe2, [16]+PF6-) has been prepared by reaction between their corresponding organometallic hydrazine precursors [(h 5-Cp)Fe(h 6-o-RC6H4)-...

Structural features and electronic properties of group-III-, group-IV-, and group-V-doped Si nanocrystallites

International Nuclear Information System (INIS)

Ramos, L E; Degoli, Elena; Cantele, G; Ossicini, Stefano; Ninno, D; Furthmueller, J; Bechstedt, F

2007-01-01

We investigate the incorporation of group-III (B and Al), group-IV (C and Ge), and group-V (N and P) impurities in Si nanocrystallites. The structural features and electronic properties of doped Si nanocrystallites, which are faceted or spherical-like, are studied by means of an ab initio pseudopotential method including spin polarization. Jahn-Teller distortions occur in the neighborhood of the impurity sites and the bond lengths show a dependence on size and shape of the nanocrystallites. We find that the acceptor (group-III) and donor (group-V) levels become deep as the nanocrystallites become small. The energy difference between the spin-up and spin-down levels of group-III and group-V impurities decreases as the size of the Si nanocrystallite increases and tends to the value calculated for Si bulk. Doping with carbon introduces an impurity-related level in the energy gap of the Si nanocrystallites

Systems and methods for solar energy storage, transportation, and conversion utilizing photochemically active organometallic isomeric compounds and solid-state catalysts

Science.gov (United States)

Vollhardt, K. Peter C.; Segalman, Rachel A; Majumdar, Arunava; Meier, Steven

2015-02-10

A system for converting solar energy to chemical energy, and, subsequently, to thermal energy includes a light-harvesting station, a storage station, and a thermal energy release station. The system may include additional stations for converting the released thermal energy to other energy forms, e.g., to electrical energy and mechanical work. At the light-harvesting station, a photochemically active first organometallic compound, e.g., a fulvalenyl diruthenium complex, is exposed to light and is photochemically converted to a second, higher-energy organometallic compound, which is then transported to a storage station. At the storage station, the high-energy organometallic compound is stored for a desired time and/or is transported to a desired location for thermal energy release. At the thermal energy release station, the high-energy organometallic compound is catalytically converted back to the photochemically active organometallic compound by an exothermic process, while the released thermal energy is captured for subsequent use.

Catalysed hydrogen isotope exchange

International Nuclear Information System (INIS)

1973-01-01

A method is described for enhancing the rate of exchange of hydrogen atoms in organic compounds or moieties with deuterium or tritium atoms. It comprises reacting the organic compound or moiety and a compound which is the source of deuterium or tritium in the presence of a catalyst consisting of a non-metallic, metallic or organometallic halide of Lewis acid character and which is reactive towards water, hydrogen halides or similar protonic acids. The catalyst is a halide or organometallic halide of: (i) zinc or another element of Group IIb; (ii) boron, aluminium or another element of Group III; (iii) tin, lead, antimony or another element of Groups IV to VI; or (iv) a transition metal, lanthanide or stable actinide; or a halohalide. (author)

Organometallic halide perovskite single crystals having low deffect density and methods of preparation thereof

KAUST Repository

Bakr, Osman M.

2016-02-18

The present disclosure presents a method of making a single crystal organometallic halide perovskites, with the formula: AMX3, wherein A is an organic cation, M is selected from the group consisting of: Pb, Sn, Cu, Ni, Co, Fe, Mn, Pd, Cd, Ge, and Eu, and X is a halide. The method comprises the use of two reservoirs containing different precursors and allowing the vapor diffusion from one reservoir to the other one. A solar cell comprising said crystal is also disclosed.

A review of the inorganic and organometallic chemistry of zirconium

International Nuclear Information System (INIS)

Kalvins, A.K.

1985-01-01

The results of a literature review of the inorganic and organometallic chemistry of zirconium are presented. Compounds with physical and chemical properties compatible with the requirements of an ir laser zirconium isotope separation process have been identified

Fabrication of superconducting wire using organometallic precursors and infiltration

International Nuclear Information System (INIS)

Lee, Y.J.

1991-01-01

Organometallic precursors from naphthenic acid and metal nitrates were used for the synthesis of YBCO oxide superconducting compounds. The characteristics of metal naphthenates as organometallic precursors were investigated by IR spectra, viscosity measurements, and infiltration. 123 superconducting compound obtained from 123 naphthenate showed a Tc of 90 degree K and a rather dense and elongated microstructure. Also, the melting behavior of Ba-cuprates which were used for 123 making was studied. A low-temperature melting process was developed to fabricate silver-sheathed superconducting wire with the powder-in-tube method; flowing argon gas is introduced to the system at 930-945 degree C to reduce the melting temperature of the 123 compound without silver sheath melting. It resulted in a 90 degree K Tc superconducting core with dense and locally aligned microstructure. SEM-EDS and XRD analysis, 4-probe resistance and Jc measurements, and carbon-content determinations were carried out to characterize the microstructure, grain alignment, and superconducting properties of the samples

3D continuum phonon model for group-IV 2D materials

KAUST Repository

Willatzen, Morten

2017-06-30

A general three-dimensional continuum model of phonons in two-dimensional materials is developed. Our first-principles derivation includes full consideration of the lattice anisotropy and flexural modes perpendicular to the layers and can thus be applied to any two-dimensional material. In this paper, we use the model to not only compare the phonon spectra among the group-IV materials but also to study whether these phonons differ from those of a compound material such as molybdenum disulfide. The origin of quadratic modes is clarified. Mode coupling for both graphene and silicene is obtained, contrary to previous works. Our model allows us to predict the existence of confined optical phonon modes for the group-IV materials but not for molybdenum disulfide. A comparison of the long-wavelength modes to density-functional results is included.

Horizons of organic and organoelemental chemistry. 7. All-Russian conference on organometallic chemistry. Summaries of reports. V. 2

International Nuclear Information System (INIS)

1999-01-01

Abstracts of the seventh All-Russian conference on organometallic chemistry are presented. The main part of reports are devoted to the synthesis of organometallic compounds with assigned properties of rare earths, transition elements and other metals. Data on molecular structure, chemical and electrochemical properties of these compounds are presented

Investigation of organometallic reaction mechanisms with one and two dimensional vibrational spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Cahoon, James Francis [Univ. of California, Berkeley, CA (United States)

2008-12-01

One and two dimensional time-resolved vibrational spectroscopy has been used to investigate the elementary reactions of several prototypical organometallic complexes in room temperature solution. The electron transfer and ligand substitution reactions of photogenerated 17-electron organometallic radicals CpW(CO)₃ and CpFe(CO)₂ have been examined with one dimensional spectroscopy on the picosecond through microsecond time-scales, revealing the importance of caging effects and odd-electron intermediates in these reactions. Similarly, an investigation of the photophysics of the simple Fischer carbene complex Cr(CO)₅[CMe(OMe)] showed that this class of molecule undergoes an unusual molecular rearrangement on the picosecond time-scale, briefly forming a metal-ketene complex. Although time-resolved spectroscopy has long been used for these types of photoinitiated reactions, the advent of two dimensional vibrational spectroscopy (2D-IR) opens the possibility to examine the ultrafast dynamics of molecules under thermal equilibrium conditions. Using this method, the picosecond fluxional rearrangements of the model metal carbonyl Fe(CO)₅ have been examined, revealing the mechanism, time-scale, and transition state of the fluxional reaction. The success of this experiment demonstrates that 2D-IR is a powerful technique to examine the thermally-driven, ultrafast rearrangements of organometallic molecules in solution.

An Organometallic Future in Green and Energy Chemistry?

Energy Technology Data Exchange (ETDEWEB)

Crabtree, Robert H

2011-01-10

The title topic is reviewed with selected examples taken from recent work, such as: the 'hydrogen borrowing' amine alkylation by alcohols; the dehydrogenative coupling of amine and alcohol to give amide; Ru complexes as solar cell photosensitizers; Ir organometallics as water oxidation catalyst precursors and as OLED emitters; as well as recent hydrogen storage strategies involving catalytic dehydrogenation of ammonia-borane and of organic heterocycles.

Organometallic benzene-vanadium wire: A one-dimensional half-metallic ferromagnet

DEFF Research Database (Denmark)

Maslyuk, V.; Bagrets, A.; Meded, V.

2006-01-01

Using density functional theory we perform theoretical investigations of the electronic properties of a freestanding one-dimensional organometallic vanadium-benzene wire. This system represents the limiting case of multidecker V-n(C6H6)(n+1) clusters which can be synthesized with established meth...

Thermal lens and all optical switching of new organometallic compound doped polyacrylamide gel

Science.gov (United States)

Badran, Hussain Ali

In this work thermal lens spectrometry (TLS) is applied to investigate the thermo-optical properties of new organometallic compound containing azomethine group, Dichloro bis [2-(2-hydroxybenzylideneamino)-5-methylphenyl] telluride platinum(II), doped polyacrylamide gel using transistor-transistor logic (TTL) modulated cw 532 nm laser beam as an excitation beam modulated at 10 Hz frequency and probe beam wavelength 635 nm at 14 mW. The technique is applied to determine the thermal diffusivities, ds/dT and the linear thermal expansion coefficient of the sample. All-optical switching effects with low background and high stability are demonstrated.

Functional Group Analysis.

Science.gov (United States)

Smith, Walter T., Jr.; Patterson, John M.

1984-01-01

Literature on analytical methods related to the functional groups of 17 chemical compounds is reviewed. These compounds include acids, acid azides, alcohols, aldehydes, ketones, amino acids, aromatic hydrocarbons, carbodiimides, carbohydrates, ethers, nitro compounds, nitrosamines, organometallic compounds, peroxides, phenols, silicon compounds,…

Core level shifts in group IV semiconductors and semimetals

International Nuclear Information System (INIS)

Yin, S.; Tosatti, E.

1981-08-01

We calculate the core level binding energy shift from the isolated atom to the crystalline solid, for group IV elemental semiconductors. This is done by simple extension of Johansson and Martensson's scheme for metals. We show that the core level energy in a nonmetal must be measured by the photo absorption (''core exciton'') threshold rather than by photo emission. As a byproduct, a simple scheme is also devised to evaluate impurity heats of solutions in semiconductors. (author)

Identification of isomers of organometallic compounds

Energy Technology Data Exchange (ETDEWEB)

Mbue, Sona Peter; Cho, Kwang Hwi [Dept. of Bioinformatics and Life Science, School of Systems Biomedical Science, Soongsil University,Seoul (Korea, Republic of)

2015-06-15

The yaChI is a newly suggested chemical naming system. However, yaChI is a derivative of the IUPAC InChI with a modified algorithm that includes additional layers of chemical structure information. Consequently, yaChI string contains more structure details while preserving the original structure file information and can distinctively identify very closely related compounds reducing the chances of ambiguity in chemical compound databases as opposed to the general SMILES, InChI, and InChIKey. This study examines the relative performances of yaChI, SMILES, InChI, and InChIKey in duplication check for isomers. For simplicity, a small data set of 28 organometallic compounds (structural isomers of Rh-containing compounds) subdivided into three major groups (A, B, and C) based on the number and the type of ligands attached to the center atom was used to study the performances of each encoding scheme in describing chemical structures. SMILES, InChI, and InChIKey were generated using Openbabel and RDkit, whereas yaChI strings were generated with in-house program. Strings generated from SMILES, InChI, and InChIKey though different, resulted to only three unique chemical identifiers, with each belonging to one group indicating the presence of only three unique compounds in the study data. However, yaChI results depicted that all structures in each group are indeed unique and differ among themselves as well as those from other groups, mapping each structure with a unique identifier given a total number of 28 unique structures in the study data. This high perception of yaChI probe justifies its accuracy and reliability in duplication check among closely related compounds especially structures exhibiting stereo properties.

Highvalent and organometallic technetium and rhenium compounds

International Nuclear Information System (INIS)

Oehlke, Elisabeth

2010-01-01

Diagnostic methods in nuclear medicine allow a detailed description of morphological organ structures and their function. The beta emitting isotope Tc-99 has optimal physical properties (140 keV gamma rays, half-life 6 h) and is therefore used for radiopharmaceuticals. The thesis is concerned with the search for new technetium complexes and their reproducible production. The (TcO3) core is of main interest. The second part of the thesis deals with organometallic technetium and rhenium complexes with carbonyl ligands and N-heterocyclic carbenes that show stability in aerobic aqueous solutions.

Organometallics and related molecules for energy conversion

CERN Document Server

Wong, Wai-Yeung

2015-01-01

This book presents a critical perspective of the applications of organometallic compounds (including those with metal or metalloid elements) and other related metal complexes as versatile functional materials in the transformation of light into electricity (solar energy conversion) and electricity into light (light generation in light emitting diode), in the reduction of carbon dioxide to useful chemicals, as well as in the safe and efficient production and utilization of hydrogen, which serves as an energy storage medium (i.e. energy carrier). This book focuses on recent research developmen

Mew organometallic complexes of technetium in different oxidation states

International Nuclear Information System (INIS)

Joachim, J.E.

1993-09-01

New organometallic compounds of Tc(I), Tc(III) and Tc(VII) were synthesized and their properties examined. These compounds were correlated with their homologous compounds of manganese and rhenium, which were also synthesized by the same route. The molecular and crystal structures of most technetium complexes and of the homologous complexes of manganese and rhenium were determined by single crystal X-ray diffraction. (orig.) [de

Writing nanopatterns with electrochemical oxidation on redox responsive organometallic multilayers by AFM

NARCIS (Netherlands)

Song, Jing; Hempenius, Mark A.; Chung, H.J.; Vancso, Gyula J.

2015-01-01

Nanoelectrochemical patterning of redox responsive organometallic poly(ferrocenylsilane) (PFS) multilayers is demonstrated by electrochemical dip pen lithography (EDPN). Local electrochemical oxidation and Joule heating of PFS multilayers from the tip are considered as relevant mechanisms related to

Theory of Hydrogen Storage: A New Strategy within Organometallic Chemistry

Science.gov (United States)

Zhao, Yufeng

2006-03-01

As one of the most vigorous fields in modern chemistry, organometallic chemistry has made vast contributions to a broad variety of technological fields including catalysis, light emitters, molecular devices, liquid crystals, and even superconductivity. Here we show that organometallic chemistry in nanoscale could be the frontier in hydrogen storage. Our study is based on the notion that the 3d transition metal (TM) atoms are superb absorbers for H storage, as their empty d orbital can bind dihydrogen ligands (elongated but non-dissociated H2) with high capacity at nearly ideal binding energy for reversible hydrogen storage. By embedding the TM atoms into a carbon-based nanostructures, high H capacity can be maintained. This presentation contains four parts. First, by comparing the conventional hydrogen storage media, e.g., metal hydrides and carbon-based materials, the general principles for designing hydrogen storage materials are outlined. Second, organometallic buckyballs are studied to demonstrate the novel strategy. The amount of H2 adsorbed on a Sc-coated fullerene, C48B12 [ScH]12, could approach 9 wt%, with binding energies of 30-40 kJ/mol. Third, the method is applied to the transition-metal carbide nanoparticles that have been synthesized experimentally. The similar non-dissociative H2 binding is revealed in our calculation, thereby demonstrating the resilience of the overall mechanism. Moreover, a novel self-catalysis process is identified. In the fourth part, transition-metal functionalization of highly porous carbon-based materials is discussed heuristically to foresee macroscopic media for hydrogen storage. Finally follows the summary and discussion of the remaining challenges to practical hydrogen storage. Work in collaboration with A. C. Dillon, Y.-H. Kim, M. Heben & S. B. Zhang and supported by the U.S. DOE/EERE under contract No. DE-AC36-99GO10337.

2011 Organometallic Chemistry (July 10-15, 2011, Salve Regina University, Newport, RI)

Energy Technology Data Exchange (ETDEWEB)

Dr. Emilio Bunel

2011-07-15

Organometallic chemistry has played and will continue to play a significant role in helping us understand the way bonds are made or broken in the presence of a transition metal complex. Current challenges range from the efficient exploitation of energy resources to the creative use of natural and artificial enzymes. Most of the new advances in the area are due to our extended understanding of processes at a molecular level due to new mechanistic studies, techniques to detect reaction intermediates and theory. The conference will bring the most recent advances in the field including nanocatalysis, surface organometallic chemistry, characterization techniques, new chemical reactivity and theoretical approaches along with applications to organic synthesis and the discovery of new materials. The Conference will bring together a collection of investigators who are at the forefront of their field, and will provide opportunities for junior scientists and graduate students to present their work in poster format and exchange ideas with leaders in the field. Six outstanding posters will be selected for short talks. The collegial atmosphere of this Conference, with programmed discussion sessions as well as opportunities for informal gatherings in the afternoons and evenings, provides an avenue for scientists from different disciplines to brainstorm and promotes cross-disciplinary collaborations in the various research areas represented. Graduate students and postdoctoral fellows should also consider participating in the Gordon Research Seminar on Organometallic Chemistry (July 9-10, same location) which is specially designed to promote interaction and discussion between junior scientists.

Toxicology of organic-inorganic hybrid molecules: bio-organometallics and its toxicology.

Science.gov (United States)

Fujie, Tomoya; Hara, Takato; Kaji, Toshiyuki

2016-01-01

Bio-organometallics is a research strategy of biology that uses organic-inorganic hybrid molecules. The molecules are expected to exhibit useful bioactivities based on the unique structure formed by interaction between the organic structure and intramolecular metal(s). However, studies on both biology and toxicology of organic-inorganic hybrid molecules have been incompletely performed. There can be two types of toxicological studies of bio-organometallics; one is evaluation of organic-inorganic hybrid molecules and the other is analysis of biological systems from the viewpoint of toxicology using organic-inorganic hybrid molecules. Our recent studies indicate that cytotoxicity of hybrid molecules containing a metal that is nontoxic in inorganic forms can be more toxic than that of hybrid molecules containing a metal that is toxic in inorganic forms when the structure of the ligand is the same. Additionally, it was revealed that organic-inorganic hybrid molecules are useful for analysis of biological systems important for understanding the toxicity of chemical compounds including heavy metals.

Volatile organometallic and semiconductor materials

International Nuclear Information System (INIS)

Dickson, R.S.

1991-01-01

This article reports on a project concerned with the metal organic chemical vapour deposition (MOCVD) of mercury-cadmium telluride (MCT) undertaken by a research consortium based in the Clayton area involving Monash University Chemistry Department, Telecom Research Laboratories, and CSIRO Division of Material Sciences and Technology. An M.R. Semicon 226 MOCVD reactor, operating near atmospheric presure with hydrogen carrier gas has been used. Most applications of MCT are direct consequence of its responsiveness to radiation in infrared region spectrum. The main aims of the project were to prepare and assess a range of volatile organometallics that might find use as a dopant sources for MCT, to prepare and study the properties of a range of different lanthanide complexes for MOCVD applications and to fully characterize the semiconductor wafers after growth. 19 refs., 3 figs

Efficient organometallic spin filter between single-wall carbon nanotube or graphene electrodes

DEFF Research Database (Denmark)

Koleini, Mohammad; Paulsson, Magnus; Brandbyge, Mads

2007-01-01

We present a theoretical study of spin transport in a class of molecular systems consisting of an organometallic benzene-vanadium cluster placed in between graphene or single-wall carbon-nanotube-model contacts. Ab initio modeling is performed by combining spin density functional theory...

Diversity of the Germination Apparatus in Clostridium botulinum Groups I, II, III and IV

Directory of Open Access Journals (Sweden)

Jason Brunt

2016-10-01

Full Text Available Clostridium botulinum is a highly dangerous pathogen that forms very resistant endospores that are ubiquitous in the environment, and which, under favourable conditions germinate to produce vegetative cells that multiply and form the exceptionally potent botulinum neurotoxin. To improve the control of botulinum neurotoxin-forming clostridia, it is important to understand the mechanisms involved in spore germination. Here we present models for spore germination in C. botulinum based on comparative genomics analyses, with C. botulinum Groups I and III sharing similar pathways, which differ from those proposed for C. botulinum Groups II and IV. All spores germinate in response to amino acids interacting with a germinant receptor, with four types of germinant receptor identified (encoded by various combinations of gerA, gerB and gerC genes (gerX. There are three gene clusters with an ABC-like configuration; ABC gerX1, ABABCB gerX2 and ACxBBB gerX4, and a single CA-B gerX3 gene cluster. Subtypes have been identified for most germinant receptors types, and the individual GerX subunits of each cluster show similar grouping in phylogenetic trees. C. botulinum Group I contained the largest variety of gerX subtypes, with three gerX1, three gerX2 and one gerX3 subtypes, while C. botulinum Group III contained two gerX1 types and one gerX4. C. botulinum Groups II and IV contained a single germinant receptor, gerX3 and gerX1, respectively. It is likely that all four C. botulinum Groups include a SpoVA channel involved in DPA release. The cortex lytic enzymes present in C. botulinum Groups I and III appear to be CwlJ and SleB, while in C. botulinum Groups II and IV, SleC appears to be important.

Recent Applications of Polymer Supported Organometallic Catalysts in Organic Synthesis

Directory of Open Access Journals (Sweden)

Nina Kann

2010-09-01

Full Text Available Recent developments concerning the application of polymer supported organometallic reagents in solid phase synthesis are reviewed, with a special focus on methodology for carbon-carbon formation. Examples of reactions that are covered include the classical Suzuki, Sonogashira and Heck coupings, but also aryl amination, epoxide opening, rearrangements, metathesis and cyclopropanation. Applications in the field of asymmetric synthesis are also discussed.

Molecular orbital studies of the bonding in heavy element organometallics

International Nuclear Information System (INIS)

Bursten, B.E.

1990-01-01

This progress report contains highlights of research projects in actinide chemistry. Projects covered are bonding in Np, Pu, and transplutonium organometallic compounds, applications of the discrete variational Xα method to actinide chemistry, ab initio calculations on actinide molecules, and experimental comparisons of organoactinide and organotransition metal chemistry. Also included is brief discussions on budgets, funding, invited papers and invited presentations. (JL)

Horizons of organic and organoelemental chemistry. 7. All-Russian conference on organometallic chemistry. Program and summaries of communications. V. 1

International Nuclear Information System (INIS)

1999-01-01

Abstracts of the seventh All-Russian conference on organometallic chemistry are presented. The synthesis of organometallic compounds of rare earth, transition elements, the synthesis of organic boron compounds are played an important role in modern organic chemistry and the main part of reports are devoted to these problems. Methods of labelling by radioactive isotopes of organic compounds used in medicine are discussed

Group IV nanotube transistors for next generation ubiquitous computing

KAUST Repository

Fahad, Hossain M.

2014-06-04

Evolution in transistor technology from increasingly large power consuming single gate planar devices to energy efficient multiple gate non-planar ultra-narrow (< 20 nm) fins has enhanced the scaling trend to facilitate doubling performance. However, this performance gain happens at the expense of arraying multiple devices (fins) per operation bit, due to their ultra-narrow dimensions (width) originated limited number of charges to induce appreciable amount of drive current. Additionally arraying degrades device off-state leakage and increases short channel characteristics, resulting in reduced chip level energy-efficiency. In this paper, a novel nanotube device (NTFET) topology based on conventional group IV (Si, SiGe) channel materials is discussed. This device utilizes a core/shell dual gate strategy to capitalize on the volume-inversion properties of an ultra-thin (< 10 nm) group IV nanotube channel to minimize leakage and short channel effects while maximizing performance in an area-efficient manner. It is also shown that the NTFET is capable of providing a higher output drive performance per unit chip area than an array of gate-all-around nanowires, while maintaining the leakage and short channel characteristics similar to that of a single gate-all-around nanowire, the latter being the most superior in terms of electrostatic gate control. In the age of big data and the multitude of devices contributing to the internet of things, the NTFET offers a new transistor topology alternative with maximum benefits from performance-energy efficiency-functionality perspective. © (2014) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.

Energy and chemicals from the selective electrooxidation of renewable diols by organometallic fuel cells.

Science.gov (United States)

Bellini, Marco; Bevilacqua, Manuela; Filippi, Jonathan; Lavacchi, Alessandro; Marchionni, Andrea; Miller, Hamish A; Oberhauser, Werner; Vizza, Francesco; Annen, Samuel P; Grützmacher, H

2014-09-01

Organometallic fuel cells catalyze the selective electrooxidation of renewable diols, simultaneously providing high power densities and chemicals of industrial importance. It is shown that the unique organometallic complex [Rh(OTf)(trop2NH)(PPh3)] employed as molecular active site in an anode of an OMFC selectively oxidizes a number of renewable diols, such as ethylene glycol , 1,2-propanediol (1,2-P), 1,3-propanediol (1,3-P), and 1,4-butanediol (1,4-B) to their corresponding mono-carboxylates. The electrochemical performance of this molecular catalyst is discussed, with the aim to achieve cogeneration of electricity and valuable chemicals in a highly selective electrooxidation from diol precursors. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Interplay between experiments and calculations for organometallic clusters and caged clusters

International Nuclear Information System (INIS)

Nakajima, Atsushi

2015-01-01

Clusters consisting of 10-1000 atoms exhibit size-dependent electronic and geometric properties. In particular, composite clusters consisting of several elements and/or components provide a promising way for a bottom-up approach for designing functional advanced materials, because the functionality of the composite clusters can be optimized not only by the cluster size but also by their compositions. In the formation of composite clusters, their geometric symmetry and dimensionality are emphasized to control the physical and chemical properties, because selective and anisotropic enhancements for optical, chemical, and magnetic properties can be expected. Organometallic clusters and caged clusters are demonstrated as a representative example of designing the functionality of the composite clusters. Organometallic vanadium-benzene forms a one dimensional sandwich structure showing ferromagnetic behaviors and anomalously large HOMO-LUMO gap differences of two spin orbitals, which can be regarded as spin-filter components for cluster-based spintronic devices. Caged clusters of aluminum (Al) are well stabilized both geometrically and electronically at Al 12 X, behaving as a “superatom”

Hepatic imaging in stage IV-S neuroblastoma

International Nuclear Information System (INIS)

Franken, E.A. Jr.; Smith, W.L.; Iowa Univ., Iowa City; Cohen, M.D.; Kisker, C.T.; Platz, C.E.

1986-01-01

Stage IV-S neuroblastoma describes a group of infants with tumor spread limited to liver, skin, or bone marrow. Such patients, who constitute about 25% of affected infants with neuroblastoma, may expect spontaneous tumor remission. We report 18 infants with Stage IV-S neuroblastoma, 83% of whom had liver involvement. Imaging investigations included Technetium 99m sulfur colloid scan, ultrasound, and CT. Two patterns of liver metastasis were noted: ill-defined nodules or diffuse tumor throughout the liver. Distinction of normal and abnormal liver with diffuse type metastasis could be quite difficult, particularly with liver scans. We conclude that patients with Stage IV-S neuroblastoma have ultrasound or CT examination as an initial workup, with nuclear medicine scans reserved for followup studies. (orig.)

Redox responsive nanotubes from organometallic polymers by template assisted layer by layer fabrication

NARCIS (Netherlands)

Song, Jing; Janczewski, D.J.; Guo, Y.Y.; Guo, Yuanyuan; Xu, Jianwei; Vancso, Gyula J.

2013-01-01

Redox responsive nanotubes were fabricated by the template assisted layer-by-layer (LbL) assembly method and employed as platforms for molecular payload release. Positively and negatively charged organometallic poly(ferrocenylsilane)s (PFS) were used to construct the nanotubes, in combination with

Organometallics and quaternary ammonium salts affect calcium ion desorption from lecithin liposome membranes

International Nuclear Information System (INIS)

Kral, T.E.; Kuczera, J.; Przestalski, S.

2001-01-01

The objective of the present work was to compare the effects of groups of tin and lead organometallic compounds and their mixtures with amphiphilic quaternary ammonium salts (QAS) on the process of calcium ion desorption from lecithin liposome membranes, as dependent on the properties of the hydrophilic and hydrophobic parts of QAS. In the investigations the method of radioactive labels was applied. Synergism and antagonism in the action of both groups of compounds were found. The effectiveness of the cooperation depended more on chain length of QAS compounds than on the size and polarity of their hydrophobic parts. The most effective of all compounds studied was a the mixture of benzyldimethylammonium chloride in a mixture with tripropyltin. Since the rate of calcium desorption proved to be a good measure of efficacy of biologically active surfactants, it seems that the conclusions reached in this paper may be useful for choosing compounds which are able to decontaminate the environment polluted with heavy metals. (orig.)

Advanced polymer chemistry of organometallic anions

International Nuclear Information System (INIS)

Chamberlin, R.M.; Abney, K.D.; Balaich, G.J.; Fino, S.A.

1997-01-01

This is the final report of a one-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The objective of the project was to prepare and characterize new polymers incorporating cobalt dicarbollide. Specific goals were to prepare polymerizable cobalt dicarbollide monomers using the nucleophilic substitution route discovered in laboratories and to establish the reaction conditions required to form polymers from these complexes. This one-year project resulted in two publications (in press), and provided the foundation for further investigations into polymer synthesis and characterization using cobalt dicarbollide and other metallocarboranes. Interest in synthesizing organometallic polymers containing the cobalt bis(dicarbollide) anion is motivated by their possible application as cation exchange materials for the remediation of cesium-137 and strontium-90 from nuclear wastes

A new group in the Leptospirillum clade: cultivation-independent community genomics, proteomics and transcriptomics of the new species Leptospirillum group IV UBA BS.

Energy Technology Data Exchange (ETDEWEB)

Goltsman, Daniela [University of California, Berkeley; Dasari, Mauna [University of California, Berkeley; Thomas, BC [University of California, Berkeley; Shah, Manesh B [ORNL; Verberkmoes, Nathan C [ORNL; Hettich, Robert {Bob} L [ORNL; Banfield, Jillian F. [University of California, Berkeley

2013-01-01

Leptospirillum spp. are widespread members of acidophilic microbial communities that catalyze ferrous iron oxidation, thereby increasing sulfide mineral dissolution rates. These bacteria play important roles in environmental acidification and are harnessed for bioleaching-based metal recovery. Known members of the Leptospirillum clade of the Nitrospira phylum are Leptospirillum ferrooxidans (group I), Leptospirillum ferriphilum and Leptospirillum rubarum (group II), and Leptospirillum ferrodiazotrophum (group III). In the Richmond Mine acid mine drainage (AMD) system, biofilm formation is initiated by L. rubarum; L. ferrodiazotrophum appears in later developmental stages. Here we used community metagenomic data from unusual, thick floating biofilms to identify distinguishing metabolic traits in a rare and uncultivated community member, the new species Leptospirillum group IV UBA BS. These biofilms typically also contain a variety of Archaea, Actinobacteria, and a few other Leptospirillum spp. The Leptospirillum group IV UBA BS species shares 98% 16S rRNA sequence identity and 70% average amino acid identity between orthologs with its closest relative, L. ferrodiazotrophum. The presence of nitrogen fixation and reverse tricarboxylic acid (TCA) cycle proteins suggest an autotrophic metabolism similar to that of L. ferrodiazotrophum, while hydrogenase proteins suggest anaerobic metabolism. Community transcriptomic and proteomic analyses demonstrate expression of a multicopper oxidase unique to this species, as well as hydrogenases and core metabolic genes. Results suggest that the Leptospirillum group IV UBA BS species might play important roles in carbon fixation, nitrogen fixation, hydrogen metabolism, and iron oxidation in some acidic environments.

Synthesis, characterization and reactivity of some lanthanide organometallics

International Nuclear Information System (INIS)

Marchal, N.

1991-12-01

Organo lanthanides with reactive metal-carbon bonds are obtained by direct synthesis of the metal (powder) and a hydrocarbon in ether medium, like with alkali metals. Two types of synthesis are envisaged: formation of covalent bonds by opening cycles, only biphenylene is reactive enough in regard to ytterbium and samarium, these organometallic compounds can also be prepared by the classical way, i.e. reaction of 2.2'-dilithio biphenyl on rare earth halogenides and coupling of 6.6-dimethylfulvene leading to dicyclopentadienyl compounds with Sm and Yb. The reactivity of these complexes is studied by catalysis of ethylene polymerization

Emergence of group B Streptococcus serotype IV in women of child-bearing age in Ireland.

LENUS (Irish Health Repository)

Kiely, R A

2011-02-01

This study determined the carriage rate and serotype distribution of group B Streptococcus (GBS) in women of child-bearing age in the southern region of Ireland. A total of 2000 vaginal swabs collected in two periods in 2004 and 2006 were examined and revealed a GBS carriage rate of 16·1%. Serotyping of isolates showed that serotypes Ia, II, III, IV, and V were the most prevalent. A high prevalence of serotype IV was found, increasing from 7·6% to 15·2% between 2004 and 2006. Random amplified polymorphic DNA analysis demonstrated considerable genetic heterogeneity in the serotype IV isolates. This serotype should be considered for inclusion in potential vaccines for use in Ireland.

Bifactor model of WISC-IV: Applicability and measurement invariance in low and normal IQ groups.

Science.gov (United States)

Gomez, Rapson; Vance, Alasdair; Watson, Shaun

2017-07-01

This study examined the applicability and measurement invariance of the bifactor model of the 10 Wechsler Intelligence Scale for Children-Fourth Edition (WISC-IV) core subtests in groups of children and adolescents (age range from 6 to 16 years) with low (IQ ≤79; N = 229; % male = 75.9) and normal (IQ ≥80; N = 816; % male = 75.0) IQ scores. Results supported this model in both groups, and there was good support for measurement invariance for this model across these groups. For all participants together, the omega hierarchical and explained common variance (ECV) values were high for the general factor and low to negligible for the specific factors. Together, the findings favor the use of the Full Scale IQ (FSIQ) scores of the WISC-IV, but not the subscale index scores. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

Binding CO2 from Air by a Bulky Organometallic Cation Containing Primary Amines.

Science.gov (United States)

Luo, Yang-Hui; Chen, Chen; Hong, Dan-Li; He, Xiao-Tong; Wang, Jing-Wen; Ding, Ting; Wang, Bo-Jun; Sun, Bai-Wang

2018-03-21

The organometallic cation 1 (Fe(bipy-NH 2 ) 3 2+ , bipy-NH 2 = 4,4'-diamino-2,2'-bipyridine), which was constructed in situ in solution, can bind CO 2 from air effectively with a stoichiometric ratio of 1:4 (1/CO 2 ), through the formation of "H-bonded CO 2 " species: [CO 2 -OH-CO 2 ] - and [CO 2 -CO 2 -OH] - . These two species, along with the captured individual CO 2 molecules, connected 1 into a novel 3D (three-dimensional) architecture, that was crystal 1·2(OH - )·4(CO 2 ). The adsorption isotherms, recycling investigations, and the heat capacity of 1 have been investigated; the results revealed that the organometallic cation 1 can be recycled at least 10 times for the real-world CO 2 capture applications. The strategies presented here may provide new hints for the development of new alkanolamine-related absorbents or technologies for CO 2 capture and sequestration.

The Future of Polar Organometallic Chemistry Written in Bio-Based Solvents and Water.

Science.gov (United States)

García-Álvarez, Joaquín; Hevia, Eva; Capriati, Vito

2018-06-19

There is a strong imperative to reduce the release of volatile organic compounds (VOCs) into the environment, and many efforts are currently being made to replace conventional hazardous VOCs in favour of safe, green and bio-renewable reaction media that are not based on crude petroleum. Recent ground-breaking studies from a few laboratories worldwide have shown that both Grignard and (functionalised) organolithium reagents, traditionally handled under strict exclusion of air and humidity and in anhydrous VOCs, can smoothly promote both nucleophilic additions to unsaturated substrates and nucleophilic substitutions in water and other bio-based solvents (glycerol, deep eutectic solvents), competitively with protonolysis, at room temperature and under air. The chemistry of polar organometallics in the above protic media is a complex phenomenon influenced by several factors, and understanding its foundational character is surely stimulating in the perspective of the development of a sustainable organometallic chemistry. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fatigue-induced changes in group IV muscle afferent activity: differences between high- and low-frequency electrically induced fatigues.

Science.gov (United States)

Darques, J L; Jammes, Y

1997-03-07

Recordings of group IV afferent activity of tibialis anterior muscle were performed in paralysed rabbits during runs of electrically induced fatigue produced by direct muscle stimulation at a high (100 Hz, high-frequency fatigue HFF) or a low rate (10 Hz, low-frequency fatigue LFF). In addition to analysis of afferent nerve action potentials, muscle force and compound muscle action potentials (M waves) elicited by direct muscle stimulation with single shocks were recorded. Changes in M wave configuration were used as an index of the altered propagation of membrane potentials and the associated efflux of potassium from muscle fibers. The data show that increased group IV afferent activity occurred during LFF as well as HFF trials and developed parallel with force failure. Enhanced afferent activity was significantly higher during LFF (maximal delta f(impulses) = 249 +/- 35%) than HFF (147 +/- 45%). No correlation was obtained between the responses of group IV afferents to LFF or to pressure exerted on tibialis anterior muscle. On the other hand, decreased M wave amplitude was minimal with LFF while it was pronounced with HFF. Close correlations were found between fatigue-induced activation of group IV afferents and decreases in force or M wave amplitude, but their strength was significantly higher with LFF compared to HFF. Thus, electrically induced fatigue activates group IV muscle afferents with a prominent effect of low-frequency stimulation. The mechanism of muscle afferent stimulation does not seem to be due to the sole increase in extracellular potassium concentration, but also by the efflux of muscle metabolites, present during fatiguing contractions at low rate of stimulation.

Synthetic strategies for efficient conjugation of organometallic complexes with pendant protein reactive markers

KAUST Repository

Jantke, Dominik; Marziale, Alexander N.; Reiner, Thomas; Kraus, Florian; Herdtweck, Eberhardt; Raba, Andreas; Eppinger, Jö rg

2013-01-01

Site-directed conjugation of metal centers to proteins is fundamental for biological and bioinorganic applications of transition metals. However, methods for the site-selective introduction of metal centers remain scarce. Herein, we present broadly applicable synthetic strategies for the conjugation of bioactive molecules with a range of organometallic complexes. Following three different synthetic strategies, we were able to synthesize a small library of metal conjugated protein markers featuring different types of protein reactive sites (epoxides, phenylphosphonates, fluorosulfonates and fluorophosphonate groups) as well as different late transition metals (iron, ruthenium, rhodium, palladium and platinum). The products were isolated in moderate to excellent yields and high purity. Furthermore, X-ray diffraction of the metalated protein markers corroborates structural integrity of the metal complex and the protein reactive site. © 2013 Elsevier B.V. All rights reserved.

Synthetic strategies for efficient conjugation of organometallic complexes with pendant protein reactive markers

KAUST Repository

Jantke, Dominik

2013-11-01

Site-directed conjugation of metal centers to proteins is fundamental for biological and bioinorganic applications of transition metals. However, methods for the site-selective introduction of metal centers remain scarce. Herein, we present broadly applicable synthetic strategies for the conjugation of bioactive molecules with a range of organometallic complexes. Following three different synthetic strategies, we were able to synthesize a small library of metal conjugated protein markers featuring different types of protein reactive sites (epoxides, phenylphosphonates, fluorosulfonates and fluorophosphonate groups) as well as different late transition metals (iron, ruthenium, rhodium, palladium and platinum). The products were isolated in moderate to excellent yields and high purity. Furthermore, X-ray diffraction of the metalated protein markers corroborates structural integrity of the metal complex and the protein reactive site. © 2013 Elsevier B.V. All rights reserved.

Group IV Light Sources to Enable the Convergence of Photonics and Electronics

Directory of Open Access Journals (Sweden)

Shinichi eSaito

2014-09-01

Full Text Available Group IV lasers are expected to revolutionize chip-to-chip optical communications in terms of cost, scalability, yield, and compatibility to the existing infrastructure of silicon industries for mass production. Here, we review the current state-of-the-art developments of silicon and germanium light sources towards monolithic integration. Quantum confinement of electrons and holes in nano-structures has been the primary route for light emission from silicon, and we can use advanced silicon technologies using top-down patterning processes to fabricate these nano-structures, including fin-type vertical multiple quantum wells. Moreover, the electromagnetic environment can also be manipulated in a photonic crystal nano-cavity to enhance the efficiency of light extraction and emission by the Purcell effect. Germanium is also widely investigated as an active material in Group IV photonics, and novel epitaxial growth technologies are being developed to make a high quality germanium layer on a silicon substrate. To develop a practical germanium laser, various technologies are employed for tensile-stress engineering and high electron doping to compensate the indirect valleys in the conduction band. These challenges are aiming to contribute towards the convergence of electronics and photonics on a silicon chip.

Sweetening ruthenium and osmium: organometallic arene complexes containing aspartame.

Science.gov (United States)

Gray, Jennifer C; Habtemariam, Abraha; Winnig, Marcel; Meyerhof, Wolfgang; Sadler, Peter J

2008-09-01

The novel organometallic sandwich complexes [(eta(6)-p-cymene)Ru(eta(6)-aspartame)](OTf)(2) (1) (OTf = trifluoromethanesulfonate) and [(eta(6)-p-cymene)Os(eta(6)-aspartame)](OTf)(2) (2) incorporating the artificial sweetener aspartame have been synthesised and characterised. A number of properties of aspartame were found to be altered on binding to either metal. The pK(a) values of both the carboxyl and the amino groups of aspartame are lowered by between 0.35 and 0.57 pH units, causing partial deprotonation of the amino group at pH 7.4 (physiological pH). The rate of degradation of aspartame to 3,6-dioxo-5-phenylmethylpiperazine acetic acid (diketopiperazine) increased over threefold from 0.12 to 0.36 h(-1) for 1, and to 0.43 h(-1) for 2. Furthermore, the reduction potential of the ligand shifted from -1.133 to -0.619 V for 2. For the ruthenium complex 1 the process occurred in two steps, the first (at -0.38 V) within a biologically accessible range. This facilitates reactions with biological reductants such as ascorbate. Binding to and activation of the sweet taste receptor was not observed for these metal complexes up to concentrations of 1 mM. The factors which affect the ability of metal-bound aspartame to interact with the receptor site are discussed.

Induced-fit recognition of DNA by organometallic complexes with dynamic stereogenic centers

Czech Academy of Sciences Publication Activity Database

Chen, H.; Parkinson, J. A.; Nováková, Olga; Bella, J.; Wang, F.; Dawson, A.; Gould, R.; Parsons, S.; Brabec, Viktor; Sadler, P. J.

2003-01-01

Roč. 100, č. 25 (2003), s. 14623-14628 ISSN 0027-8424 R&D Projects: GA ČR GA305/02/1552; GA ČR GA305/01/0418; GA AV ČR IAA5004101 Institutional research plan: CEZ:AV0Z5004920 Keywords : organometallic complexes * platinum * DNA Subject RIV: BO - Biophysics Impact factor: 10.272, year: 2003

Organometallic compounds of the lanthanides, actinides and early transition metals

Energy Technology Data Exchange (ETDEWEB)

Cardin, D J [Trinity Coll., Dublin (Ireland); Cotton, S A [Stanground School, Peterborough (UK); Green, M [Bristol Univ. (UK); Labinger, J A [Atlantic Richfield Co., Los Angeles, CA (USA); eds.

1985-01-01

This book provides a reference compilation of physical and biographical data on over 1500 of the most important and useful organometallic compounds of the lanthanides, actinides and early transition metals representing 38 different elements. The compounds are listed in molecular formula order in a series of entries in dictionary format. Details of structure, physical and chemical properties, reactions and key references are clearly set out. All the data is fully indexed and a structural index is provided.

Bioenergetics and ATP Synthesis during Exercise: Role of Group III/IV Muscle Afferents.

Science.gov (United States)

Broxterman, Ryan M; Layec, Gwenael; Hureau, Thomas J; Morgan, David E; Bledsoe, Amber D; Jessop, Jacob E; Amann, Markus; Richardson, Russell S

2017-12-01

The purpose of this study was to investigate the role of the group III/IV muscle afferents in the bioenergetics of exercising skeletal muscle beyond constraining the magnitude of metabolic perturbation. Eight healthy men performed intermittent isometric knee-extensor exercise to task failure at ~58% maximal voluntary contraction under control conditions (CTRL) and with lumbar intrathecal fentanyl to attenuate group III/IV leg muscle afferents (FENT). Intramuscular concentrations of phosphocreatine (PCr), inorganic phosphate (Pi), diprotonated phosphate (H2PO4), adenosine triphosphate (ATP), and pH were determined using phosphorous magnetic resonance spectroscopy (P-MRS). The magnitude of metabolic perturbation was significantly greater in FENT compared with CTRL for [Pi] (37.8 ± 16.8 vs 28.6 ± 8.6 mM), [H2PO4] (24.3 ± 12.2 vs 17.9 ± 7.1 mM), and [ATP] (75.8% ± 17.5% vs 81.9% ± 15.8% of baseline), whereas there was no significant difference in [PCr] (4.5 ± 2.4 vs 4.4 ± 2.3 mM) or pH (6.51 ± 0.10 vs 6.54 ± 0.14). The rate of perturbation in [PCr], [Pi], [H2PO4], and pH was significantly faster in FENT compared with CTRL. Oxidative ATP synthesis was not significantly different between conditions. However, anaerobic ATP synthesis, through augmented creatine kinase and glycolysis reactions, was significantly greater in FENT than in CTRL, resulting in a significantly greater ATP cost of contraction (0.049 ± 0.016 vs 0.038 ± 0.010 mM·min·N). Group III/IV muscle afferents not only constrain the magnitude of perturbation in intramuscular Pi, H2PO4, and ATP during small muscle mass exercise but also seem to play a role in maintaining efficient skeletal muscle contractile function in men.

Control and Characterization of Titanium Dioxide Morphology: Applications in Surface Organometallic Chemistry

KAUST Repository

Jeantelot, Gabriel

2014-05-01

Surface Organometallic Chemistry leads to the combination of the high activity and specificity of homogeneous catalysts with the recoverability and practicality of heterogeneous catalysts. Most metal complexes used in this chemistry are grafted on metal oxide supports such as amorphous silica (SiO2) and γ-alumina (Al2O3). In this thesis, we sought to enable the use of titania (TiO2) as a new support for single-site well-defined grafting of metal complexes. This was achieved by synthesizing a special type of anatase-TiO2, bearing a high density of identical hydroxyl groups, through hydrothermal synthesis then post-treatment under high vacuum followed by oxygen flow, and characterized by several analytical techniques including X-ray diffraction, transmission electron microscopy, infrared spectroscopy and nuclear magnetic resonance. Finally, as a proof of concept, the grafting of vanadium oxychloride (VOCl3) was successfully attempted.

Magnetism in Mn-nanowires and -clusters as δ-doped layers in group IV semiconductors (Si, Ge)

Science.gov (United States)

Simov, K. R.; Glans, P.-A.; Jenkins, C. A.; Liberati, M.; Reinke, P.

2018-01-01

Mn doping of group-IV semiconductors (Si/Ge) is achieved by embedding nanostructured Mn-layers in group-IV matrix. The Mn-nanostructures are monoatomic Mn-wires or Mn-clusters and capped with an amorphous Si or Ge layer. The precise fabrication of δ-doped Mn-layers is combined with element-specific detection of the magnetic signature with x-ray magnetic circular dichroism. The largest moment (2.5 μB/Mn) is measured for Mn-wires with ionic bonding character and a-Ge overlayer cap; a-Si capping reduces the moment due to variations of bonding in agreement with theoretical predictions. The moments in δ-doped layers dominated by clusters is quenched with an antiferromagnetic component from Mn-Mn bonding.

A golden future in medicinal inorganic chemistry : The promise of anticancer gold organometallic compounds

NARCIS (Netherlands)

Bertrand, B.; Casini, A.

2014-01-01

From wedding rings on fingers to stained glass windows, by way of Olympic medals, gold has been highly prized for millennia. Nowadays, organometallic gold compounds occupy an important place in the field of medicinal inorganic chemistry due to their unique chemical properties with respect to gold

Special quasirandom structures for binary/ternary group IV random alloys

KAUST Repository

Chroneos, Alexander I.

2010-06-01

Simulation of defect interactions in binary/ternary group IV semiconductor alloys at the density functional theory level is difficult due to the random distribution of the constituent atoms. The special quasirandom structures approach is a computationally efficient way to describe the random nature. We systematically study the efficacy of the methodology and generate a number of special quasirandom cells for future use. In order to demonstrate the applicability of the technique, the electronic structures of E centers in Si1-xGex and Si1-x -yGexSny alloys are discussed for a range of nearest neighbor environments. © 2010 Elsevier B.V. All rights reserved.

SiP monolayers: New 2D structures of group IV-V compounds for visible-light photohydrolytic catalysts

Science.gov (United States)

Ma, Zhinan; Zhuang, Jibin; Zhang, Xu; Zhou, Zhen

2018-06-01

Because of graphene and phosphorene, two-dimensional (2D) layered materials of group IV and group V elements arouse great interest. However, group IV-V monolayers have not received due attention. In this work, three types of SiP monolayers were computationally designed to explore their electronic structure and optical properties. Computations confirm the stability of these monolayers, which are all indirect-bandgap semiconductors with bandgaps in the range 1.38-2.21 eV. The bandgaps straddle the redox potentials of water at pH = 0, indicating the potential of the monolayers for use as watersplitting photocatalysts. The computed optical properties demonstrate that certain monolayers of SiP 2D materials are absorbers of visible light and would serve as good candidates for optoelectronic devices.

Beyond organometallic flow chemistry : the principles behind the use of continuous-flow reactors for synthesis

NARCIS (Netherlands)

Noel, T.; Su, Y.; Hessel, V.; Noël, T.

2015-01-01

Flow chemistry is typically used to enable challenging reactions which are difficult to carry out in conventional batch equipment. Consequently, the use of continuous-flow reactors for applications in organometallic and organic chemistry has witnessed a spectacular increase in interest from the

Magnetism in Mn-nanowires and -clusters as δ-doped layers in group IV semiconductors (Si, Ge

Directory of Open Access Journals (Sweden)

K. R. Simov

2018-01-01

Full Text Available Mn doping of group-IV semiconductors (Si/Ge is achieved by embedding nanostructured Mn-layers in group-IV matrix. The Mn-nanostructures are monoatomic Mn-wires or Mn-clusters and capped with an amorphous Si or Ge layer. The precise fabrication of δ-doped Mn-layers is combined with element-specific detection of the magnetic signature with x-ray magnetic circular dichroism. The largest moment (2.5 μB/Mn is measured for Mn-wires with ionic bonding character and a-Ge overlayer cap; a-Si capping reduces the moment due to variations of bonding in agreement with theoretical predictions. The moments in δ-doped layers dominated by clusters is quenched with an antiferromagnetic component from Mn–Mn bonding.

First principles-based adsorption comparison of group IV elements (C, Si, Ge, and Sn) on Au(111)/Ag(111) surface

International Nuclear Information System (INIS)

Chakraborty, Sudip; Rajesh, Ch.

2012-01-01

We have reported a first-principle investigation of the structural properties of monomer and dimer for group IV elements (C, Si, Ge, and Sn) adsorbed on the Au(111) and Ag(111) surfaces. The calculations were performed by means of a plane wave based pseudopotential method under the framework of density functional theory. The results reveal the preference of adatom to be adsorbed on the hexagonal closed packed site of the metal (111) surfaces with strong binding energy. The structures introduce interlayer forces in the adsorbate. The strong bonding with the surface atoms is a result of p–d hybridization. The adsorption energy follows a sequence as one goes down in the group IV elements which imply that the interaction of the group IV elements with Au/Ag is decreasing as the atomic number increases.

Selective Organic and Organometallic Reactions in Water-Soluble Host-Guest Supramolecular Systems

Energy Technology Data Exchange (ETDEWEB)

Pluth, Michael D.; Raymond, Kenneth N.; Bergman, Robert G.

2008-02-16

Inspired by the efficiency and selectivity of enzymes, synthetic chemists have designed and prepared a wide range of host molecules that can bind smaller molecules with their cavities; this area has become known as 'supramolecular' or 'host-guest' chemistry. Pioneered by Lehn, Cram, Pedersen, and Breslow, and followed up by a large number of more recent investigators, it has been found that the chemical environment in each assembly - defined by the size, shape, charge, and functional group availability - greatly influences the guest-binding characteristics of these compounds. In contrast to the large number of binding studies that have been carried out in this area, the exploration of chemistry - especially catalytic chemistry - that can take place inside supramolecular host cavities is still in its infancy. For example, until the work described here was carried out, very few examples of organometallic reactivity inside supramolecular hosts were known, especially in water solution. For that reason, our group and the group directed by Kenneth Raymond decided to take advantage of our complementary expertise and attempt to carry out metal-mediated C-H bond activation reactions in water-soluble supramolecular systems. This article begins by providing background from the Raymond group in supramolecular coordination chemistry and the Bergman group in C-H bond activation. It goes on to report the results of our combined efforts in supramolecular C-H activation reactions, followed by extensions of this work into a wider range of intracavity transformations.

Use of ionic liquids as coordination ligands for organometallic catalysts

Science.gov (United States)

Li, Zaiwei [Moreno Valley, CA; Tang, Yongchun [Walnut, CA; Cheng,; Jihong, [Arcadia, CA

2009-11-10

Aspects of the present invention relate to compositions and methods for the use of ionic liquids with dissolved metal compounds as catalysts for a variety of chemical reactions. Ionic liquids are salts that generally are liquids at room temperature, and are capable of dissolving a many types of compounds that are relatively insoluble in aqueous or organic solvent systems. Specifically, ionic liquids may dissolve metal compounds to produce homogeneous and heterogeneous organometallic catalysts. One industrially-important chemical reaction that may be catalyzed by metal-containing ionic liquid catalysts is the conversion of methane to methanol.

Mechanisms of inorganic and organometallic reactions

CERN Document Server

The purpose of this series is to provide a continuing critical review of the literature concerned with mechanistic aspects of inorganic and organo­ metallic reactions in solution, with coverage being complete in each volume. The papers discussed are selected on the basis of relevance to the elucidation of reaction mechanisms and many include results of a nonkinetic nature when useful mechanistic information can be deduced. The period of literature covered by this volume is July 1982 through December 1983, and in some instances papers not available for inclusion in the previous volume are also included. Numerical results are usually reported in the units used by the original authors, except where data from different papers are com­ pared and conversion to common units is necessary. As in previous volumes material included covers the major areas of redox processes, reactions of the nonmetallic elements, reaction of inert and labile metal complexes and the reactions of organometallic compounds. While m...

Probing the chemistry, electronic structure and redox energetics in pentavalent organometallic actinide complexes

Energy Technology Data Exchange (ETDEWEB)

Graves, Christopher R [Los Alamos National Laboratory; Vaughn, Anthony E [Los Alamos National Laboratory; Morris, David E [Los Alamos National Laboratory; Kiplinger, Jaqueline L [Los Alamos National Laboratory

2008-01-01

Complexes of the early actinides (Th-Pu) have gained considerable prominence in organometallic chemistry as they have been shown to undergo chemistries not observed with their transition- or lanthanide metal counterparts. Further, while bonding in f-element complexes has historically been considered to be ionic, the issue of covalence remains a subject of debate in the area of actinide science, and studies aimed at elucidating key bonding interactions with 5f-orbitals continue to garner attention. Towards this end, our interests have focused on the role that metal oxidation state plays in the structure, reactivity and spectral properties of organouranium complexes. We report our progress in the synthesis of substituted U{sup V}-imido complexes using various routes: (1) Direct oxidation of U{sup IV}-imido complexes with copper(I) salts; (2) Salt metathesis with U{sup V}-imido halides; (3) Protonolysis and insertion of an U{sup V}-imido alkyl or aryl complex with H-N{double_bond}CPh{sub 2} or N{triple_bond}C-Ph, respectively, to form a U{sup V}-imido ketimide complex. Further, we report and compare the crystallographic, electrochemical, spectroscopic and magnetic characterization of the pentavalent uranium (C{sub 5}Me{sub 5}){sub 2}U({double_bond}N-Ar)(Y) series (Y = OTf, SPh, C{triple_bond}C-Ph, NPh{sub 2}, OPh, N{double_bond}CPh{sub 2}) to further interrogate the molecular, electronic, and magnetic structures of this new class of uranium complexes.

Covalently-controlled properties by design in group IV graphane analogues.

Science.gov (United States)

Jiang, Shishi; Arguilla, Maxx Q; Cultrara, Nicholas D; Goldberger, Joshua E

2015-01-20

CONSPECTUS: The isolation of graphene has sparked a renaissance in the study of two-dimensional materials. This led to the discovery of new and unique phenomena such as extremely high carrier mobility, thermal conductivity, and mechanical strength not observed in the parent 3D structure. While the emergence of these phenomena has spurred widespread interest in graphene, the paradox between the high-mobility Fermi-Dirac electronic structure and the need for a sizable band gap has challenged its application in traditional semiconductor devices. While graphene is a fascinating and promising material, the limitation of its electronic structure has inspired researchers to explore other 2D materials beyond graphene. In this Account, we summarize our recent work on a new family of two-dimensional materials based on sp(3)-hybridized group IV elements. Ligand-terminated Si, Ge, and Sn graphane analogues are an emerging and unique class of two-dimensional materials that offer the potential to tailor the structure, stability, and properties. Compared with bulk Si and Ge, a direct and larger band gap is apparent in group IV graphane analogues depending on the surface ligand. These materials can be synthesized in gram-scale quantities and in thin films via the topotactic deintercalation of layered Zintl phase precursors. Few layers and single layers can be isolated via manual exfoliation and deintercalation of epitaxially grown Zintl phases on Si/Ge substrates. The presence of a fourth bond on the surface of the layers allows various surface ligand termination with different organic functional groups achieved via conventional soft chemical routes. In these single-atom thick materials, the electronic structure can be systematically controlled by varying the identities of the main group elements and by attaching different surface terminating ligands. In contrast to transition metal dichalcogenides, the weaker interlayer interaction allows the direct band gap single layer

Photophysics of organometallic platinum(II) derivatives of the diketopyrrolopyrrole chromophore

KAUST Repository

Goswami, Subhadip; Winkel, Russell W.; Alarousu, Erkki; Ghiviriga, Ion; Mohammed, Omar F.; Schanze, Kirk S.

2014-01-01

A pair of diketopyrrolopyrrole (DPP) chromophores that are end-functionalized with platinum containing "auxochromes" were subjected to electrochemical and photophysical study. The chromophores contain either platinum acetylide or ortho-metalated 2-thienylpyridinyl(platinum) end-groups (DPP-Pt(CC) and DPP-Pt(acac), respectively). The ground state redox potentials of the chromophores were determined by solution electrochemistry, and the HOMO and LUMO levels were estimated. The chromophores' photophysical properties were characterized by absorption, photoluminescence, and time-resolved absorption spectroscopy on time scales from sub-picoseconds to microseconds. Density functional theory (DFT) computations were performed to understand the molecular orbitals involved in both the singlet and triplet excited state photophysics. The results reveal that in both platinum DPP derivatives the organometallic auxochromes have a significant effect on the chromophores' photophysics. The most profound effect is a reduction in the fluorescence yields accompanied by enhanced triplet yields due to spin-orbit coupling induced by the metal centers. The effects are most pronounced in DPP-Pt(acac), indicating that the orthometalated platinum auxochrome is able to induce spin-orbital coupling to a greater extent compared to the platinum acetylide units. (Figure Presented).

Photophysics of organometallic platinum(II) derivatives of the diketopyrrolopyrrole chromophore

KAUST Repository

Goswami, Subhadip

2014-12-18

A pair of diketopyrrolopyrrole (DPP) chromophores that are end-functionalized with platinum containing "auxochromes" were subjected to electrochemical and photophysical study. The chromophores contain either platinum acetylide or ortho-metalated 2-thienylpyridinyl(platinum) end-groups (DPP-Pt(CC) and DPP-Pt(acac), respectively). The ground state redox potentials of the chromophores were determined by solution electrochemistry, and the HOMO and LUMO levels were estimated. The chromophores\\' photophysical properties were characterized by absorption, photoluminescence, and time-resolved absorption spectroscopy on time scales from sub-picoseconds to microseconds. Density functional theory (DFT) computations were performed to understand the molecular orbitals involved in both the singlet and triplet excited state photophysics. The results reveal that in both platinum DPP derivatives the organometallic auxochromes have a significant effect on the chromophores\\' photophysics. The most profound effect is a reduction in the fluorescence yields accompanied by enhanced triplet yields due to spin-orbit coupling induced by the metal centers. The effects are most pronounced in DPP-Pt(acac), indicating that the orthometalated platinum auxochrome is able to induce spin-orbital coupling to a greater extent compared to the platinum acetylide units. (Figure Presented).

Group IV nanocrystals with ion-exchangeable surface ligands and methods of making the same

Science.gov (United States)

Wheeler, Lance M.; Nichols, Asa W.; Chernomordik, Boris D.; Anderson, Nicholas C.; Beard, Matthew C.; Neale, Nathan R.

2018-01-09

Methods are described that include reacting a starting nanocrystal that includes a starting nanocrystal core and a covalently bound surface species to create an ion-exchangeable (IE) nanocrystal that includes a surface charge and a first ion-exchangeable (IE) surface ligand ionically bound to the surface charge, where the starting nanocrystal core includes a group IV element.

Organometallic Gold(III) Complexes Similar to Tetrahydroisoquinoline Induce ER-Stress-Mediated Apoptosis and Pro-Death Autophagy in A549 Cancer Cells.

Science.gov (United States)

Huang, Ke-Bin; Wang, Feng-Yang; Tang, Xiao-Ming; Feng, Hai-Wen; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong

2018-04-26

Agents inducing both apoptosis and autophagic death can be effective chemotherapeutic drugs. In our present work, we synthesized two organometallic gold(III) complexes harboring C^N ligands that structurally resemble tetrahydroisoquinoline (THIQ): Cyc-Au-1 (AuL 1 Cl 2 , L 1 = 3,4-dimethoxyphenethylamine) and Cyc-Au-2 (AuL 2 Cl 2 , L 2 = methylenedioxyphenethylamine). In screening their in vitro activity, we found both gold complexes exhibited lower toxicity, lower resistance factors, and better anticancer activity than those of cisplatin. The organometallic gold(III) complexes accumulate in mitochondria and induce elevated ROS and an ER stress response through mitochondrial dysfunction. These effects ultimately result in simultaneous apoptosis and autophagy. Importantly, compared to cisplatin, Cyc-Au-2 exhibits lower toxicity and better anticancer activity in a murine tumor model. To the best of our knowledge, Cyc-Au-2 is the first organometallic Au(III) compound that induces apoptosis and autophagic death. On the basis of our results, we believe Cyc-Au-2 to be a promising anticancer agent or lead compound for further anticancer drug development.

Electromagnetic field enhancement effects in group IV semiconductor nanowires. A Raman spectroscopy approach

Science.gov (United States)

Pura, J. L.; Anaya, J.; Souto, J.; Prieto, A. C.; Rodríguez, A.; Rodríguez, T.; Periwal, P.; Baron, T.; Jiménez, J.

2018-03-01

Semiconductor nanowires (NWs) are the building blocks of future nanoelectronic devices. Furthermore, their large refractive index and reduced dimension make them suitable for nanophotonics. The study of the interaction between nanowires and visible light reveals resonances that promise light absorption/scattering engineering for photonic applications. Micro-Raman spectroscopy has been used as a characterization tool for semiconductor nanowires. The light/nanowire interaction can be experimentally assessed through the micro-Raman spectra of individual nanowires. As compared to both metallic and dielectric nanowires, semiconductor nanowires add additional tools for photon engineering. In particular, one can grow heterostructured nanowires, both axial and radial, and also one could modulate the doping level and the surface condition among other factors than can affect the light/NW interaction. We present herein a study of the optical response of group IV semiconductor nanowires to visible photons. The study is experimentally carried out through micro-Raman spectroscopy of different group IV nanowires, both homogeneous and axially heterostructured (SiGe/Si). The results are analyzed in terms of the electromagnetic modelling of the light/nanowire interaction using finite element methods. The presence of axial heterostructures is shown to produce electromagnetic resonances promising new photon engineering capabilities of semiconductor nanowires.

Formyl-ended heterobifunctional poly(ethylene oxide): synthesis of poly(ethylene oxide) with a formyl group at one end and a hydroxyl group at the other end.

Science.gov (United States)

Nagasaki, Y; Kutsuna, T; Iijima, M; Kato, M; Kataoka, K; Kitano, S; Kadoma, Y

1995-01-01

Well-defined poly(ethylene oxide) (PEO) with a formyl group at one end and a hydroxyl group at the other terminus was synthesized by the anionic ring opening polymerization of ethylene oxide (EO) with a new organometallic initiator possessing an acetal moiety, potassium 3,3-diethoxypropyl alkoxide. Hydrolysis of the acetal moiety produced a formyl group-terminated heterobifunctional PEO with a hydroxyl group at the other end.

Monolithic nanoscale photonics-electronics integration in silicon and other group IV elements

CERN Document Server

Radamson, Henry

2014-01-01

Silicon technology is evolving rapidly, particularly in board-to-board or chip-to chip applications. Increasingly, the electronic parts of silicon technology will carry out the data processing, while the photonic parts take care of the data communication. For the first time, this book describes the merging of photonics and electronics in silicon and other group IV elements. It presents the challenges, the limitations, and the upcoming possibilities of these developments. The book describes the evolution of CMOS integrated electronics, status and development, and the fundamentals of silicon p

Design of supported bi-metallic nanoparticles based on Platinum and Palladium using Surface Organometallic Chemistry (SOMC)

KAUST Repository

Al-Shareef, Reem A.

2017-01-01

Well-defined silica supported bimetallic catalysts Pt100-x Pdx (where x is the molar ratio of Pd) are prepared by Surface Organometallic Chemistry (SOMC) via controlled decomposition of Pd2(allyl)2Cl2 on Pt/SiO2. For comparison purposes, Pt100-x Pdx

Two-dimensional multiferroics in monolayer group IV monochalcogenides

Science.gov (United States)

Wang, Hua; Qian, Xiaofeng

2017-03-01

Low-dimensional multiferroic materials hold great promises in miniaturized device applications such as nanoscale transducers, actuators, sensors, photovoltaics, and nonvolatile memories. Here, using first-principles theory we predict that two-dimensional (2D) monolayer group IV monochalcogenides including GeS, GeSe, SnS, and SnSe are a class of 2D semiconducting multiferroics with giant strongly-coupled in-plane spontaneous ferroelectric polarization and spontaneous ferroelastic lattice strain that are thermodynamically stable at room temperature and beyond, and can be effectively modulated by elastic strain engineering. Their optical absorption spectra exhibit strong in-plane anisotropy with visible-spectrum excitonic gaps and sizable exciton binding energies, rendering the unique characteristics of low-dimensional semiconductors. More importantly, the predicted low domain wall energy and small migration barrier together with the coupled multiferroic order and anisotropic electronic structures suggest their great potentials for tunable multiferroic functional devices by manipulating external electrical, mechanical, and optical field to control the internal responses, and enable the development of four device concepts including 2D ferroelectric memory, 2D ferroelastic memory, and 2D ferroelastoelectric nonvolatile photonic memory as well as 2D ferroelectric excitonic photovoltaics.

A paradigm shift for radical SAM reactions: The organometallic intermediate Ω is central to catalysis.

Science.gov (United States)

Byer, Amanda S; Yang, Hao; McDaniel, Elizabeth C; Kathiresan, Venkatesan; Impano, Stella; Pagnier, Adrien; Watts, Hope; Denler, Carly; Vagstad, Anna; Piel, Jörn; Duschene, Kaitlin S; Shepard, Eric M; Shields, Thomas P; Scott, Lincoln G; Lilla, Edward A; Yokoyama, Kenichi; Broderick, William E; Hoffman, Brian M; Broderick, Joan B

2018-06-28

Radical S-adenosyl-L-methionine (SAM) en-zymes comprise a vast superfamily catalyzing diverse reactions essential to all life through ho-molytic SAM cleavage to liberate the highly-reactive 5-deoxyadenosyl radical (5-dAdo•). Our recent observation of a catalytically compe-tent organometallic intermediate Ω that forms dur-ing reaction of the radical SAM (RS) enzyme py-ruvate formate-lyase activating-enzyme (PFL-AE) was therefore quite surprising, and led to the question of its broad relevance in the superfamily. We now show that Ω in PFL-AE forms as an in-termediate under a variety of mixing order condi-tions, suggesting it is central to catalysis in this enzyme. We further demonstrate that Ω forms in a suite of RS enzymes chosen to span the totality of superfamily reaction types, implicating Ω as essential in catalysis across the RS superfamily. Finally, EPR and electron nuclear double reso-nance spectroscopy establish that Ω involves an Fe-C5 bond between 5-dAdo• and the [4Fe-4S] cluster. An analogous organometallic bond is found in the well-known adenosylcobalamin (co-enzyme B12) cofactor used to initiate radical reac-tions via a 5'-dAdo• intermediate. Generation of a 5'-dAdo• intermediate via homolytic metal-carbon bond cleavage thus appears to be similar for Ω and coenzyme B12. However coenzyme B12 is involved in enzymes catalyzing of only a small number (~12) of distinct reactions, while the RS superfamily has more than 100,000 distinct se-quences and over 80 reaction types character-ized to date. The appearance of Ω across the RS superfamily therefore dramatically enlarges the sphere of bio-organometallic chemistry in Nature.

Heteroepitaxy of zinc-blende SiC nano-dots on Si substrate by organometallic ion beam

International Nuclear Information System (INIS)

Matsumoto, T.; Kiuchi, M.; Sugimoto, S.; Goto, S.

2006-01-01

The self-assembled SiC nano-dots were fabricated on Si(111) substrate at low-temperatures using the organometallic ion beam deposition technique. The single precursor of methylsilicenium ions (SiCH 3 + ) with the energy of 100 eV was deposited on Si(111) substrate at 500, 550 and 600 deg. C. The characteristics of the self-assembled SiC nano-dots were analyzed by reflection high-energy electron diffraction (RHEED), Raman spectroscopy and atomic force microscope (AFM). The RHEED patterns showed that the crystal structure of the SiC nano-dots formed on Si(111) substrate was zinc-blende SiC (3C-SiC) and it was heteroepitaxy. The self-assembled SiC nano-dots were like a dome in shape, and their sizes were the length of 200-300 nm and the height of 10-15 nm. Despite the low-temperature of 500 deg. C as SiC crystallization the heteroepitaxial SiC nano-dots were fabricated on Si(111) substrate using the organometallic ion beam

NATO Advanced Research Workshop on the Mechanisms of Reactions of Organometallic Compounds with Surfaces

CERN Document Server

Williams, J

1989-01-01

A NATO Advanced Research Workshop on the "Mechanisms of Reactions of Organometallic Compounds with Surfaces" was held in St. Andrews, Scotland in June 1988. Many of the leading international researchers in this area were present at the workshop and all made oral presentations of their results. In addition, significant amounts of time were set aside for Round Table discussions, in which smaller groups considered the current status of mechanistic knowledge, identified areas of dispute or disagreement, and proposed experiments that need to be carried out to resolve such disputes so as to advance our understanding of this important research area. All the papers presented at the workshop are collected in this volume, together with summaries of the conclusions reached at the Round Table discussions. The workshop could not have taken place without financial support from NATO, and donations were also received from Associated Octel, Ltd., STC Ltd., and Epichem Ltd., for which the organisers are very grateful. The orga...

Structure of organometallic compounds obtained by plasma of titanium isopropoxide

International Nuclear Information System (INIS)

Arreola R, M. L.

2012-01-01

This work presents a study on the synthesis and characterization of organometallic compounds of titanium oxide obtained from glow discharges of titanium tetraisopropoxide (TTIP) and water on glass and polyethylene. The objective is the synthesis of titanium oxide particles which can be fixed on different supports for use in further studies of contaminants degradation in effluent streams. The synthesis was carried out by plasma in a glass tubular reactor of 750 cm 3 and 15 cm length at 10 -1 mbar with power between 100 and 150 W during 2, 3 and 4 h. The precursors were TTIP and water vapor. TTIP is an organometallic compound composed of a central atom of Ti surrounded by 4 O atoms, which in turn are connected with chains of 3 C (propane s). The objective is the use of plasma collisions to separate the organic and inorganic phases of TTIP, so that both structure independently in a single material. The result was the formation of white titanium oxide powder composed with agglomerates of spherical particles with average diameter between 160 and 452 nm adhered to small films. The agglomerates have a tendency to change from film to particles with the energy applied to the synthesis. The study of the chemical structure showed a great presence of O 2 -Ti-O 2 (Ti surrounded by O) which can be found in most titanium oxides. Other chemical groups belonging to the organic phase were C=C=C, C=C=O and C 2 -C-Ch appearing from the dehydrogenation of TTIP, which can be a possible precursor of this reactions kind. The structural superficial analyses showed that the atomic composition varies according to type of substrate used. The greatest content of Ti was obtained on glass substrates. However, the synthesis conditions had not evident effect in the participation of chemical states found in the inorganic phase. The crystalline studies indicated that the material is amorphous, although the de convoluted X-ray spectra showed that the synthesized titanium oxides on glass tend to

The Kubo-Greenwood spin-dependent electrical conductivity of 2D transition-metal dichalcogenides and group-IV materials: A Green's function study

Science.gov (United States)

Hoi, Bui Dinh; Yarmohammadi, Mohsen

2018-04-01

The spin-dependent electrical conductivity of counterparts of graphene, transition-metal dichalcogenides (TMDs) and group-IV nanosheets, have investigated by a magnetic exchange field (MEF)-induction to gain the electronic transport properties of charge carriers. We have implemented a k.p Hamiltonian model through the Kubo-Greenwood formalism in order to address the dynamical behavior of correlated Dirac fermions. Tuning the MEF enables one to control the effective mass of carriers in group-IV and TMDs, differently. We have found the Dirac-like points in a new quantum anomalous Hall (QAH) state at strong MEFs for both structures. For both cases, a broad peak in electrical conductivity originated from the scattering rate and entropy is observed. Spin degeneracy at some critical MEFs is another remarkable point. We have found that in the limit of zero or uniform MEFs with respect to the spin-orbit interaction, the large resulting electrical conductivity depends on the spin sub-bands in group-IV and MLDs. Featuring spin-dependent electronic transport properties, one can provide a new scenario for future possible applications.

Organic or organometallic template mediated clay synthesis

Science.gov (United States)

Gregar, Kathleen C.; Winans, Randall E.; Botto, Robert E.

1994-01-01

A method for incorporating diverse Varieties of intercalants or templates directly during hydrothermal synthesis of clays such as hectorite or montmorillonite-type layer-silicate clays. For a hectorite layer-silicate clay, refluxing a gel of silica sol, magnesium hydroxide sol and lithium fluoride for two days in the presence of an organic or organometallic intercalant or template results in crystalline products containing either (a) organic dye molecules such as ethyl violet and methyl green, (b) dye molecules such as alcian blue that are based on a Cu(II)-phthalocyannine complex, or (c) transition metal complexes such as Ru(II)phenanthroline and Co(III)sepulchrate or (d) water-soluble porphyrins and metalloporphyrins. Montmorillonite-type clays are made by the method taught by U.S. Pat. No. 3,887,454 issued to Hickson, Jun. 13, 1975; however, a variety of intercalants or templates may be introduced. The intercalants or templates should have (i) water-solubility, (ii) positive charge, and (iii) thermal stability under moderately basic (pH 9-10) aqueous reflux conditions or hydrothermal pressurized conditions for the montmorillonite-type clays.

Theoretical study of the structure and reactivity of lanthanide and actinide based organometallic complexes; Etude theorique de la structure et de la reactivite de complexes organometalliques de lanthanides et d'actinides

Energy Technology Data Exchange (ETDEWEB)

Barros, N

2007-06-15

In this PhD thesis, lanthanide and actinide based organometallic complexes are studied using quantum chemistry methods. In a first part, the catalytic properties of organo-lanthanide compounds are evaluated by studying two types of reactions: the catalytic hydro-functionalization of olefins and the polymerisation of polar monomers. The reaction mechanisms are theoretically determined and validated, and the influence of possible secondary non productive reactions is envisaged. A second part focuses on uranium-based complexes. Firstly, the electronic structure of uranium metallocenes is analysed. An analogy with the uranyl compounds is proposed. In a second chapter, two isoelectronic complexes of uranium IV are studied. After validating the use of DFT methods for describing the electronic structure and the reactivity of these compounds, it is shown that their reactivity difference can be related to a different nature of chemical bonding in these complexes. (author)

PREPARATION OF TANTALUM CARBIDE FROM AN ORGANOMETALLIC PRECURSOR

Directory of Open Access Journals (Sweden)

C. P. SOUZA

1999-03-01

Full Text Available In this work we have synthesized an organometallic oxalic precursor from tantalum oxide. This oxide was solubilized by heating with potassium hydrogen sulfate. In order to precipitate Ta2O5.nH2O, the fused mass obtained was dissolved in a sulfuric acid solution and neutralized with ammonia. The hydrated tantalum oxide precipitated was dissolved in an equimolar solution of oxalic acid/ammonium oxalate. The synthesis and the characterization of the tantalum oxalic precursor are described. Pyrolysis of the complex in a mixture of hydrogen and methane at atmospheric pressure was studied. The gas-solid reaction made it possible to obtain tantalum carbide, TaC, in the powder form at 1000oC. The natural sintering of TaC powder in an inert atmosphere at 1400°C during 10 hours, under inert atmosphere made it possible to densify the carbide to 96% of the theoretical value.

Astragaloside IV liposomes ameliorates adriamycin-induced ...

African Journals Online (AJOL)

Methods: The rats were given a single tail intravenous injection of adriamycin (6 mg/kg) within 1 week, and then divided into four groups including normal, model, benazepril and astragaloside IV liposomes group. They were all orally administered dosage of benazepril and astragaloside IV liposomes once daily for 8 weeks.

Incorporation of sulfate or selenate groups into oxotellurates(IV). I. Calcium, cadmium, and strontium compounds

International Nuclear Information System (INIS)

Weil, Matthias; Shirkhanlou, Mahdi

2017-01-01

Seven new mixed oxochalcogenate compounds in the systems M II /X VI /Te IV /O/(H), (M II = Ca, Cd, Sr; X VI = S, Se) were obtained under hydrothermal conditions (210 C, one week). Crystal structure determinations based on single-crystal X-ray diffraction data revealed the compositions Ca 3 (SeO 4 )(TeO 3 ) 2 , Ca 3 (SeO 4 )(Te 3 O 8 ), Cd 3 (SeO 4 )(Te 3 O 8 ), Cd 3 (H 2 O)(SO 4 )(Te 3 O 8 ), Cd 4 (SO 4 )(TeO 3 ) 3 , Cd 5 (SO 4 ) 2 (TeO 3 ) 2 (OH) 2 , and Sr 3 (H 2 O) 2 (SeO 4 )(TeO 3 ) 2 for these phases. Peculiar features of the crystal structures of Ca 3 (SeO 4 )(TeO 3 ) 2 , Ca 3 (SeO 4 )(Te 3 O 8 ), Cd 3 (SeO 4 )(Te 3 O 8 ), Cd 3 (H 2 O)(SO 4 )(Te 3 O 8 ), and Sr 3 (H 2 O) 2 (SeO 4 )(TeO 3 ) 2 are metal-oxotellurate(IV) layers connected by bridging XO 4 tetrahedra and/or by hydrogen-bonding interactions involving hydroxyl or water groups, whereas Cd 4 (SO 4 )(TeO 3 ) 3 and Cd 5 (SO 4 ) 2 (TeO 3 ) 2 (OH) 2 crystallize as framework structures. Common to all crystal structures is the stereoactivity of the Te IV electron lone pair for each oxotellurate(IV) unit, pointing either into the inter-layer space, or into channels and cavities in the crystal structures. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Computations of nuclear response functions with MACK-IV

International Nuclear Information System (INIS)

Abdou, M.A.; Gohar, Y.

1978-01-01

The MACK computer program calculates energy pointwise and multigroup nuclear response functions from basic nuclear data in ENDF/B format. The new version of the program, MACK-IV, incorporates major developments and improvements aimed at maximizing the utilization of available nuclear data and ensuring energy conservation in nuclear heating calculations. A new library, MACKLIB-IV, of nuclear response functions was generated in the CTR energy group structure of 171 neutron groups and 36 gamma groups. The library was prepared using MACK-IV and ENDF/B-IV and is suitable for fusion, fusion-fission hybrids, and fission applications

Computations of nuclear response functions with MACK-IV

Energy Technology Data Exchange (ETDEWEB)

Abdou, M A; Gohar, Y

1978-01-01

The MACK computer program calculates energy pointwise and multigroup nuclear response functions from basic nuclear data in ENDF/B format. The new version of the program, MACK-IV, incorporates major developments and improvements aimed at maximizing the utilization of available nuclear data and ensuring energy conservation in nuclear heating calculations. A new library, MACKLIB-IV, of nuclear response functions was generated in the CTR energy group structure of 171 neutron groups and 36 gamma groups. The library was prepared using MACK-IV and ENDF/B-IV and is suitable for fusion, fusion-fission hybrids, and fission applications.

Electroluminescence Properties of IrQ(ppy)2 Dual-Emitter Organometallic Compound in Organic Light-Emitting Devices

Science.gov (United States)

Ciobotaru, Constantin Claudiu; Polosan, Silviu; Ciobotaru, Iulia Corina

2018-02-01

This paper reports the influence of the charge carrier mobility on the electroluminescent properties of a dual-emitter organometallic compound dispersed in two conjugated organic small-molecule host materials and embedded in organic light-emitting devices (OLEDs). The electroluminescent processes in OLEDs are strongly influenced by the host-guest interaction. The charge carrier mobility in the host material plays an important role in the electroluminescent processes but also depends on the triplet-triplet interaction with the organometallic compound. The low charge carrier mobility in 4,4'-bis( N-carbazolyl)-1,1'-biphenyl (CBP) host material reduces the electroluminescent processes, but they are slightly enhanced by the triplet-triplet exothermic charge transfer. The higher charge carrier mobility in the case of N, N'-bis(3-methylphenyl)- N, N'-diphenylbenzidine (TPD) host material influences the electroluminescent processes by the endothermic energy transfer at room temperature, which facilitates the triplet-triplet harvesting in the host-guest system. The excitation is transferred to the guest molecules by triplet-triplet interaction as a Dexter transfer, which occurs by endothermic transfer from the triplet exciton in the host to the triplet exciton in the guest.

The optical characterization of organometallic complex thin films by spectroscopic ellipsometry and photovoltaic diode application

International Nuclear Information System (INIS)

Özaydın, C.; Güllü, Ö.; Pakma, O.; Ilhan, S.; Akkılıç, K.

2016-01-01

Highlights: • Optical properties and thickness of the A novel organometallic complex (OMC) film were investigated by spectroscopic ellipsometry (SE). • Au/OMC/n-Si metal/interlayer/semiconductor (MIS) diode has been fabricated • This paper presents the I–V analysis of Au/OMC/n-Si MIS diode. • Current–voltage and photovoltaic properties of the diode were investigated. - Abstract: In this work, organometallic complex (OMC) films have been deposited onto glass or silicon substrates by spin coating technique and their photovoltaic application potential has been investigated. Optical properties and thickness of the film have been investigated by spectroscopic ellipsometry (SE). Also, transmittance spectrum has been taken by UV/vis spectrophotometer. The optical method has been used to determine the band gap value of the films. Also, Au/OMC/n-Si metal/interlayer/semiconductor (MIS) diode has been fabricated. Current–voltage and photovoltaic properties of the structure were investigated. The ideality factor (n) and barrier height (Φ_b) values of the diode were found to be 2.89 and 0.79 eV, respectively. The device shows photovoltaic behavior with a maximum open-circuit voltage of 396 mV and a short circuit current of 33.8 μA under 300 W light.

The optical characterization of organometallic complex thin films by spectroscopic ellipsometry and photovoltaic diode application

Energy Technology Data Exchange (ETDEWEB)

Özaydın, C. [Batman University, Engineering Faculty, Department of Computer Eng., Batman (Turkey); Güllü, Ö., E-mail: omergullu@gmail.com [Batman University, Science and Art Faculty, Department of Physics, Batman (Turkey); Pakma, O. [Batman University, Science and Art Faculty, Department of Physics, Batman (Turkey); Ilhan, S. [Siirt University, Science and Art Faculty, Department of Chemistry, Siirt (Turkey); Akkılıç, K. [Dicle University, Education Faculty, Department of Physics Education, Diyarbakır (Turkey)

2016-05-15

Highlights: • Optical properties and thickness of the A novel organometallic complex (OMC) film were investigated by spectroscopic ellipsometry (SE). • Au/OMC/n-Si metal/interlayer/semiconductor (MIS) diode has been fabricated • This paper presents the I–V analysis of Au/OMC/n-Si MIS diode. • Current–voltage and photovoltaic properties of the diode were investigated. - Abstract: In this work, organometallic complex (OMC) films have been deposited onto glass or silicon substrates by spin coating technique and their photovoltaic application potential has been investigated. Optical properties and thickness of the film have been investigated by spectroscopic ellipsometry (SE). Also, transmittance spectrum has been taken by UV/vis spectrophotometer. The optical method has been used to determine the band gap value of the films. Also, Au/OMC/n-Si metal/interlayer/semiconductor (MIS) diode has been fabricated. Current–voltage and photovoltaic properties of the structure were investigated. The ideality factor (n) and barrier height (Φ{sub b}) values of the diode were found to be 2.89 and 0.79 eV, respectively. The device shows photovoltaic behavior with a maximum open-circuit voltage of 396 mV and a short circuit current of 33.8 μA under 300 W light.

Group IV Materials for High Performance Methane Sensing in Novel Slot Optical Waveguides at 2.883 μm and 3.39 μm

Directory of Open Access Journals (Sweden)

Vittorio M. N. PASSARO

2012-03-01

Full Text Available In this paper a detailed investigation of novel photonic sensors based on slot waveguides has been carried out. Appropriate alloys of group IV materials, such as germanium (Ge, silicon (Si, carbon (C and tin (Sn, are applied in silicon-on-insulator (SOI technology for homogeneous optical sensing at 2.883 µm and 3.39 μm. Electronic and optical properties of group IV alloys have been investigated. In addition, we have designed novel group IV vertical slot waveguides in order to achieve ultra-high sensitivities, as well as good fabrication tolerances. All these features have been compared with well-known SOI slot waveguides for optical label-free homogeneous sensing at 1.55 µm. In conclusion, theoretical investigation of ring resonators based on these novel slot waveguides has revealed very good results in terms of ultra high sensing performance of methane gas, i.e., limit of detection ~ 3.6×10-5 RIU and wavelength sensitivity > 2×103 nm/RIU.

Fe concentration dependence of tunneling magnetoresistance in magnetic tunnel junctions using group-IV ferromagnetic semiconductor GeFe

Directory of Open Access Journals (Sweden)

Kosuke Takiguchi

2017-10-01

Full Text Available Group-IV-based ferromagnetic semiconductor Ge1−xFex (GeFe is one of the most promising materials for spin injection/detection in Si and Ge. In this paper, we demonstrate a systematic study of tunneling magnetoresistance (TMR in magnetic tunnel junctions (MTJs composed of Fe/MgO/Ge1−xFex with various Fe concentrations (x = 0.065, 0.105, 0.140, and 0.175. With increasing x, the TMR ratio increases up to 1.5% when x≤ 0.105, and it decreases when x> 0.105. This is the first observation of the TMR ratio over 1% in MTJs containing a group-IV ferromagnetic semiconductor. With increasing x, while the Curie temperature of GeFe increases, the MgO surface becomes rougher, which is thought to be the cause of the upper limit of the TMR ratio. The quality of the MgO layer on GeFe is an important factor for further improvement of TMR in Fe/MgO/GeFe MTJs.

Generic process for preparing a crystalline oxide upon a group IV semiconductor substrate

Science.gov (United States)

McKee, Rodney A.; Walker, Frederick J.; Chisholm, Matthew F.

2000-01-01

A process for growing a crystalline oxide epitaxially upon the surface of a Group IV semiconductor, as well as a structure constructed by the process, is described. The semiconductor can be germanium or silicon, and the crystalline oxide can generally be represented by the formula (AO).sub.n (A'BO.sub.3).sub.m in which "n" and "m" are non-negative integer repeats of planes of the alkaline earth oxides or the alkaline earth-containing perovskite oxides. With atomic level control of interfacial thermodynamics in a multicomponent semiconductor/oxide system, a highly perfect interface between a semiconductor and a crystalline oxide can be obtained.

A first-principles study of group IV and VI atoms doped blue phosphorene

Science.gov (United States)

Bai, Ruimin; Chen, Zheng; Gou, Manman; Zhang, Yixin

2018-02-01

Using first-principles calculations, we have systematically investigated the structural, electronic and magnetic properties of blue phosphorene doped by group IV and VI atoms, including C, Si, Ge, Sn, O, S, Se and Te. All the doped systems are energetically stable. Only C, Si, Ge and O-substituted systems show the characteristics of spin polarization and the magnetic moments are all 1.0 μB. Moreover, we found that C, Si, Ge and O doped systems are indirect bandgap semiconductors, while Sn, S, Se and Te doped systems present metallic property. These results show that blue phosphorene can be used prospectively in optoelectronic and spintronic devices.

Understanding organometallic reaction mechanisms and catalysis experimental and computational tools computational and experimental tools

CERN Document Server

Ananikov, Valentin P

2014-01-01

Exploring and highlighting the new horizons in the studies of reaction mechanisms that open joint application of experimental studies and theoretical calculations is the goal of this book. The latest insights and developments in the mechanistic studies of organometallic reactions and catalytic processes are presented and reviewed. The book adopts a unique approach, exemplifying how to use experiments, spectroscopy measurements, and computational methods to reveal reaction pathways and molecular structures of catalysts, rather than concentrating solely on one discipline. The result is a deeper

IGORR-IV: Proceedings of the fourth meeting of the International Group On Research Reactors

International Nuclear Information System (INIS)

Rosenbalm, K.F.

1995-01-01

The fourth meeting of the International Group on Research Reactors (IGORR-IV) was attended by was good 55 registered participants from 28 organizations in 13 countries, which compares well with the previous meetings. Twenty-nine papers were presented in five sessions over the two-day meeting. Session subjects were: Operating Research Reactors and Facility Upgrades; Research Reactors in Desin and Construction; Research, Development, and Analysis Results of Thermal Hydraulic Calculations, U 3 Si 2 Fuel Performance and Faibrication; Structural Materials Performance; Neutronics; Severe Accident analysis. Written versions of the papers or hard copies of the viewgraphs used are published in these Proceedings

Occurrences of flares with type II and IV radio events in interacting sunspot groups in the course of revolutions

International Nuclear Information System (INIS)

Klimes, J.; Krivsky, L.

1984-01-01

Using data from 11-year solar cycle No. 20, it was found that flares with type II radio bursts are more than twice as frequent and flares with type IV bursts nearly twice as frequent in sunspot groups which developed close to each other or which merged in the course of revolutions than in isolated sunspot groups. With both types the occurrence of these flares is concentrated in the revolution of the so-called sunspot group interaction (their approximation, merging). (author)

Structure and magnetism in novel group IV element-based magnetic materials

Energy Technology Data Exchange (ETDEWEB)

Tsui, Frank [Univ. of North Carolina, Chapel Hill, NC (United States)

2013-08-14

The project is to investigate structure, magnetism and spin dependent states of novel group IV element-based magnetic thin films and heterostructures as a function of composition and epitaxial constraints. The materials systems of interest are Si-compatible epitaxial films and heterostructures of Si/Ge-based magnetic ternary alloys grown by non-equilibrium molecular beam epitaxy (MBE) techniques, specifically doped magnetic semiconductors (DMS) and half-metallic Heusler alloys. Systematic structural, chemical, magnetic, and electrical measurements are carried out, using x-ray microbeam techniques, magnetotunneling spectroscopy and microscopy, and magnetotransport. The work is aimed at elucidating the nature and interplay between structure, chemical order, magnetism, and spin-dependent states in these novel materials, at developing materials and techniques to realize and control fully spin polarized states, and at exploring fundamental processes that stabilize the epitaxial magnetic nanostructures and control the electronic and magnetic states in these complex materials. Combinatorial approach provides the means for the systematic studies, and the complex nature of the work necessitates this approach.

Organometallic approach to polymer-protected antibacterial silver nanoparticles: optimal nanoparticle size-selection for bacteria interaction

Energy Technology Data Exchange (ETDEWEB)

Crespo, Julian; Garcia-Barrasa, Jorge; Lopez-de-Luzuriaga, Jose M.; Monge, Miguel, E-mail: miguel.monge@unirioja.es; Olmos, M. Elena [Universidad de La Rioja, Centro de Investigacion en Sintesis Quimica (CISQ), Departamento de Quimica (Spain); Saenz, Yolanda; Torres, Carmen [Centro de Investigacion Biomedica de La Rioja, Area de Microbiologia Molecular (Spain)

2012-12-15

The optimal size-specific affinity of silver nanoparticles (Ag NPs) towards E. coli bacteria has been studied. For this purpose, Ag NPs coated with polyvinylpyrrolidone (PVP) and cellulose acetate (CA) have been prepared using an organometallic approach. The complex NBu{sub 4}[Ag(C{sub 6}F{sub 5}){sub 2}] has been treated with AgClO{sub 4} in a 1:1 molar ratio giving rise to the nanoparticle precursor [Ag(C{sub 6}F{sub 5})] in solution. Addition of an excess of PVP (1) or CA (2) and 5 h of reflux in tetrahydrofuran (THF) at 66 Degree-Sign C leads to Ag NPs of small size (4.8 {+-} 3.0 nm for PVP-Ag NPs and 3.0 {+-} 1.2 nm for CA-Ag NPs) that coexist in both cases with larger nanoparticles between 7 and 25 nm. Both nanomaterials display a high antibacterial effectiveness against E. coli. The TEM analysis of the nanoparticle-bacterial cell membrane interaction shows an optimal size-specific affinity for PVP-Ag NPs of 5.4 {+-} 0.7 nm in the presence of larger size silver nanoparticles.Graphical AbstractAn organometallic approach permits the synthesis of small size silver nanoparticles (ca 5 nm) as a main population in the presence of larger size nanoparticles. Optimal silver nanoparticle size-selection (5.4 nm) for the interaction with the bacterial membrane is achieved.

Zigzag-shaped nickel nanowires via organometallic template-free route

Energy Technology Data Exchange (ETDEWEB)

Shviro, Meital; Paszternak, Andras [Bar Ilan Institute of Nanotechnology and Advanced Materials (BINA), Bar Ilan University, Department of Chemistry (Israel); Chelly, Avraham [Bar Ilan Institute of Nanotechnology and Advanced Materials (BINA), Bar Ilan University, Department of Engineering (Israel); Zitoun, David, E-mail: david.zitoun@biu.ac.il [Bar Ilan Institute of Nanotechnology and Advanced Materials (BINA), Bar Ilan University, Department of Chemistry (Israel)

2013-08-15

In this manuscript, the formation of nickel nanowires of 10-20 nm in diameter (average size: several tens to hundreds of {mu}m long and 1.0-1.5 {mu}m wide) at low temperature is found to be driven by dewetting of liquid organometallic precursors during spin-coating process and by self-assembly of Ni clusters. Elaboration of metallic thin films by low-temperature deposition technique makes the preparation process compatible with most of the substrates. The use of iron and cobalt precursor shows that the process could be extended to other metallic systems. In this work, AFM and SEM are used to follow the assembly of Ni clusters into straight or zigzag lines. The formation of zigzag structure is specific to the Ni precursor at appropriate preparation parameters. This template-free process allows a control of anisotropic structures with homogeneous sizes and angles on the standard Si/SiO{sub 2} surface.

Phase Transition Enthalpy Measurements of Organic and Organometallic Compounds. Sublimation, Vaporization and Fusion Enthalpies From 1880 to 2015. Part 1. C1 - C10

Science.gov (United States)

Acree, William; Chickos, James S.

2016-09-01

A compendium of phase change enthalpies published in 2010 is updated to include the period 1880-2015. Phase change enthalpies including fusion, vaporization, and sublimation enthalpies are included for organic, organometallic, and a few inorganic compounds. Part 1 of this compendium includes organic compounds from C1 to C10. Part 2 of this compendium, to be published separately, will include organic and organometallic compounds from C11 to C192. Sufficient data are presently available to permit thermodynamic cycles to be constructed as an independent means of evaluating the reliability of the data. Temperature adjustments of phase change enthalpies from the temperature of measurement to the standard reference temperature, T = 298.15 K, and a protocol for doing so are briefly discussed.

Understanding the electron-stimulated surface reactions of organometallic complexes to enable design of precursors for electron beam-induced deposition

Energy Technology Data Exchange (ETDEWEB)

Spencer, Julie A.; Rosenberg, Samantha G.; Barclay, Michael; Fairbrother, D. Howard [Johns Hopkins University, Department of Chemistry, Baltimore, MD (United States); Wu, Yung-Chien; McElwee-White, Lisa [University of Florida, Department of Chemistry, Gainesville, FL (United States)

2014-12-15

Standard practice in electron beam-induced deposition (EBID) is to use precursors designed for thermal processes, such as chemical vapor deposition (CVD). However, organometallic precursors that yield pure metal deposits in CVD often create EBID deposits with high levels of organic contamination. This contamination negatively impacts the deposit's properties (e.g., by increasing resistivity or decreasing catalytic activity) and severely limits the range of potential applications for metal-containing EBID nanostructures. To provide the information needed for the rational design of precursors specifically for EBID, we have employed an ultra-high vacuum (UHV) surface science approach to identify the elementary reactions of organometallic precursors during EBID. These UHV studies have demonstrated that the initial electron-induced deposition of the surface-bound organometallic precursors proceeds through desorption of one or more of the ligands present in the parent compound. In specific cases, this deposition step has been shown to proceed via dissociative electron attachment, involving low-energy secondary electrons generated by the interaction of the primary beam with the substrate. Electron beam processing of the surface-bound species produced in the initial deposition event usually causes decomposition of the residual ligands, creating nonvolatile fragments. This process is believed to be responsible for a significant fraction of the organic contaminants typically observed in EBID nanostructures. A few ligands (e.g., halogens) can, however, desorb during electron beam processing while other ligands (e.g., PF{sub 3}, CO) can thermally desorb if elevated substrate temperatures are used during deposition. Using these general guidelines for reactivity, we propose some design strategies for EBID precursors. The ultimate goal is to minimize organic contamination and thus overcome the key bottleneck for fabrication of relatively pure EBID nanostructures. (orig.)

Labeling of thymidine analog with an organometallic complex of technetium-99m for diagnostic of cancer: radiochemical and biological evaluation

International Nuclear Information System (INIS)

Santos, Rodrigo Luis Silva Ribeiro

2007-01-01

Thymidine analogs have been labeled with different radioisotopes due to their potential in monitoring the uncontrollable cell proliferation. Considering that the radioisotopes technetium-99m still keep a privileged position as a marker due to its chemical and nuclear properties, this dissertation was constituted by the developed of a new technique of labeling of thymidine analog with 99m Tc, by means of the organometallic complex. The aims of this research were: synthesis of the organometallic complex technetium-99m-carbonyl, thymidine labeling with this precursor, evaluation of stability, and radiochemical e biological evaluation with healthy and tumor-bearing animals. The preparation of the organometallic precursor, using the CO gas, was easily achieved, as well as the labeling of thymidine with this precursor, resulting itself a radiochemical pureness of ≥ 97% and ≥ 94%, respectively. Chromatography systems with good levels of trustworthiness were used, ensuring the qualification and quantification of the radiochemical samples. The result of in vitro testing of lipophilicity disclosed that the radiolabeled complex is hydrophilic, with a partition coefficient (log P) of -1.48. The precursor complex and the radiolabeled have good radiochemical stability up to 6 h in room temperature. The cysteine and histidine challenge indicated losses between 8 and 1 1 % for concentrations until 300 mM. The biodistribution assay in healthy mice revealed rapid blood clearance and low uptake by general organs with renal and hepatobiliary excretion. The tumor concentration was low with values of 0.28 and 0.18 %ID/g for lung and breast cancer, respectively. The results imply more studies in other tumor models or the modification of the structure of the organic molecule that act like ligand. (author)

Nitrogen doping of ZnSe by OMVPE using a novel organometallic precursor

International Nuclear Information System (INIS)

Akram, S.; Bhat, I.B.; Melas, A.A.

1994-01-01

We have investigated phenylhydrazine (PhHz) as a potential nitrogen dopant source in organometallic vapor phase epitaxial growth of ZnSe. Dimethylzinc and dimethylselenide were the zinc and selenium precursors, respectively. Photoluminescence and secondary ion mass spectroscopy measurements indicate that high incorporation efficiency compared to ammonia can be achieved using this dopant source. For example, nitrogen incorporation in the 2.5 x 10 18 /cm -3 level was achieved at 350 degrees C under ultraviolet excitation when the PhHz partial pressure was 1 x 10 -8 atm. These layers had 1-2 x 10 15 /cm -3 electrically active acceptors. Films grown at higher partial pressures of PhHz were highly compensated. 9 refs., 5 figs

IGORR-IV: Proceedings of the fourth meeting of the International Group On Research Reactors

Energy Technology Data Exchange (ETDEWEB)

Rosenbalm, K F [comp.

1995-07-01

The fourth meeting of the International Group on Research Reactors (IGORR-IV) was attended by was good 55 registered participants from 28 organizations in 13 countries, which compares well with the previous meetings. Twenty-nine papers were presented in five sessions over the two-day meeting. Session subjects were: Operating Research Reactors and Facility Upgrades; Research Reactors in Desin and Construction; Research, Development, and Analysis Results of Thermal Hydraulic Calculations, U{sub 3}Si{sub 2} Fuel Performance and Faibrication; Structural Materials Performance; Neutronics; Severe Accident analysis. Written versions of the papers or hard copies of the viewgraphs used are published in these Proceedings.

Annotated bibliography for liquid metal surface tensions of groups III-A, IV-A, and V-A metals

International Nuclear Information System (INIS)

Murtha, M.J.; Burnet, G.

1976-04-01

An annotated bibliography has been prepared which includes summaries of 82 publications dating from 1920 and dealing with the measurement of the surface tensions of Groups III-A, IV-A, and V-A metals in the liquid state. The bibliography is organized by key element investigated, and contains a tabulation of correlations for surface tension as a function of temperature. A brief discussion dealing with variables and methods has been included

Low-voltage organic field-effect transistors based on novel high-κ organometallic lanthanide complex for gate insulating materials

Directory of Open Access Journals (Sweden)

Qi Liu

2014-08-01

Full Text Available A novel high-κ organometallic lanthanide complex, Eu(tta3L (tta=2-thenoyltrifluoroacetonate, L = 4,5-pinene bipyridine, is used as gate insulating material to fabricate low-voltage pentacene field-effect transistors (FETs. The optimized gate insulator exhibits the excellent properties such as low leakage current density, low surface roughness, and high dielectric constant. When operated under a low voltage of −5 V, the pentacene FET devices show the attractive electrical performance, e.g. carrier mobility (μFET of 0.17 cm2 V−1 s−1, threshold voltage (Vth of −0.9 V, on/off current ratio of 5 × 103, and subthreshold slope (SS of 1.0 V dec−1, which is much better than that of devices obtained on conventional 300 nm SiO2 substrate (0.13 cm2 V−1 s−1, −7.3 V and 3.1 V dec−1 for μFET, Vth and SS value when operated at −30 V. These results indicate that this kind of high-κ organometallic lanthanide complex becomes a promising candidate as gate insulator for low-voltage organic FETs.

Organometallic complexes of thiocarbanilides and substituted thiocarbanilides using manganese (II) chloride

International Nuclear Information System (INIS)

Babiker, Musa Elaballa Mohamed

2000-01-01

Organo-metallic complexes of substituted thiocarbanilide using manganese (II) chloride were prepared, these are: (VIII) 3:3'-Dichloro thiocarbanilide. Manganese (II) chloride. (IX) 3:3'-Dimethyl thiocarbanilide. Manganese (II) chloride. (X) 2:2'-dimethyl thiocarbanilide. Manganese (II) chloride. These compounds are coloured, soluble in most organic solvents, insoluble in water, decomposed by hot solvents. The physical properties of compounds (IX) and (X) were studied by UV and IR spectra, and the physical properties of compound (VIII) were studied by UV, IR, mass spectra and NMR. The molecular weight of the compound (VIII) was determined by three different methods; Rast's camphor method, mass spectra and the nitrogen contents. The stoichiometry of the reaction was found to be 2:1, and the coordination is from sulphur atom more than nitrogen.(Author)

p-type Mesoscopic nickel oxide/organometallic perovskite heterojunction solar cells.

Science.gov (United States)

Wang, Kuo-Chin; Jeng, Jun-Yuan; Shen, Po-Shen; Chang, Yu-Cheng; Diau, Eric Wei-Guang; Tsai, Cheng-Hung; Chao, Tzu-Yang; Hsu, Hsu-Cheng; Lin, Pei-Ying; Chen, Peter; Guo, Tzung-Fang; Wen, Ten-Chin

2014-04-23

In this article, we present a new paradigm for organometallic hybrid perovskite solar cell using NiO inorganic metal oxide nanocrystalline as p-type electrode material and realized the first mesoscopic NiO/perovskite/[6,6]-phenyl C61-butyric acid methyl ester (PC61BM) heterojunction photovoltaic device. The photo-induced transient absorption spectroscopy results verified that the architecture is an effective p-type sensitized junction, which is the first inorganic p-type, metal oxide contact material for perovskite-based solar cell. Power conversion efficiency of 9.51% was achieved under AM 1.5 G illumination, which significantly surpassed the reported conventional p-type dye-sensitized solar cells. The replacement of the organic hole transport materials by a p-type metal oxide has the advantages to provide robust device architecture for further development of all-inorganic perovskite-based thin-film solar cells and tandem photovoltaics.

Naturally Efficient Emitters: Luminescent Organometallic Complexes Derived from Natural Products

Science.gov (United States)

Zhang, Wen-Hua; Young, David J.

2013-08-01

Naturally occurring molecules offer intricate structures and functionality that are the basis of modern medicinal chemistry, but are under-represented in materials science. Herein, we review recent literature describing the use of abundant and relatively inexpensive, natural products for the synthesis of ligands for luminescent organometallic complexes used for organic light emitting diodes (OLEDs) and related technologies. These ligands are prepared from the renewable starting materials caffeine, camphor, pinene and cinchonine and, with the exception of caffeine, impart performance improvements to the emissive metal complexes and resulting OLED devices, with emission wavelengths that span the visible spectrum from blue to red. The advantages of these biologically-derived molecules include improved solution processibility and phase homogeneity, brighter luminescence, higher quantum efficiencies and lower turn-on voltages. While nature has evolved these carbon-skeletons for specific purposes, they also offer some intriguing benefits in materials science and technology.

Distribution of PCDD/Fs and organometallic compounds in sewage sludge of wastewater treatment plants in China

International Nuclear Information System (INIS)

Lu Mang; Wu Xuejiao; Zeng Decai; Liao Yong

2012-01-01

Polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs), organotin and organolead compounds were measured in sewage sludge samples collected from 24 wastewater treatment plants from 18 cities of 13 provinces in China. Total international toxicity equivalent (I-TEQ) values were evaluated for PCDD/Fs. The total concentration of PCDD/Fs ranged from 104.0 to 1661 pg/g dry weight (d.w.) and 2.51–75.21 pg I-TEQ/g d.w., indicating that all I-TEQs were below Chinese legislation limit value regulated for land application. The concentrations ranged from 258 to 3886, 126 to 1129, and 84–2133 ng/g as Sn d.w., for tributyltin (TBT), dibutyltin (DBT), and diphenyltin (DPhT), respectively. On the other side, organolead concentrations ranged from 85 to 668 with an average of 279 ng/g as lead. High concentrations of organolead compounds in sewage sludge indicated that the environmental impact of organolead compounds remains in China. - Highlights: ► The first study on PCDD/F distribution in sewage sludge in China on a national scale. ► The first study on organometallic compounds distribution in sewage sludge on a national scale. ► The persistence of tetraethyllead deserves attention. - This is the first study on the survey of the distributions of POPs and organometallic compounds in sewage sludge in China on a national scale.

Functionalization of group IV semiconductors; Funktionalisierung von Gruppe IV-Halbleitern

Energy Technology Data Exchange (ETDEWEB)

Hoeb, Marco Andreas

2011-01-15

The present work is focused on the structural and electronic properties of thermally and photochemically grafted alkene molecules. The semiconductor substrates used in this work are the group IV-semiconductors silicon, diamond, and silicon carbide. On silicon, functionalization via the commonly known hydrosilylation reaction was performed. During thermal treatment in vacuum-distilled 1-octadecene, the alkene molecules covalently added to the substrate via Si-C bond formation, resulting in self-assembled organic monolayers. The reaction resulted in smooth and homogeneous alkyl-terminated surfaces. Static water contact angles were determined to be 113 . Photoelectron spectroscopy was performed and showed no evidence of surface oxidation. The high packing of the organic layers is indicated by the asymmetric methylene vibrational mode, which has been redshifted by -4 cm{sup -1} with respect to the liquid alkene mode position. The average molecular tilt-angle of the alkyl-molecules, relative to the surface normal, has been identified to be 34 . The transport properties have been determined to be dominated by tunneling processes. On diamond, first results on the thermal functionalization of hydrogen- and oxygen-terminated surfaces are demonstrated. Thermal functionalization with octadecene showed high selectivity, while hydrogenated diamond surfaces were found to be inert to the thermally induced reaction with alkenes. In contrast, alkene molecules were successfully grafted to oxygen-terminated sites via covalent C-O-C bonds. Reaction temperatures as high as 160 C were necessary to initiate the functionalization process.Wetting experiments on the alkyl-modified surfaces revealed contact angle values of 103 . The high quality of the monolayers on oxygenated surfaces was confirmed by IR-spectroscopy. In addition, polarized IR-measurements indicated a tilt angle of 23 . On silicon carbide, thermal and UV-induced alkoxylation were studied. Hydrofluoric acid treatment

Assessment of Group Preferences and Group Uncertainty for Decision Making

Science.gov (United States)

1976-06-01

the individ- uals. decision making , group judgments should be preferred to individual judgments if obtaining group judgments costs more. -26- -YI IV... decision making group . IV. A. 3. Aggregation using conjugate distribution. Arvther procedure for combining indivi(jai probability judgments into a group...statisticized group group decision making group judgment subjective probability Delphi method expected utility nominal group 20. ABSTRACT (Continue on

Studies in group IV organometallic chemistry XXX. Synthesis of compounds containing tin---titanium and tin---zirconium bonds

NARCIS (Netherlands)

Creemers, H.M.J.C.; Verbeek, F.; Noltes, J.G.

1968-01-01

Starting from the tetrakis(diethylamino) derivatives of titanium and zirconium and pheyltin hydrides six intermetalic compounds contianing up to nine tin and titanium(or zirconium) atoms have been obtained by hydrostannolysis type reactions.

Incorporation of sulfate or selenate groups into oxotellurates(IV). I. Calcium, cadmium, and strontium compounds

Energy Technology Data Exchange (ETDEWEB)

Weil, Matthias; Shirkhanlou, Mahdi [Institute for Chemical Technologies and Analytics, Division Structural Chemistry, TU Wien, Vienna (Austria)

2017-02-15

Seven new mixed oxochalcogenate compounds in the systems M{sup II}/X{sup VI}/Te{sup IV}/O/(H), (M{sup II} = Ca, Cd, Sr; X{sup VI} = S, Se) were obtained under hydrothermal conditions (210 C, one week). Crystal structure determinations based on single-crystal X-ray diffraction data revealed the compositions Ca{sub 3}(SeO{sub 4})(TeO{sub 3}){sub 2}, Ca{sub 3}(SeO{sub 4})(Te{sub 3}O{sub 8}), Cd{sub 3}(SeO{sub 4})(Te{sub 3}O{sub 8}), Cd{sub 3}(H{sub 2}O)(SO{sub 4})(Te{sub 3}O{sub 8}), Cd{sub 4}(SO{sub 4})(TeO{sub 3}){sub 3}, Cd{sub 5}(SO{sub 4}){sub 2}(TeO{sub 3}){sub 2}(OH){sub 2}, and Sr{sub 3}(H{sub 2}O){sub 2}(SeO{sub 4})(TeO{sub 3}){sub 2} for these phases. Peculiar features of the crystal structures of Ca{sub 3}(SeO{sub 4})(TeO{sub 3}){sub 2}, Ca{sub 3}(SeO{sub 4})(Te{sub 3}O{sub 8}), Cd{sub 3}(SeO{sub 4})(Te{sub 3}O{sub 8}), Cd{sub 3}(H{sub 2}O)(SO{sub 4})(Te{sub 3}O{sub 8}), and Sr{sub 3}(H{sub 2}O){sub 2}(SeO{sub 4})(TeO{sub 3}){sub 2} are metal-oxotellurate(IV) layers connected by bridging XO{sub 4} tetrahedra and/or by hydrogen-bonding interactions involving hydroxyl or water groups, whereas Cd{sub 4}(SO{sub 4})(TeO{sub 3}){sub 3} and Cd{sub 5}(SO{sub 4}){sub 2}(TeO{sub 3}){sub 2}(OH){sub 2} crystallize as framework structures. Common to all crystal structures is the stereoactivity of the Te{sup IV} electron lone pair for each oxotellurate(IV) unit, pointing either into the inter-layer space, or into channels and cavities in the crystal structures. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

A COMPARATIVE CLINICAL STUDY BETWEEN IV ESMOLOL AND IV FENTANYL ON ATTENUATION OF HAEMODYNAMIC RESPONSES TO LARYNGOSCOPY AND INTUBATION

Directory of Open Access Journals (Sweden)

Abu Lais Mustaque

2016-04-01

Full Text Available INTRODUCTION Laryngoscopy and intubation is an integral part for providing general anaesthesia to patients undergoing various types of surgery. It also plays an important role in critical care units viz. for providing mechanical ventilation. It is a very essential tool in the hands of anaesthesiologist in maintaining airway. The present study is undertaken to determine and compare the efficacy of single bolus dose of IV esmolol 1 mg/kg and IV fentanyl 2 mcg/kg in attenuating the haemodynamic responses to laryngoscopy and tracheal intubation and to ascertain the effectiveness of esmolol hydrochloride and fentanyl citrate in suppressing sympathetic responses. MATERIAL & METHODS The study was conducted under the Department of Anaesthesiology and Critical Care, Assam Medical College and Hospital, Dibrugarh, during the period July 2013 to June 2014. For this purpose, 150 patients of either sex between 20-50 years of ASA I & II physical status were selected after obtaining informed and written consent and were divided into two groups namely, Group E receiving IV esmolol (1 mg/kg and Group F receiving IV fentanyl (2 mcg/kg. RESULTS Inj. fentanyl 2 mcg/kg IV administered 5 minutes before laryngoscopy and intubation was able to prevent adverse haemodynamic changes better than Inj. esmolol 1 mg/kg IV administered 3 minutes prior to laryngoscopy and intubation during elective surgeries under general anaesthesia. CONCLUSION Hence, from the findings of this study we can conclude that IV bolus dose of fentanyl 2 mcg/kg administered 5 minutes before laryngoscopy and intubation can attenuate the sympathetic response to laryngoscopy and intubation without any side effects of the drug in healthy patients undergoing elective surgeries under general anaesthesia.

Micro-sized organometallic compound of ferrocene as high-performance anode material for advanced lithium-ion batteries

Science.gov (United States)

Liu, Zhen; Feng, Li; Su, Xiaoru; Qin, Chenyang; Zhao, Kun; Hu, Fang; Zhou, Mingjiong; Xia, Yongyao

2018-01-01

An organometallic compound of ferrocene is first investigated as a promising anode for lithium-ion batteries. The electrochemical properties of ferrocene are conducted by galvanostatic charge and discharge. The ferrocene anode exhibits a high reversible capacity and great cycling stability, as well as superior rate capability. The electrochemical reaction of ferrocene is semi-reversible and some metallic Fe remains in the electrode even after delithiation. The metallic Fe formed in electrode and the stable solid electrolyte interphase should be responsible for its excellent electrochemical performance.

Abdominal 64-MDCT for suspected appendicitis: the use of oral and IV contrast material versus IV contrast material only.

Science.gov (United States)

Anderson, Stephan W; Soto, Jorge A; Lucey, Brian C; Ozonoff, Al; Jordan, Jacqueline D; Ratevosian, Jirair; Ulrich, Andrew S; Rathlev, Niels K; Mitchell, Patricia M; Rebholz, Casey; Feldman, James A; Rhea, James T

2009-11-01

The objective of our study was to compare the diagnostic accuracy of IV contrast-enhanced 64-MDCT with and without the use of oral contrast material in diagnosing appendicitis in patients with abdominal pain. We conducted a randomized trial of a convenience sample of adult patients presenting to an urban academic emergency department with acute nontraumatic abdominal pain and clinical suspicion of appendicitis, diverticulitis, or small-bowel obstruction. Patients were enrolled between 8 am and 11 pm when research assistants were present. Consenting subjects were randomized into one of two groups: Group 1 subjects underwent 64-MDCT performed with oral and IV contrast media and group 2 subjects underwent 64-MDCT performed solely with IV contrast material. Three expert radiologists independently reviewed the CT examinations, evaluating for the presence of appendicitis. Each radiologist interpreted 202 examinations, ensuring that each examination was interpreted by two radiologists. Individual reader performance and a combined interpretation performance of the two readers assigned to each case were calculated. In cases of disagreement, the third reader was asked to deliver a tiebreaker interpretation to be used to calculate the combined reader performance. Final outcome was based on operative, clinical, and follow-up data. We compared radiologic diagnoses with clinical outcomes to calculate the diagnostic accuracy of CT in both groups. Of the 303 patients enrolled, 151 patients (50%) were randomized to group 1 and the remaining 152 (50%) were randomized to group 2. The combined reader performance for the diagnosis of appendicitis in group 1 was a sensitivity of 100% (95% CI, 76.8-100%) and specificity of 97.1% (95% CI, 92.7-99.2%). The performance in group 2 was a sensitivity of 100% (73.5-100%) and specificity of 97.1% (92.9-99.2%). Patients presenting with nontraumatic abdominal pain imaged using 64-MDCT with isotropic reformations had similar characteristics for the

Synthesis and X-ray crystal structure of a novel organometallic (µ(3)-oxido)(µ(3)-imido) trinuclear iridium complex

DEFF Research Database (Denmark)

Schau-Magnussen, Magnus; Malcho, Phillip; Herbst, Konrad

2011-01-01

Reaction of the organometallic aqua ion [Cp*Ir(H(2)O)(3)](2+) with tert-butyl(trimethylsilyl)amine in acetone yielded a novel trinuclear (µ(3)-oxido)(µ(3)-imido)pentamethylcyclopentadienyliridium(iii) complex, [(Cp*Ir)(3)(O)(N(t)Bu)](2+). Single crystal structure analyses show the complex can be ...... that a trinuclear (µ(3)-oxido)(µ(3)-imido) transition metal complex has been structurally characterized....

Low-voltage organic field-effect transistors based on novel high-κ organometallic lanthanide complex for gate insulating materials

Energy Technology Data Exchange (ETDEWEB)

Liu, Qi; Li, Yi; Zhang, Yang; Song, You, E-mail: wangxzh@nju.edu.cn, E-mail: yli@nju.edu.cn, E-mail: yousong@nju.edu.cn; Wang, Xizhang, E-mail: wangxzh@nju.edu.cn, E-mail: yli@nju.edu.cn, E-mail: yousong@nju.edu.cn; Hu, Zheng [Key Laboratory of Mesoscopic Chemistry of MOE, Jiangsu Provincial Lab for Nanotechnology, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, China. High-Tech Research Institute of Nanjing University (Suzhou), Suzhou 215123 (China); Sun, Huabin; Li, Yun, E-mail: wangxzh@nju.edu.cn, E-mail: yli@nju.edu.cn, E-mail: yousong@nju.edu.cn; Shi, Yi [School of Electronic Science and Engineering and Jiangsu Provincial Key Laboratory of Photonic and Electronic Materials, Nanjing University, Nanjing 210093 (China)

2014-08-15

A novel high-κ organometallic lanthanide complex, Eu(tta){sub 3}L (tta=2-thenoyltrifluoroacetonate, L = 4,5-pinene bipyridine), is used as gate insulating material to fabricate low-voltage pentacene field-effect transistors (FETs). The optimized gate insulator exhibits the excellent properties such as low leakage current density, low surface roughness, and high dielectric constant. When operated under a low voltage of −5 V, the pentacene FET devices show the attractive electrical performance, e.g. carrier mobility (μ{sub FET}) of 0.17 cm{sup 2} V{sup −1} s{sup −1}, threshold voltage (V{sub th}) of −0.9 V, on/off current ratio of 5 × 10{sup 3}, and subthreshold slope (SS) of 1.0 V dec{sup −1}, which is much better than that of devices obtained on conventional 300 nm SiO{sub 2} substrate (0.13 cm{sup 2} V{sup −1} s{sup −1}, −7.3 V and 3.1 V dec{sup −1} for μ{sub FET}, V{sub th} and SS value when operated at −30 V). These results indicate that this kind of high-κ organometallic lanthanide complex becomes a promising candidate as gate insulator for low-voltage organic FETs.

Topological characterisation and identification of critical domains within glucosyltransferase IV (GtrIV of Shigella flexneri

Directory of Open Access Journals (Sweden)

Nair Anesh

2011-12-01

Full Text Available Abstract Background The three bacteriophage genes gtrA, gtrB and gtr(type are responsible for O-antigen glucosylation in Shigella flexneri. Both gtrA and gtrB have been demonstrated to be highly conserved and interchangeable among serotypes while gtr(type was found to be specific to each serotype, leading to the hypothesis that the Gtr(type proteins are responsible for attaching glucosyl groups to the O-antigen in a site- and serotype- specific manner. Based on the confirmed topologies of GtrI, GtrII and GtrV, such interaction and attachment of the glucosyl groups to the O-antigen has been postulated to occur in the periplasm. Results In this study, the topology of GtrIV was experimentally determined by creating different fusions between GtrIV and a dual-reporter protein, PhoA/LacZ. This study shows that GtrIV consists of 8 transmembrane helices, 2 large periplasmic loops, 2 small cytoplasmic N- and C- terminal ends and a re-entrant loop that occurs between transmembrane helices III and IV. Though this topology differs from that of GtrI, GtrII, GtrV and GtrX, it is very similar to that of GtrIc. Furthermore, both the N-terminal periplasmic and the C-terminal periplasmic loops are important for GtrIV function as shown via a series of loop deletion experiments and the creation of chimeric proteins between GtrIV and its closest structural homologue, GtrIc. Conclusion The current study provides the basis for elucidating the structure and mechanism of action of this important O-antigen modifying glucosyltransferase.

Synthesis of group 10 metal complexes with a new unsymmetrical PN3P-pincer ligand through ligand post-modification: Structure and reactivity

KAUST Repository

Wang, Xiufang

2017-01-01

A post-modification strategy are used to synthesize a new class of diimine-amido PN3P-pincer group-10 transition metal complexes. The coordination chemistry and the thermal stabilities of their organometallic derivatives are characterized and investigated.

Unprecedented Spectroscopic and Computational Evidence for Allenyl and Propargyl Titanocene(IV) Complexes: Electrophilic Quenching of Their Metallotropic Equilibrium.

Science.gov (United States)

Ruiz-Muelle, Ana Belén; Oña-Burgos, Pascual; Ortuño, Manuel A; Oltra, J Enrique; Rodríguez-García, Ignacio; Fernández, Ignacio

2016-02-12

The synthesis and structural characterization of allenyl titanocene(IV) [TiClCp2 (CH=C=CH2 )] 3 and propargyl titanocene(IV) [TiClCp2 (CH2 -C≡C-(CH2 )4 CH3 )] 9 have been described for the first time. Advanced NMR methods including diffusion NMR methods (diffusion pulsed field gradient stimulated spin echo (PFG-STE) and DOSY) have been applied and established that these organometallics are monomers in THF solution with hydrodynamic radii (from the Stokes-Einstein equation) of 3.5 and 4.1 Å for 3 and 9, respectively. Full (1) H, (13) C, Δ(1) H, and Δ(13) C NMR data are given, and through the analysis of the Ramsey equation, the first electronic insights into these derivatives are provided. In solution, they are involved in their respective metallotropic allenyl-propargyl equilibria that, after quenching experiments with aromatic and aliphatic aldehydes, ketones, and protonating agents, always give the propargyl products P (when carbonyls are employed), or allenyl products A (when a proton source is added) as the major isomers. In all the cases assayed, the ratio of products suggests that the metallotropic equilibrium should be faster than the reactions of 3 and 9 with electrophiles. Indeed, DFT calculations predict lower Gibbs energy barriers for the metallotropic equilibrium, thus confirming dynamic kinetic resolution. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Theoretical Study of Indium Compounds of Interest for Organometallic Chemical Vapor Deposition

Science.gov (United States)

Cardelino, B. H.; Moore, C. E.; Cardelino, C. A.; Frazier, D. O.; Backmann, K. J.

2000-01-01

The structural. electronic and therinochemical properties of indium compounds which are of interest in halide transport and organometallic chemical vapor deposition processes have been studied by ab initio and statistical mechanics methods. The compounds reported include: indium halides and hydrides (InF, InCl, InCl3, InH, InH2, InH3); indium clusters (In2, In3); methylindium, dimethylindium, and their hydrogen derivatives [In(CH3), In(CH3)H, In(CH3)H2, In(CH3)2, In(CH3)2H]; dimethyl-indium dimer [In2(CH3)4], trimethyl-indium [In(CH3)3]; dehydrogenated methyl, dimethyl and trimethylindium [In(CH3)2CH2, In(CH3)CH2, In(CH2)], trimethylindium adducts with ammonia, trimethylamine and hydrazine [(CH3)3In:NH3, (CH3)3In:N(CH3)3, (CH3)3In:N(H2)N(H2)]; dimethylamino-indium and methylimino-indium [In(CH3)2(NH2), In(CH3)(NH)]; indium nitride and indium nitride dimer (InN, In2N2), indium phosphide, arsenide and antimonide ([InP, InAs, InSb). The predicted electronic properties are based on density functional theory calculations; the calculated thermodynamic properties are reported following the format of the JANAF (Joint Army, Navy, NASA, Air Force) Tables. Equilibrium compositions at two temperatures (298 and 1000 K) have been analyzed for groups of competing simultaneous reactions.

New Concept of C–H and C–C Bond Activation via Surface Organometallic Chemistry

KAUST Repository

Samantaray, Manoja; Dey, Raju; Kavitake, Santosh Giridhar; Basset, Jean-Marie

2015-01-01

In this chapter we describe the recent applications of well-defined oxidesupported metal alkyls/alkylidenes/alkylidynes and hydrides of group IV, V, and VI transition metals in the field of C–H and C–C bond activation. The activation of ubiquitous C

Homologation chemistry with nucleophilic α-substituted organometallic reagents: chemocontrol, new concepts and (solved) challenges.

Science.gov (United States)

Castoldi, Laura; Monticelli, Serena; Senatore, Raffaele; Ielo, Laura; Pace, Vittorio

2018-05-31

The transfer of a reactive nucleophilic CH2X unit into a preformed bond enables the introduction of a fragment featuring the exact and desired degree of functionalization through a single synthetic operation. The instability of metallated α-organometallic species often poses serious questions regarding the practicability of using this conceptually intuitive and simple approach for forming C-C or C-heteroatom bonds. A deep understanding of processes regulating the formation of these nucleophiles is a precious source of inspiration not only for successfully applying theoretically feasible transformations (i.e. determining how to employ a given reagent), but also for designing new reactions which ultimately lead to the introduction of molecular complexity via short experimental sequences.

Synthesis and crystal structure of Fe[(Te1.5Se0.5)O5]Cl, the first iron compound with selenate(IV) and tellurate(IV) groups

Science.gov (United States)

Akhrorov, Akhmad Yu; Kuznetsova, Elena S.; Aksenov, Sergey M.; Berdonosov, Peter S.; Kuznetsov, Alexey N.; Dolgikh, Valery A.

2017-12-01

During the search for selenium analogues of FeTe2O5Cl, the new iron (III) tellurate(IV) selenate(IV) chloride with the composition Fe[(Te1.5Se0.5)O5]Cl was synthesized by chemical vapor transport (CVT) reaction and characterized by TGA-, EDX-,SCXRD-analysis, as well as IR and Raman spectroscopy. It was found that Fe[(Te1.5Se0.5)O5]Cl crystallizes in the monoclinic space group P21/c with unitcell parameters a = 5.183(3) Å, b = 15.521(9) Å, c = 7.128(5) Å and β = 107.16(1)°. The crystal structure of Fe[(Te1.5Se0.5)O5]Cl represents a new structure type and contains electroneutral heteropolyhedral layers formed by dimers of the [FeO5Cl]8- octahedra, linked via common O-O edges, and mixed [Te3SeO10]4- tetramers. Adjacent layers are stacked along the b axis and linked by weak residual bonds. The new compound is stable up to 420 °C. DFT calculations predict Fe[(Te1.5Se0.5)O5]Cl to be a wide-gap semiconductor with the band gap of ca. 2.7 eV.

The preparation of highly active antimicrobial silver nanoparticles by an organometallic approach

International Nuclear Information System (INIS)

Fernandez, Eduardo J; Garcia-Barrasa, Jorge; Lopez-de-Luzuriaga, Jose M; Monge, Miguel; Laguna, Antonio; Torres, Carmen

2008-01-01

Silver nanoparticles of small size with a high surface to volume ratio have been prepared using an organometallic approach. For this, the complex NBu 4 [Ag(C 6 F 5 ) 2 ] has been treated with AgClO 4 in a 1:1 molar ratio, giving rise to the nanoparticle precursor [Ag(C 6 F 5 )] in solution. Addition of one equivalent of hexadecylamine (HDA) and 5 h of reflux in toluene leads to a deep yellow solution containing monodisperse silver nanoparticles (Ag NPs) of ca. 10 nm. This approach leads to nanoparticles with almost uncontaminated surfaces which make them very reactive. Antimicrobial studies show that these nanoparticles are very active as antimicrobial agents. Very low concentrations between 12 and 25 μg ml -1 of Ag NPs are enough to produce bacteriostatic and bactericidal effectiveness

Thermodynamic data for predicting concentrations of Th(IV), U(IV), Np(IV), and Pu(IV) in geologic environments

Energy Technology Data Exchange (ETDEWEB)

Rai, Dhanpat; Roa, Linfeng; Weger, H.T.; Felmy, A.R. [Battelle, Pacific Northwest National Laboratory (PNNL) (United States); Choppin, G.R. [Florida State University (United States); Yui, Mikazu [Waste Isolation Research Division, Tokai Works, Japan Nuclear Cycle Development Inst., Tokai, Ibaraki (Japan)

1999-01-01

This report provides thermodynamic data for predicting concentrations of Th(IV), U(IV), Np(IV), and Pu(IV) in geologic environments, and contributes to an integration of the JNC chemical thermodynamic database, JNC-TDB (previously PNC-TDB), for the performance analysis of geological isolation system for high-level radioactive wastes. Thermodynamic data for the formation of complexes or compounds with hydroxide, chloride, fluoride, carbonate, nitrate, sulfate and phosphate are discussed in this report. Where data for specific actinide(IV) species was lacking, the data were selected based on chemical analogy to other tetravalent actinides. In this study, the Pitzer ion-interaction model is used to extrapolate thermodynamic constants to zero ionic strength at 25degC. (author)

Preparation of some complexes of Th(IV) and U(IV) with tetradentate Schiff bases. The crystal structure of bis(N,N'-ethylenebis(3-methoxysalicylaldiminato)) thorium(IV) monopyridine

Energy Technology Data Exchange (ETDEWEB)

Hill, R J; Rickard, C E.F.; White, H E [Auckland Univ. (New Zealand). Dept. of Chemistry

1981-01-01

Complexes of Th(IV) and U(IV) with tetradentate Schiff bases derived from substituted salicylaldehydes have been prepared and characterised. The structure of bis(N,N'-ethylenebis(3-methoxysalicylaldiminato)) Th(IV) monopyridine has been determined by X-ray crystallographic methods. The crystals are triclinic, a = 13.468, b = 9.932, c = 16.552 A, ..cap alpha.. = 91.74, ..beta.. = 94.69, ..gamma.. = 93.03/sup 0/, space group P/sub 1//sup -/. The molecules are eight coordinate with a slightly distorted dodecahedral geometry with the imine nitrogen atoms in the dodecahedral A sites. The pyridine molecule is uncoordinated and functions in a space-filling role.

About the structure and stability of complex carbonates of thorium (IV), cerium (IV), zirconium (IV), hafnium (IV)

International Nuclear Information System (INIS)

Dervin, Jacqueline

1972-01-01

This research thesis addressed the study of complex carbonates of cations of metals belonging to the IV A column, i.e. thorium (IV), zirconium (IV), hafnium (IV), and also cerium (IV) and uranium (VI), and more particularly focused on ionic compounds formed in solution, and also on the influence of concentration and nature of cations on stability and nature of the formed solid. The author first presents methods used in this study, discusses their precision and scope of validity. She reports the study of the formation of different complex ions which have been highlighted in solution, and the determination of their formation constants. She reports the preparation and study of the stability domain of solid complexes. The next part reports the use of thermogravimetric analysis, IR spectrometry, and crystallography for the structural study of these compounds

Helping General Physical Educators and Adapted Physical Educators Address the Office of Civil Rights Dear Colleague Guidance Letter: Part IV--Sport Groups

Science.gov (United States)

Lieberman, Lauren; Lucas, Mark; Jones, Jeffery; Humphreys, Dan; Cody, Ann; Vaughn, Bev; Storms, Tommie

2013-01-01

"Helping General Physical Educators and Adapted Physical Educators Address the Office of Civil Rights Dear Colleague Guidance Letter: Part IV--Sport Groups" provides the the following articles: (1) "Sport Programming Offered by Camp Abilities and the United States Association for Blind Athletes" (Lauren Lieberman and Mark…

Controlling Thermodynamic Properties of Ferromagnetic Group-IV Graphene-Like Nanosheets by Dilute Charged Impurity

Science.gov (United States)

Yarmohammadi, Mohsen; Mirabbaszadeh, Kavoos

2017-05-01

Using the Kane-Mele Hamiltonian, Dirac theory and self-consistent Born approximation, we investigate the effect of dilute charged impurity on the electronic heat capacity and magnetic susceptibility of two-dimensional ferromagnetic honeycomb structure of group-IV elements including silicene, germanene and stanene within the Green’s function approach. We also find these quantities in the presence of applied external electric field. Our results show that the silicene (stanene) has the maximum (minimum) heat capacity and magnetic susceptibility at uniform electric fields. From the behavior of theses quantities, the band gap has been changed with impurity concentration, impurity scattering strength and electric field. The analysis on the impurity-dependent magnetic susceptibility curves shows a phase transition from ferromagnetic to paramagnetic and antiferromagnetic phases. Interestingly, electronic heat capacity increases (decreases) with impurity concentration in silicene (germanene and stanene) structure.

The ab-initio density matrix renormalization group in practice

Energy Technology Data Exchange (ETDEWEB)

Olivares-Amaya, Roberto; Hu, Weifeng; Sharma, Sandeep; Yang, Jun; Chan, Garnet Kin-Lic [Department of Chemistry, Princeton University, Princeton, New Jersey 08544 (United States); Nakatani, Naoki [Department of Chemistry, Princeton University, Princeton, New Jersey 08544 (United States); Catalysis Research Center, Hokkaido University, Kita 21 Nishi 10, Sapporo, Hokkaido 001-0021 (Japan)

2015-01-21

The ab-initio density matrix renormalization group (DMRG) is a tool that can be applied to a wide variety of interesting problems in quantum chemistry. Here, we examine the density matrix renormalization group from the vantage point of the quantum chemistry user. What kinds of problems is the DMRG well-suited to? What are the largest systems that can be treated at practical cost? What sort of accuracies can be obtained, and how do we reason about the computational difficulty in different molecules? By examining a diverse benchmark set of molecules: π-electron systems, benchmark main-group and transition metal dimers, and the Mn-oxo-salen and Fe-porphine organometallic compounds, we provide some answers to these questions, and show how the density matrix renormalization group is used in practice.

The ab-initio density matrix renormalization group in practice.

Science.gov (United States)

Olivares-Amaya, Roberto; Hu, Weifeng; Nakatani, Naoki; Sharma, Sandeep; Yang, Jun; Chan, Garnet Kin-Lic

2015-01-21

The ab-initio density matrix renormalization group (DMRG) is a tool that can be applied to a wide variety of interesting problems in quantum chemistry. Here, we examine the density matrix renormalization group from the vantage point of the quantum chemistry user. What kinds of problems is the DMRG well-suited to? What are the largest systems that can be treated at practical cost? What sort of accuracies can be obtained, and how do we reason about the computational difficulty in different molecules? By examining a diverse benchmark set of molecules: π-electron systems, benchmark main-group and transition metal dimers, and the Mn-oxo-salen and Fe-porphine organometallic compounds, we provide some answers to these questions, and show how the density matrix renormalization group is used in practice.

Bondonic effects in group-IV honeycomb nanoribbons with Stone-Wales topological defects.

Science.gov (United States)

Putz, Mihai V; Ori, Ottorino

2014-04-03

This work advances the modeling of bondonic effects on graphenic and honeycomb structures, with an original two-fold generalization: (i) by employing the fourth order path integral bondonic formalism in considering the high order derivatives of the Wiener topological potential of those 1D systems; and (ii) by modeling a class of honeycomb defective structures starting from graphene, the carbon-based reference case, and then generalizing the treatment to Si (silicene), Ge (germanene), Sn (stannene) by using the fermionic two-degenerate statistical states function in terms of electronegativity. The honeycomb nanostructures present η-sized Stone-Wales topological defects, the isomeric dislocation dipoles originally called by authors Stone-Wales wave or SWw. For these defective nanoribbons the bondonic formalism foresees a specific phase-transition whose critical behavior shows typical bondonic fast critical time and bonding energies. The quantum transition of the ideal-to-defect structural transformations is fully described by computing the caloric capacities for nanostructures triggered by η-sized topological isomerisations. Present model may be easily applied to hetero-combinations of Group-IV elements like C-Si, C-Ge, C-Sn, Si-Ge, Si-Sn, Ge-Sn.

Bondonic Effects in Group-IV Honeycomb Nanoribbons with Stone-Wales Topological Defects

Directory of Open Access Journals (Sweden)

Mihai V. Putz

2014-04-01

Full Text Available This work advances the modeling of bondonic effects on graphenic and honeycomb structures, with an original two-fold generalization: (i by employing the fourth order path integral bondonic formalism in considering the high order derivatives of the Wiener topological potential of those 1D systems; and (ii by modeling a class of honeycomb defective structures starting from graphene, the carbon-based reference case, and then generalizing the treatment to Si (silicene, Ge (germanene, Sn (stannene by using the fermionic two-degenerate statistical states function in terms of electronegativity. The honeycomb nanostructures present η-sized Stone-Wales topological defects, the isomeric dislocation dipoles originally called by authors Stone-Wales wave or SWw. For these defective nanoribbons the bondonic formalism foresees a specific phase-transition whose critical behavior shows typical bondonic fast critical time and bonding energies. The quantum transition of the ideal-to-defect structural transformations is fully described by computing the caloric capacities for nanostructures triggered by η-sized topological isomerisations. Present model may be easily applied to hetero-combinations of Group-IV elements like C-Si, C-Ge, C-Sn, Si-Ge, Si-Sn, Ge-Sn.

The preparation of highly active antimicrobial silver nanoparticles by an organometallic approach

Energy Technology Data Exchange (ETDEWEB)

Fernandez, Eduardo J; Garcia-Barrasa, Jorge; Lopez-de-Luzuriaga, Jose M; Monge, Miguel [Departamento de Quimica Grupo de SIntesis Quimica de La Rioja, UA-CSIC, Universidad de La Rioja, Complejo CientIfico-Tecnologico, E-26004 Logrono (Spain); Laguna, Antonio [Departamento de Quimica Inorganica, Instituto de Ciencia de Materiales de Aragon, Universidad de Zaragoza-CSIC, E-50009 Zaragoza (Spain); Torres, Carmen [Departamento de Agricultura y Alimentacion, Universidad de La Rioja, Complejo Cientifico-Tecnologico, E-26004 Logrono (Spain)], E-mail: eduardo.fernandez@unirioja.es

2008-05-07

Silver nanoparticles of small size with a high surface to volume ratio have been prepared using an organometallic approach. For this, the complex NBu{sub 4}[Ag(C{sub 6}F{sub 5}){sub 2}] has been treated with AgClO{sub 4} in a 1:1 molar ratio, giving rise to the nanoparticle precursor [Ag(C{sub 6}F{sub 5})] in solution. Addition of one equivalent of hexadecylamine (HDA) and 5 h of reflux in toluene leads to a deep yellow solution containing monodisperse silver nanoparticles (Ag NPs) of ca. 10 nm. This approach leads to nanoparticles with almost uncontaminated surfaces which make them very reactive. Antimicrobial studies show that these nanoparticles are very active as antimicrobial agents. Very low concentrations between 12 and 25 {mu}g ml{sup -1} of Ag NPs are enough to produce bacteriostatic and bactericidal effectiveness.

Organotin(IV) Carboxylates as Promising Potential Drug Candidates in the Field of Cancer Chemotherapy.

Science.gov (United States)

Sirajuddin, Muhammad; Ali, Saqib

2016-01-01

Medicinal inorganic chemistry plays an important role in exploring the properties of metal ions for the designing of new drugs. The field has been stimulated by the success of cis-platin, the world best selling anticancer drug and platinum complexes with reduced toxicity, oral activity and activity against resistant tumors are currently on clinical trial. The use of cis-platin is, however, severely limited by its toxic side-effects. This has stimulated chemists to employ different strategies in the development of new metal-based anticancer agents with different mechanisms of action. The discovery of new non-covalent interactions with the classical target, DNA, was the first developing step in the treatment of cancer. The use of organometallic compounds as a medicine is very common now a days because it offers potential advantages over the more common organic-based drugs. In this article we have highlighted the anticancer activity of the organotin(IV) carboxylates published in the last few years (from 2008 to 2016). In most cases they present lower IC50 values than those of cisplatin, which indicates their high activity against the cancer cell lines. The summarized data reveal that every year new organotin(IV) carboxylate complexes are synthesized with the aim of new anticancer agent with much better results than the than the corresponding activity of cis-platin or other clinically approved drugs. In addition to the advantages of high activity, compared to the platinum compound, tin complexes are much cheaper. Thus by using organotin carboxylate for clinical medicine, cost reduction, dosage reduction and effect enhancement will be reached. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

The International (Ludwig) Breast Cancer Study Group Trials I-IV: 15 years follow-up.

Science.gov (United States)

Castiglione-Gertsch, M; Johnsen, C; Goldhirsch, A; Gelber, R D; Rudenstam, C M; Collins, J; Lindtner, J; Hacking, A; Cortes-Funes, H; Forbes, J

1994-10-01

Adjuvant systemic therapy prolongs disease-free and overall survival in both pre- and postmenopausal patients. Available data shown benefit from multi-agent chemotherapy, prolonged tamoxifen treatment, and ovarian ablation, and that the combination of chemo- and endocrine therapy might be advantageous. In 1978 the International (Ludwig) Breast Cancer Study Group (IBCSG) initiated four complementary randomized controlled clinical trials to evaluate the roles of chemo-endocrine combinations or endocrine therapy alone in specific populations defined by risk (for pre- and perimenopausal patients) or by age (for postmenopausal patients). The results at 10 and 13 years' median follow-up for these trials are summarized in this report and are compared to those of the Overview meta-analysis with regard to chemo-endocrine or endocrine therapy combinations. Furthermore, types of first relapses by sites and second malignant diseases are reported. 1601 evaluable patients with node positive disease were included into the studies I-IV. In Trial I (491 premenopausal patients with 1-3 positive axillary nodes) we studied the addition of low-dose continuous prednisone (p) to a cyclophosphamide-methotrexate-fluorouracil (CMF) combination. In Trial II 327 premenopausal patients with four or more positive axillary nodes were randomized to one year CMFp or to a surgical oophorectomy followed by CMFp. In Trial III (463 postmenopausal patients 65 years old or younger), combined chemoendocrine therapy (one year of CMFp plus tamoxifen (T)) was compared to endocrine therapy (1 year of p + T) or to surgery alone. In Trial IV 320 postmenopausal patients 66 to 80 years old were treated either by surgery alone or by surgery followed by 1 year prednisone and tamoxifen. In Trial I the addition of prednisone allowed a higher dose of cytotoxics to be administered compared with CMF alone. Despite this increased dose intensity, 13-year disease-free survival (DFS) and overall survival (OS) were similar

Ir/Sn dual-reagent catalysis towards highly selective alkylation of ...

Indian Academy of Sciences (India)

Wintec

Organometallic; bimetallic; catalysis; alkylation; benzyl alcohol; iridium, tin. 1. Introduction ... cording to our proposal, the oxidative addition of tin(IV) halides across a ..... 33. 4. Conclusion. In summary, we have demonstrated here an Ir/Sn.

Near infrared group IV optoelectronics and novel pre-cursors for CVD epitaxy

Science.gov (United States)

Hazbun, Ramsey Michael

Near infrared and mid infrared optoelectronic devices have become increasingly important for the telecommunications, security, and medical imaging industries. The addition of nitrogen to III-V alloys has been widely studied as a method of modifying the band gap for mid infrared (IR) applications. In xGa1-xSb1-y Ny/InAs strained-layer superlattices with type-II (staggered) energy offsets on GaSb substrates, were modeled using eight-band k˙p simulations to analyze the superlattice miniband energies. Three different zero-stress strain balance conditions are reported: fixed superlattice period thickness, fixed InAs well thickness, and fixed InxGa1-xSb 1-yNy barrier thickness. Optoelectronics have traditionally been the realm of III-V semiconductors due to their direct band gap, while integrated circuit chips have been the realm of Group IV semiconductors such as silicon because of its relative abundance and ease of use. Recently the alloying of Sn with Ge and Si has been shown to allow direct band-gap light emission. This presents the exciting prospect of integrating optoelectronics into current Group IV chip fabrication facilities. However, new approaches for low temperature growth are needed to realize these new SiGeSn alloys. Silicon-germanium epitaxy via ultra-high vacuum chemical vapor deposition has the advantage of allowing low process temperatures. Deposition processes are sensitive to substrate surface preparation and the time delay between oxide removal and epitaxial growth. A new monitoring process utilizing doped substrates and defect decoration etching is demonstrated to have controllable and unique sensitivity to interfacial contaminants. Doped substrates were prepared and subjected to various loading conditions prior to the growth of typical Si/SiGe bilayers. The defect densities were correlated to the concentration of interfacial oxygen suggesting this monitoring process may be an effective complement to monitoring via secondary ion mass spectrometry

A COMPARATIVE STUDY OF EFFICACY OF HYOSCINE BROMIDE (IV VERSUS TRAMADOL (IM VERSUS PARACETAMOL (IV ON CERVICAL DILATATION IN ACTIVE LABOUR

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Sampathukumari S

2016-09-01

Full Text Available Labour is a natural process, which involves a series of regular and progressive uterine contractions causing effacement and dilatation of cervix leading to birth of the baby. In order to minimise the perinatal morbidity and mortality caused by the prolonged labour, several drugs have been tried to hasten the process of cervical dilatation and this study in one such exercise. AIM OF THE STUDY 1 To compare the efficacy of Hyoscine Bromide (IV vs. Tramadol (IM vs. Paracetamol (IV on cervical dilatation in active labour. 2 To compare the duration of active phase of labour. 150 full-term women with gestational age 37-42 weeks, primi and multi singleton pregnancy with cephalic presentation in active labour were included in the study. Cases were divided into 3 groups - Group A: 50 cases of labour accelerated by Hyoscine Bromide 20 mg (IV, Group B: 50 cases of labour accelerated by Tramadol 50 mg (IM and Group C: 50 cases of labour accelerated by Paracetamol 500 mg (IV. Mean duration of active phase of 1st stage of labour was 3 hrs. 8 mins. (primi and 2 hrs. 3 mins. (multi in Hyoscine Bromide group and 4 hrs. 8 mins. (primi and 3 hrs. 5 mins. (multi in Tramadol group and 4 hrs. 2 mins. (primi and 2 hrs. 5 mins. (multi in Paracetamol group. Mean rate of cervical dilatation was 1.5 cm/hr (primi and 2.6 cm/hr (multi in Hyoscine Bromide group, 1.2 cm/hr (primi and 1.6 cm/hr (multi in Tramadol group and 1.3 cm/hr (primi and 1.6 cm/hr (multi in the Paracetamol group. The difference between the groups A and B and A and C is significant (p=0.0001 and thus it is concluded that Hyoscine Bromide hastened the rate of cervical dilatation and reduced the duration of active phase of 1 st stage of labour. Divide the abstract into materials and methods, results and conclusion.

[New classification of Crowe type IV developmental dysplasia of the hip].

Science.gov (United States)

Ma, Hai-yang; Zhou, Yong-gang; Zheng, Chong; Cao, Wen-zhe; Wang Sen; Wu, Wen-ming; Piao, Shang; Du, Yin-qiao

2016-02-01

To compare differences between Crowe IV developmental dysplasia of the hip (DDH) with secondary acetabulum and Crowe IV DDH without secondary acetabulum,and determine whether it is necessary to divide Crowe IV DDH into two subtypes. From June 2007 to May 2015,145 hips of 112 Crowe N patients who underwent total hip arthroplasty (THA) using S-ROM stem were divided into two groups: secondary acetabulum formaton group (group A) and no secondary acetabulum formaton group (group B). In group A,there were 12 females, 96 males,with an average age of (39.38 ± 11.19) years old. In group B, there were 2 females, 35 males, with an average age of (38.19 ± 10.92) years old. All the patients were evaluated by using Harris Hip Score. Radiographic evaluations were made preoperatively and during follow up. The differences between two groups were compared on dislocation height, canal flare index (CFI), subtrochanteric shortening osteotomy (SSTO) usage, pre- and post-operation Harris scores, complications. The dislocation height for group A was (4.74 ± 1.57) cm, while the dislocation height for group B was (3.12 ± 1.15) cm. Significantly difference was detected between two groups. The CFI for group A was 2.69 ± 0.68, while the CFI for group B was 3.42 ± 0.79, and the significantly difference was detected between two groups. Harris scores were totally improved from 58.18 ± 15.67 preoperatively to 91.20 ± 3.79 post-operatively and the difference was significant. Pre-operative Harris scores was 58.1 ± 15.3 in group A, 58.3 ± 16.9 in group B. Post-operative Harris scores was 91.0 ± 4.1 in group A, 91.0 ± 5.1 in group B. No significant difference was found on Harris scores between A and B preoperatively and post-operatively. Complications of 4 cases peri-prosthesis fracture, 4 cases dislocation and 4 cases nerve injury occur in group A; While only one case dislocation and one case nerve injury occur in group B. No statistical significance was detected. Crowe IV DDH with

Study of two examples of non linear interaction of a laser wave with matter: laser-induced damage of dielectrics and non linear optical properties of organometallic molecules in solution

International Nuclear Information System (INIS)

Gaudry, Jean-Baptiste

2000-01-01

This research thesis reports the study of two mechanisms of non linear interaction of a laser wave with matter. More particularly, it reports the experimental investigation of non linear optical properties of organometallic molecules in solution, as well as the damage of perfect silica under laser irradiation by using simulation codes. As far as optical properties are concerned, the author highlights the influence of the electronic configuration of the metal present in the organometallic compound, and the influence of the ligand on the second-order non-linear response. As far as the simulation is concerned, some experimental results have been reproduced. This work can be useful for the investigation of the extrinsic damage of imperfect materials, and for the design of experiments of transient measurements of excited silica [fr

Reactive surface organometallic complexes observed using dynamic nuclear polarization surface enhanced NMR spectroscopy

KAUST Repository

Pump, Eva; Viger-Gravel, Jasmine; Abou-Hamad, Edy; Samantaray, Manoja; Hamzaoui, Bilel; Gurinov, Andrei; Anjum, Dalaver H.; Gajan, David; Lesage, Anne; Bendjeriou-Sedjerari, Anissa; Emsley, Lyndon; Basset, Jean-Marie

2016-01-01

Dynamic Nuclear Polarization Surface Enhanced NMR Spectroscopy (DNP SENS) is an emerging technique that allows access to high-sensitivity NMR spectra from surfaces. However, DNP SENS usually requires the use of radicals as an exogenous source of polarization, which has so far limited applications for organometallic surface species to those that do not react with the radicals. Here we show that reactive surface species can be studied if they are immobilized inside porous materials with suitably small windows, and if bulky nitroxide bi-radicals (here TEKPol) are used as the polarization source and which cannot enter the pores. The method is demonstrated by obtaining significant DNP enhancements from highly reactive complelxes [(equivalent to Si-O-)W(Me)(5)] supported on MCM-41, and effects of pore size (6.0, 3.0 and 2.5 nm) on the performance are discussed.

Reactive surface organometallic complexes observed using dynamic nuclear polarization surface enhanced NMR spectroscopy

KAUST Repository

Pump, Eva

2016-08-15

Dynamic Nuclear Polarization Surface Enhanced NMR Spectroscopy (DNP SENS) is an emerging technique that allows access to high-sensitivity NMR spectra from surfaces. However, DNP SENS usually requires the use of radicals as an exogenous source of polarization, which has so far limited applications for organometallic surface species to those that do not react with the radicals. Here we show that reactive surface species can be studied if they are immobilized inside porous materials with suitably small windows, and if bulky nitroxide bi-radicals (here TEKPol) are used as the polarization source and which cannot enter the pores. The method is demonstrated by obtaining significant DNP enhancements from highly reactive complelxes [(equivalent to Si-O-)W(Me)(5)] supported on MCM-41, and effects of pore size (6.0, 3.0 and 2.5 nm) on the performance are discussed.

Synthesis and evaluation of artificial antigens for astragaloside IV

Directory of Open Access Journals (Sweden)

Sheng-lan Yu

Full Text Available The objective of this study was to produce artificial antigens for astragaloside IV that could be used to prepare antibodies against astragaloside IV screened in Radix astragali (Astragalus membranaceus (Fisch Bunge, Fabaceae and its preparations, using an indirect ELISA. Astragaloside IV was coupled to carrier proteins, bovine serum albumin and ovalbumin using the sodium periodate method and was then evaluated using SDS-PAGE, MALDI-TOF MS and animal immunizations. The coupling ratio of astragaloside IV to bovine serum albumin ratio was determined to be thirteen, and the indirect ELISA demonstrated that three groups of mice immunized with astragaloside IV-bovine serum albumin produced anti-astragaloside IV- bovine serum albumin-specific antibody, with a minimum serum titer of 1:9600. A method for synthesizing highly immunogenic astragaloside IV artificial antigens was successfully developed thus indicating its feasibility in the establishment of a fast immunoassay for astragaloside IV content determination in Radix astragali and its products.

Mechanistic Studies at the Interface Between Organometallic Chemistry and Homogeneous Catalysis

Energy Technology Data Exchange (ETDEWEB)

Casey, Charles P

2012-11-14

Mechanistic Studies at the Interface Between Organometallic Chemistry and Homogeneous Catalysis Charles P. Casey, Principal Investigator Department of Chemistry, University of Wisconsin - Madison, Madison, Wisconsin 53706 Phone 608-262-0584 FAX: 608-262-7144 Email: casey@chem.wisc.edu http://www.chem.wisc.edu/main/people/faculty/casey.html Executive Summary. Our goal was to learn the intimate mechanistic details of reactions involved in homogeneous catalysis and to use the insight we gain to develop new and improved catalysts. Our work centered on the hydrogenation of polar functional groups such as aldehydes and ketones and on hydroformylation. Specifically, we concentrated on catalysts capable of simultaneously transferring hydride from a metal center and a proton from an acidic oxygen or nitrogen center to an aldehyde or ketone. An economical iron based catalyst was developed and patented. Better understanding of fundamental organometallic reactions and catalytic processes enabled design of energy and material efficient chemical processes. Our work contributed to the development of catalysts for the selective and mild hydrogenation of ketones and aldehydes; this will provide a modern green alternative to reductions by LiAlH4 and NaBH4, which require extensive work-up procedures and produce waste streams. (C5R4OH)Ru(CO)2H Hydrogenation Catalysts. Youval Shvo described a remarkable catalytic system in which the key intermediate (C5R4OH)Ru(CO)2H (1) has an electronically coupled acidic OH unit and a hydridic RuH unit. Our efforts centered on understanding and improving upon this important catalyst for reduction of aldehydes and ketones. Our mechanistic studies established that the reduction of aldehydes by 1 to produce alcohols and a diruthenium bridging hydride species occurs much more rapidly than regeneration of the ruthenium hydride from the diruthenium bridging hydride species. Our mechanistic studies require simultaneous transfer of hydride from ruthenium to

Dissolved oxygen sensing using organometallic dyes deposited within a microfluidic environment

Science.gov (United States)

Chen, Q. L.; Ho, H. P.; Jin, L.; Chu, B. W.-K.; Li, M. J.; Yam, V. W.-W.

2008-02-01

This work primarily aims to integrate dissolved oxygen sensing capability with a microfluidic platform containing arrays of micro bio-reactors or bio-activity indicators. The measurement of oxygen concentration is of significance for a variety of bio-related applications such as cell culture and gene expression. Optical oxygen sensors based on luminescence quenching are gaining much interest in light of their low power consumption, quick response and high analyte sensitivity in comparison to similar oxygen sensing devices. In our microfluidic oxygen sensor device, a thin layer of oxygen-sensitive luminescent organometallic dye is covalently bonded to a glass slide. Micro flow channels are formed on the glass slide using patterned PDMS (Polydimethylsiloxane). Dissolved oxygen sensing is then performed by directing an optical excitation probe beam to the area of interest within the microfluidic channel. The covalent bonding approach for sensor layer formation offers many distinct advantages over the physical entrapment method including minimizing dye leaching, ensuring good stability and fabrication simplicity. Experimental results confirm the feasibility of the device.

Medical students benefit from the use of ultrasound when learning peripheral IV techniques.

Science.gov (United States)

Osborn, Scott R; Borhart, Joelle; Antonis, Michael S

2012-03-06

Recent studies support high success rates after a short learning period of ultrasound IV technique, and increased patient and provider satisfaction when using ultrasound as an adjunct to peripheral IV placement. No study to date has addressed the efficacy for instructing ultrasound-naive providers. We studied the introduction of ultrasound to the teaching technique of peripheral IV insertion on first- and second-year medical students. This was a prospective, randomized, and controlled trial. A total of 69 medical students were randomly assigned to the control group with a classic, landmark-based approach (n = 36) or the real-time ultrasound-guided group (n = 33). Both groups observed a 20-min tutorial on IV placement using both techniques and then attempted vein cannulation. Students were given a survey to report their results and observations by a 10-cm visual analog scale. The survey response rate was 100%. In the two groups, 73.9% stated that they attempted an IV previously, and 63.7% of students had used an ultrasound machine prior to the study. None had used ultrasound for IV access prior to our session. The average number of attempts at cannulation was 1.42 in either group. There was no difference between the control and ultrasound groups in terms of number of attempts (p = 0.31). In both groups, 66.7% of learners were able to cannulate in one attempt, 21.7% in two attempts, and 11.6% in three attempts. The study group commented that they felt they gained more knowledge from the experience (p students feel they learn more when using ultrasound after a 20-min tutorial to place IVs and cannulation of the vein feels easier. Success rates are comparable between the traditional and ultrasound teaching approaches.

Phase Transition Enthalpy Measurements of Organic and Organometallic Compounds and Ionic Liquids. Sublimation, Vaporization, and Fusion Enthalpies from 1880 to 2015. Part 2. C11-C192

Science.gov (United States)

Acree, William; Chickos, James S.

2017-03-01

The second part of this compendium concludes with a collection of phase change enthalpies of organic molecules inclusive of C11-C192 reported over the period 1880-2015. Also included are phase change enthalpies including fusion, vaporization, and sublimation enthalpies for organometallic, ionic liquids, and a few inorganic compounds. Paper I of this compendium, published separately, includes organic compounds from C1 to C10 and describes a group additivity method for evaluating solid, liquid, and gas phase heat capacities as well as temperature adjustments of phase changes. Paper II of this compendium also includes an updated version of a group additivity method for evaluating total phase change entropies which together with the fusion temperature can be useful in estimating total phase change enthalpies. Other uses include application in identifying potential substances that either form liquid or plastic crystals or exhibit additional phase changes such as undetected solid-solid transitions or behave anisotropically in the liquid state.

Transition-metal-doped group-IV monochalcogenides: a combination of two-dimensional triferroics and diluted magnetic semiconductors

Science.gov (United States)

Yang, Liu; Wu, Menghao; Yao, Kailun

2018-05-01

We report the first-principles evidence of a series of two-dimensional triferroics (ferromagnetic + ferroelectric + ferroelastic), which can be obtained by doping transition-metal ions in group-IV monochalcogenide (SnS, SnSe, GeS, GeSe) monolayers, noting that a ferromagnetic Fe-doped SnS2 monolayer has recently been realized (Li B et al 2017 Nat. Commun. 8 1958). The ferroelectricity, ferroelasticity and ferromagnetism can be coupled and the magnetization direction may be switched upon ferroelectric/ferroelastic switching, rendering electrical writing + magnetic reading possible. They can be also two-dimensional half-metals or diluted magnetic semiconductors, where p/n channels or even multiferroic tunneling junctions can be designed by variation in doping and incorporated into a monolayer wafer.

Safety assessment for Generation IV nuclear systems

International Nuclear Information System (INIS)

Leahy, T.J.

2012-01-01

The Generation IV International Forum (GIF) Risk and Safety Working Group (RSWG) was created to develop an effective approach for the safety of Generation IV advanced nuclear energy systems. Recent RSWG work has focused on the definition of an integrated safety assessment methodology (ISAM) for evaluating the safety of Generation IV systems. ISAM is an integrated 'tool-kit' consisting of 5 analytical techniques that are available and matched to appropriate stages of Generation IV system concept development: 1) qualitative safety features review - QSR, 2) phenomena identification and ranking table - PIRT, 3) objective provision tree - OPT, 4) deterministic and phenomenological analyses - DPA, and 5) probabilistic safety analysis - PSA. The integrated methodology is intended to yield safety-related insights that help actively drive the evolving design throughout the technology development cycle, potentially resulting in enhanced safety, reduced costs, and shortened development time

Adriamycin continuous i.v. infusion for the treatment of childhood hepatic malignancies, toxicity and efficacy: a pilot study childrens cancer study group

International Nuclear Information System (INIS)

Ortega, J.A.; Feusner, J.; Reaman, G.; Woods, W.

1986-01-01

In an effort to increase the number of patients with hepatoblastoma and hepatocellular carcinoma receiving the benefits of complete surgical excision, a pilot study was undertaken at a few Childrens Cancer Study Group institutions. For this purpose, repeated courses of adriamycin administered as a continuous I.V. infusion either singly or in combination with c-platinum and radiation therapy treatment was selected. The patient population consisted of a total of eleven children with primary hepatic malignancies: six children had hepatoblastoma; all six were under two years of age at diagnosis. Five patients with hepatocellular carcinoma were entered to the study. Of the eleven patients, four had previously received adriamycin as an I.V. bolus. A table summarizes the patient's characteristics, the adriamycin dose they received and their responses to therapy

Organometallic Pt precursor on graphite substrate: deposition from SC CO2, reduction and morphology transformation as revealed by SFM

International Nuclear Information System (INIS)

Elmanovich, Igor V.; Naumkin, Alexander V.; Gallyamov, Marat O.; Khokhlov, Alexei R.

2012-01-01

Organometallic Pt precursor was deposited on model highly oriented pyrolytic graphite substrate from solutions in supercritical carbon dioxide. Morphology transformations during reduction process including real-time observations were studied by scanning force microscopy (SFM). We confirmed that SC CO 2 is a promising mediator in deposition process even for rather hydrophobic supports. SFM data show that thermal decomposition of the PtMe 2 (COD) precursor with subsequent hydrogen post-treatment allows one to obtain rather pure and well-defined Pt nanoparticles with average height above a substrate level of 4.5 ± 0.6 nm.

First principles calculation of material properties of group IV elements and III-V compounds

Science.gov (United States)

Malone, Brad Dean

This thesis presents first principles calculations on the properties of group IV elements and group III-V compounds. It includes investigations into what structure a material is likely to form in, and given that structure, what are its electronic, optical, and lattice dynamical properties as well as what are the properties of defects that might be introduced into the sample. The thesis is divided as follows: • Chapter 1 contains some of the conceptual foundations used in the present work. These involve the major approximations which allow us to approach the problem of systems with huge numbers of interacting electrons and atomic cores. • Then, in Chapter 2, we discuss one of the major limitations to the DFT formalism introduced in Chapter 1, namely its inability to predict the quasiparticle spectra of materials and in particular the band gap of a semiconductor. We introduce a Green's function approach to the electron self-energy Sigma known as the GW approximation and use it to compute the quasiparticle band structures of a number of group IV and III-V semiconductors. • In Chapter 3 we present a first-principles study of a number of high-pressure metastable phases of Si with tetrahedral bonding. The phases studied include all experimentally determined phases that result from decompression from the metallic beta-Sn phase, specifically the BC8 (Si-III), hexagonal diamond (Si-IV), and R8 (Si-XII). In addition to these, we also study the hypothetical ST12 structure found upon decompression from beta-Sn in germanium. • Our attention is then turned to the first principles calculations of optical properties in Chapter 4. The Bethe-Salpeter equation is then solved to obtain the optical spectrum of this material including electron-hole interactions. The calculated optical spectrum is compared with experimental data for other forms of silicon commonly used in photovoltaic devices, namely the cubic, polycrystalline, and amorphous forms. • In Chapter 5 we present

Separation method for ions of elements of the III., IV., VI. and VIII. groups of periodical system

International Nuclear Information System (INIS)

Marhol, M.

1973-01-01

The method is presented of separating the ions of the elements of the periodic system groups III, IV, and VIII by ion exchangers. The ions are complex-bonded to a new type of ion exchanger consisting of the polycondensates of phenol with aldehydes or ketones and containing an atom of phosphorus, arsenic or antimony with an atom of sulphur or oxygen in a complex bond. The polymers of compounds containing a double bond, e.g., of butadiene, polyvinyl alcohol, polyethylene, polypropylene, and the compounds of styrene with fural may also be used for this purpose. The method is demonstrated on a case of uranium and heavy metal concentration and the separation thereof from waste waters. (L.K.)

PEALD grown high-k ZrO{sub 2} thin films on SiC group IV compound semiconductor

Energy Technology Data Exchange (ETDEWEB)

Khairnar, A. G., E-mail: agkhairnar@gmail.com; Patil, V. S.; Agrawal, K. S.; Salunke, R. S.; Mahajan, A. M., E-mail: ammahajan@nmu.ac.in [North Maharashtra University, Department of Electronics, School of Physical Sciences (India)

2017-01-15

The study of ZrO{sub 2} thin films on SiC group IV compound semiconductor has been studied as a high mobility substrates. The ZrO{sub 2} thin films were deposited using the Plasma Enhanced Atomic Layer Deposition System. The thickness of the thin films were measured using ellipsometer and found to be 5.47 nm. The deposited ZrO{sub 2} thin films were post deposition annealed in rapid thermal annealing chamber at temperature of 400°Ð¡. The atomic force microscopy and X-гау photoelectron spectroscopy has been carried out to study the surface topography, roughness and chemical composition of thin film, respectively.

High-Permeability Magnetic Polymer Additives for Lightweight Electromagnetic Shielding

Science.gov (United States)

2015-08-01

incorporation) or chemical incorporation as part of the polymer chain backbone or linked as pendant groups.13 Many transition-metal organometallic...10.1002/9781119951438. 15. Poli R. Open-shell organometallics as a bridge between Werner-type and low-valent organometallic complexes: the effect

Hybrid Organometallic-Inorganic Nanomaterial: Acetyl Ferrocene Schiff base Immobilized on Silica Coated Magnetite Nanoparticles

Directory of Open Access Journals (Sweden)

M. Masteri-Farahani

2015-10-01

Full Text Available In  this  work,  a  new  hybrid  organometallic-inorganic  hybrid nanomaterial was prepared by immobilization of acetyl ferrocene on the  surface  of magnetite  nanoparticles. Covalent  grafting of silica coated magnetite nanoparticles (SCMNPs with 3-aminopropyl triethoxysilane gave aminopropyl-modified magnetite nanoparticles (AmpSCMNPs. Then, Schiff base condensation  of AmpSCMNPs with acetyl  ferrocene resulted in the preparation of acferro-SCMNPs hybrid nanomaterial. Characterization of the prepared nanomaterial was performed with different physicochemical methods such as Fourier transform infrared spectroscopy (FT-IR, X-ray diffraction (XRD, vibrating sample magnetometry (VSM, thermogravimetric analysis (TGA, scanning electron microscopy (SEM, and transmission electron microscopy (TEM. VSM analysis showed superparamagnetic properties of the prepared nanomaterial and TEM and SEM analyses indicated the relatively spherical nanoparticles with 15 nm average size.

MACKLIB-IV: a library of nuclear response functions generated with the MACK-IV computer program from ENDF/B-IV

International Nuclear Information System (INIS)

Gohar, Y.; Abdou, M.A.

1978-03-01

MACKLIB-IV employs the CTR energy group structure of 171 neutron groups and 36 gamma groups. A retrieval computer program is included with the library to permit collapsing into any other energy group structure. The library is in the new format of the ''MACK-Activity Table'' which uses a fixed position for each specific response function. This permits the user when employing the library with present transport codes to obtain directly the nuclear responses (e.g. the total nuclear heating) summed for all isotopes and integrated over any geometrical volume. The response functions included in the library are neutron kerma factor, gamma kerma factor, gas production and tritium-breeding functions, and all important reaction cross sections. Pertinent information about the library and a graphical display of six response functions for all materials in the library are given

Organometallic Routes into the Nanorealms of Binary Fe-Si Phases

Directory of Open Access Journals (Sweden)

Teddy M. Keller

2010-02-01

Full Text Available The Fe-Si binary system provides several iron silicides that have varied and exceptional material properties with applications in the electronic industry. The well known Fe-Si binary silicides are Fe3Si, Fe5Si3, FeSi, a-FeSi2 and b-FeSi2. While the iron-rich silicides Fe3Si and Fe5Si3 are known to be room temperature ferromagnets, the stoichiometric FeSi is the only known transition metal Kondo insulator. Furthermore, Fe5Si3 has also been demonstrated to exhibit giant magnetoresistance (GMR. The silicon-rich b-FeSi2 is a direct band gap material usable in light emitting diode (LED applications. Typically, these silicides are synthesized by traditional solid-state reactions or by ion beam-induced mixing (IBM of alternating metal and silicon layers. Alternatively, the utilization of organometallic compounds with reactive transition metal (Fe-carbon bonds has opened various routes for the preparation of these silicides and the silicon-stabilized bcc- and fcc-Fe phases contained in the Fe-Si binary phase diagram. The unique interfacial interactions of carbon with the Fe and Si components have resulted in the preferential formation of nanoscale versions of these materials. This review will discuss such reactions.

Crystal structure of ammonium octacyanomolybdate(IV) and rubidium octacyanomolybdate(IV)

Energy Technology Data Exchange (ETDEWEB)

Semenishin, D.I.; Glovyak, T.; Mys' kiv, M.G.

1985-11-01

The crystal structure of ammonium octacyanomolybdate(IV) and rubidium octacyanomolybdate(IV) has been determined by the single-crystal method on a Syntex P2/sub 1/ automatic diffractometer: ((NH/sub 4/)/sub 4/ Mo(CN)/sub 4/) 0.5H/sub 2/O (I) (space group Pma2, a = 15.550(3), b = 14.118(3), c = 7.438(1) A, Z = 4, R = 0.062) and Rb/sub 4/(Mo(CN)/sub 8/). 3H/sub 2/O (II) (space group P4/sub 1/2/sub 1/2, a = 9.300(10, c = 21.807(3) A, Z = 4, R = 0.065). The Mo atoms in structure I occupy two special positions (2(b) and 2(c)) and are each surrounded by eight CN ligands. The mean value of the Mo-C distances for Mo(1) is equal to 2.216 A, and the corresponding value for Mo(2) is 2.235 A. The mean Mo-N lengths are practically identical in both molybdenum anions and are equal to 3.353 A. The mean values of the C identical with N bond lengths in the Mo(1) and Mo(2) anions are 1.118 and 1.137 A, respectively. The MoCn angles vary from 175.0 to 178.4/sup 0/. The coordination sphere of the Mo(1) atom corresponds to a dodecahedron with a single twofold symmetry axis, and the coordination polyhedron of the Mo(2) atom in an antiprism of m symmetry. In structure II the Mo-C distances are within the 2.130-2.160-A range, and the Mo-N distances range from 3.290 to 3.307 A. The MoCN angles vary from 176.0 to 179.3/sup 0/, and the coordination polyhedron of (MoC/sub 8/) is a dodecahedron of 2 symmetry. The existence of two types of coordination of Mo in structure I is presently the only example among the structurally studied octahyanomolybdates(IV).

Air-tolerant C–C bond formation via organometallic ruthenium catalysis: diverse catalytic pathways involving (C5Me5)Ru or (C5H5)Ru are robust to molecular oxygen

Czech Academy of Sciences Publication Activity Database

Severa, Lukáš; Vávra, Jan; Kohoutová, Anna; Čížková, Martina; Šálová, Tereza; Hývl, Jakub; Šaman, David; Pohl, Radek; Adriaenssens, Louis; Teplý, Filip

2009-01-01

Roč. 50, č. 31 (2009), s. 4526-4528 ISSN 0040-4039 Institutional research plan: CEZ:AV0Z40550506 Keywords : ruthenium * organometallic catalysis * [2+2+2] cycloaddition * terminal alkynes Subject RIV: CC - Organic Chemistry Impact factor: 2.660, year: 2009

CVD of SiC and AlN using cyclic organometallic precursors

Science.gov (United States)

Interrante, L. V.; Larkin, D. J.; Amato, C.

1992-01-01

The use of cyclic organometallic molecules as single-source MOCVD precursors is illustrated by means of examples taken from our recent work on AlN and SiC deposition, with particular focus on SiC. Molecules containing (AlN)3 and (SiC)2 rings as the 'core structure' were employed as the source materials for these studies. The organoaluminum amide, (Me2AlNH2)3, was used as the AlN source and has been studied in a molecular beam sampling apparatus in order to determine the gas phase species present in a hot-wall CVD reactor environment. In the case of SiC CVD, a series of disilacyclobutanes (Si(XX')CH2)2 (with X and X' = H, CH3, and CH2SiH2CH3), were examined in a cold-wall, hot-stage CVD reactor in order to compare their relative reactivities and prospective utility as single-source CVD precursors. The parent compound, disilacyclobutane, (SiH2CH2)2, was found to exhibit the lowest deposition temperature (ca. 670 C) and to yield the highest purity SiC films. This precursor gave a highly textured, polycrystalline film on the Si(100) substrates.

DFT and time-resolved IR investigation of electron transfer between photogenerated 17- and 19-electron organometallic radicals

Energy Technology Data Exchange (ETDEWEB)

Cahoon, James B.; Kling, Matthias F.; Sawyer, Karma R.; Andersen, Lars K.; Harris, Charles B.

2008-04-30

The photochemical disproportionation mechanism of [CpW(CO){sub 3}]{sub 2} in the presence of Lewis bases PR{sub 3} was investigated on the nano- and microsecond time-scales with Step-Scan FTIR time-resolved infrared spectroscopy. 532 nm laser excitation was used to homolytically cleave the W-W bond, forming the 17-electron radicals CpW(CO){sub 3} and initiating the reaction. With the Lewis base PPh{sub 3}, disproportionation to form the ionic products CpW(CO){sub 3}PPh{sub 3}{sup +} and CpW(CO){sub 3}{sup -} was directly monitored on the microsecond time-scale. Detailed examination of the kinetics and concentration dependence of this reaction indicates that disproportionation proceeds by electron transfer from the 19-electron species CpW(CO){sub 3}PPh{sub 3} to the 17-electron species CpW(CO){sub 3}. This result is contrary to the currently accepted disproportionation mechanism which predicts electron transfer from the 19-electron species to the dimer [CpW(CO){sub 3}]{sub 2}. With the Lewis base P(OMe){sub 3} on the other hand, ligand substitution to form the product [CpW(CO){sub 2}P(OMe){sub 3}]{sub 2} is the primary reaction on the microsecond time-scale. Density Functional Theory (DFT) calculations support the experimental results and suggest that the differences in the reactivity between P(OMe){sub 3} and PPh{sub 3} are due to steric effects. The results indicate that radical-to-radical electron transfer is a previously unknown but important process for the formation of ionic products with the organometallic dimer [CpW(CO){sub 3}]{sub 2} and may also be applicable to the entire class of organometallic dimers containing a single metal-metal bond.

Protective Actions of 17β-Estradiol and Progesterone on Oxidative Neuronal Injury Induced by Organometallic Compounds

Directory of Open Access Journals (Sweden)

Yasuhiro Ishihara

2015-01-01

Full Text Available Steroid hormones synthesized in and secreted from peripheral endocrine glands pass through the blood-brain barrier and play a role in the central nervous system. In addition, the brain possesses an inherent endocrine system and synthesizes steroid hormones known as neurosteroids. Increasing evidence shows that neuroactive steroids protect the central nervous system from various harmful stimuli. Reports show that the neuroprotective actions of steroid hormones attenuate oxidative stress. In this review, we summarize the antioxidative effects of neuroactive steroids, especially 17β-estradiol and progesterone, on neuronal injury in the central nervous system under various pathological conditions, and then describe our recent findings concerning the neuroprotective actions of 17β-estradiol and progesterone on oxidative neuronal injury induced by organometallic compounds, tributyltin, and methylmercury.

DSM-IV-defined anxiety disorder symptoms in a middle-childhood-aged group of Malaysian children using the Spence Children's Anxiety Scale

OpenAIRE

Atefeh Ahmadi; Mohamed Sharif Mustaffa; Amirmudin Udin; AliAkbar Haghdoost

2016-01-01

Introduction Pediatric anxiety disorders are the most common mental health disorders in the middle-childhood age group. The purpose of this study is to assess anxiety disorder symptoms, as defined by the Diagnostic and Statistical Manual of Mental Disorders, 4th edition (DSM-IV), in a large community sample of low socioeconomic level rural children and to investigate some of the psychometric properties (internal consistency, construct and convergent validity and items rated as often or always...

Group B Strep Infection

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... IV) to kill the germs. If you take antibiotics while you’re in labor, the chances are very good that your baby won’t get this infection. What if my baby has group B strep? If your baby gets group B strep, he or she will be treated with IV antibiotics to kill the bacteria. Your baby will stay ...

Test Review: Advanced Clinical Solutions for WAIS-IV and WMS-IV

Science.gov (United States)

Chu, Yiting; Lai, Mark H. C.; Xu, Yining; Zhou, Yuanyuan

2012-01-01

The authors review the "Advanced Clinical Solutions for WAIS-IV and WMS-IV". The "Advanced Clinical Solutions (ACS) for the Wechsler Adult Intelligence Scale-Fourth Edition" (WAIS-IV; Wechsler, 2008) and the "Wechsler Memory Scale-Fourth Edition" (WMS-IV; Wechsler, 2009) was published by Pearson in 2009. It is a…

Validity of the WISC-IV Spanish for a clinically referred sample of Hispanic children.

Science.gov (United States)

San Miguel Montes, Liza E; Allen, Daniel N; Puente, Antonio E; Neblina, Cris

2010-06-01

The Wechsler Intelligence Scale for Children (WISC) is the most commonly used intelligence test for children. Five years ago, a Spanish version of the WISC-IV was published (WISC-IV Spanish; Wechsler, 2005), but a limited amount of published information is available regarding its utility when assessing clinical samples. The current study included 107 children who were Spanish speaking and of Puerto Rican descent that had been administered the WISC-IV Spanish. They were subdivided into a clinical sample of 35 children with diagnoses of various forms of brain dysfunction (primarily learning disability, attention-deficit/hyperactivity disorder, and epilepsy) and a comparison group made up of 72 normal children who were part of the WISC-IV Spanish version standardization sample. Comparisons between these groups and the standardization sample were performed for the WISC-IV Spanish index and subtest scores. Results indicated that the clinical sample performed worse than the comparison samples on the Working Memory and Processing Speed Indexes, although findings varied to some extent depending on whether the clinical group was compared with the normal comparison group or the standardization sample. These findings provide support for the criterion validity of the WISC-IV Spanish when it is used to assess a clinically referred sample with brain dysfunction.

A silica-supported double-decker silsesquioxane provides a second skin for the selective generation of bipodal surface organometallic complexes

KAUST Repository

Espinas, Jeff

2012-11-12

A well-defined silica-based material with a homogeneous nanolayer presenting identical pairs of vicinal silanols has been prepared by reaction of the surface organometallic species [≡SiOZr(CH 2CMe 3) 3], obtained on a silica dehydroxylated at 900 °C, with the double-decker-shaped silsesquioxane (OH) 2DD(OH) 2. The surface structure has been established using extensive NMR characterization ( 1H, 13C, 29Si, HETCOR, double-quantum, triple-quantum). Treatment with Zr(CH 2CMe 3) 4 leads to the first well-defined single-site bipodal grafted bis-neopentyl zirconium complex. © 2012 American Chemical Society.

A silica-supported double-decker silsesquioxane provides a second skin for the selective generation of bipodal surface organometallic complexes

KAUST Repository

Espinas, Jeff; Pelletier, Jeremie; Abou-Hamad, Edy; Emsley, Lyndon; Basset, Jean-Marie

2012-01-01

A well-defined silica-based material with a homogeneous nanolayer presenting identical pairs of vicinal silanols has been prepared by reaction of the surface organometallic species [≡SiOZr(CH 2CMe 3) 3], obtained on a silica dehydroxylated at 900 °C, with the double-decker-shaped silsesquioxane (OH) 2DD(OH) 2. The surface structure has been established using extensive NMR characterization ( 1H, 13C, 29Si, HETCOR, double-quantum, triple-quantum). Treatment with Zr(CH 2CMe 3) 4 leads to the first well-defined single-site bipodal grafted bis-neopentyl zirconium complex. © 2012 American Chemical Society.

Direct complexonometric determination of thorium (IV), uranium (IV), neptunium (IV), plutonium (IV) by titration of diethylenetriaminepentaacetic acid with xylenol orange as indicator

International Nuclear Information System (INIS)

Rykov, A.G.; Piskunov, E.M.; Timofeev, G.A.

1975-01-01

The purpose of the present work was to develop a method of determining Th(IV), U(IV), Np(N) and Pu(IV) in acid solutions by titration with diethylenetriamine pentacetic acid, the indicator being xylenol orange. It has been established that Th, U, Np and Pu can be determined to within 0.5-1.5%. Th and U in quantities of tens of milligrams can be determined with greater accuracy, attaining hundredths of one per cent. During titration the determination is not hindered by singly- and doubly-charged metal ions, trivalent lanthanides and actinides, except plutonium. The proposed method can be used to determine U(IV) in the presence of considerable quantities of U(VI) and Np(IV) in the presence of Np(V). Total concentrations of uranium or neptunium are determined by reducing uranium (VI) or neptunium (V) by a standard method (for example, using metallic lead, cadmium or zinc amalgam) to the tetravalent state and applying the method described in the paper. (E.P.)

Lowered serum dipeptidyl peptidase IV activity in patients with anorexia and bulimia nervosa.

Science.gov (United States)

van West, D; Monteleone, P; Di Lieto, A; De Meester, I; Durinx, C; Scharpe, S; Lin, A; Maj, M; Maes, M

2000-01-01

The aim of this study was to examine whether anorexia nervosa and bulimia nervosa are accompanied by lower serum activity of dipeptidyl peptidase IV (DPP IV, EC 3.4.14.5), a membrane-bound serine protease that catalyses the cleavage of dipeptides from the amino-terminus of oligo- and polypeptides. Substrates of DPP IV are, amongst others, neuroactive eptides, such as substance P, growth hormone releasing hormone, neuropeptide Y, and peptide YY. DPP IV activity was measured in the serum of 21 women with anorexia nervosa, 21 women with bulimia nervosa and 18 normal women. Serum DPP IV activity was significantly lower in patients with anorexia nervosa and bulimia nervosa than in the normal controls. In the total study group, there were significant and inverse relationships between serum DPP IV activity and the total scores on the Bulimic Investigatory Test, Edinburgh, the Eating Disorder Inventory (EDI) and the Hamilton Depression Rating Scale. In the total study group no significant correlations between DPP IV and age, body weight or body mass index could be found. It is concluded that lowered serum DPP IV activity takes part in the pathophysiology of anorexia and bulimia nervosa. It is hypothesised that a combined dysregulation of DPP IV and neuroactive peptides, which are substrates of DPP IV, e.g. neuropeptide Y and peptide YY, could be an integral component of eating disorders.

The affinity plutonium(IV) for nitrogen donor ligands

International Nuclear Information System (INIS)

Jarvis, N.V.; Hancock, R.D.

1994-01-01

Established ligand design principles are used to predict the solution chemistry of Pu(IV) with nitrogen donor ligands which do not contain carboxylate donors. pK a 's of the nitrogen donors are lowered by addition of hydroxyalkyl groups causing Pu(IV) to have a greater affinity for these ligands than for hydroxide. Potentiometric studies using the ligands N,N,N'N',N''-pentakis(2-hydroxypropyl)-1,4,7-triazaheptane; N,N,N',N',N''-pentakis(2-hydroxyethyl)-1,4,7-triazaheptane; N,N,N',N',N'-tetrakis(2-hydroxyethyl)-1,2-diaminoethane; N,N,N',N'-tetrakis(2-hydroxyethyl)-trans-1,2-diaminocyclohexane; 1,4,8,11-tetrakis(2-hydroxyethyl)-1,4,8,11-tetraazacyclotetradecane and N,N-bis(2-hydroxyethyl)glycine with Pu(IV) showed that Pu(IV) has a considerable aqueous solution chemistry with these ligands. Data were processed by the ESTA library of programs and stability constants for all the systems are reported. Implications for selective ligand design for Pu(IV) are discussed. (orig.)

Bis-ligated Ti and Zr complexes of chelating N-heterocyclic carbenes

KAUST Repository

El-Batta, Amer

2011-07-01

In this communication we report the synthesis of novel titanium and zirconium complexes ligated by bidentate "salicylaldimine-like" N-heterocyclic carbenes (NHC). Double addition of the NHC chelate to either TiCl4(thf)2 or ZrCl4 forms bis-ligated organometallic fragments with a distorted octahedral geometry. These complexes are rare examples of group IV transition-metal NHC adducts. Preliminary catalytic tests demonstrate that in the presence of methylaluminoxane (MAO) these complexes are useful initiators for the polymerization of ethylene and the copolymerization of ethylene with norbornene and 1-octene. © 2011 Elsevier B.V. All rights reserved.

Validation of Nuclear Criticality Safety Software and 27 energy group ENDF/B-IV cross sections

International Nuclear Information System (INIS)

Lee, B.L. Jr.

1994-08-01

The validation documented in this report is based on calculations that were executed during June through August 1992, and was completed in June 1993. The statistical analyses in Appendix C and Appendix D were completed in October 1993. This validation gives Portsmouth NCS personnel a basis for performing computerized KENO V.a calculations using the Martin Marietta Nuclear Criticality Safety Software. The first portion of the document outlines basic information in regard to validation of NCSS using ENDF/B-IV 27-group cross sections on the IBM 3090 at ORNL. A basic discussion of the NCSS system is provided, some discussion on the validation database and validation in general. Then follows a detailed description of the statistical analysis which was applied. The results of this validation indicate that the NCSS software may be used with confidence for criticality calculations at the Portsmouth Gaseous Diffusion Plant. When the validation results are treated as a single group, there is 95% confidence that 99.9% of future calculations of similar critical systems will have a calculated K eff > 0.9616. Based on this result the Portsmouth Nuclear Criticality Safety Department has adopted the calculational acceptance criteria that a k eff + 2σ ≤ 0.95 is safety subcritical. The validation of NCSS on the IBM 3090 at ORNL was extended to include NCSS on the IBM 3090 at K-25

Diverse anisotropy of phonon transport in two-dimensional group IV-VI compounds: A comparative study

Science.gov (United States)

Qin, Guangzhao; Qin, Zhenzhen; Fang, Wu-Zhang; Zhang, Li-Chuan; Yue, Sheng-Ying; Yan, Qing-Bo; Hu, Ming; Su, Gang

2016-05-01

New classes of two-dimensional (2D) materials beyond graphene, including layered and non-layered, and their heterostructures, are currently attracting increasing interest due to their promising applications in nanoelectronics, optoelectronics and clean energy, where thermal transport is a fundamental physical parameter. In this paper, we systematically investigated the phonon transport properties of the 2D orthorhombic group IV-VI compounds of GeS, GeSe, SnS and SnSe by solving the Boltzmann transport equation (BTE) based on first-principles calculations. Despite their similar puckered (hinge-like) structure along the armchair direction as phosphorene, the four monolayer compounds possess diverse anisotropic properties in many aspects, such as phonon group velocity, Young's modulus and lattice thermal conductivity (κ), etc. Especially, the κ along the zigzag and armchair directions of monolayer GeS shows the strongest anisotropy while monolayer SnS and SnSe show almost isotropy in phonon transport. The origin of the diverse anisotropy is fully studied and the underlying mechanism is discussed in details. With limited size, the κ could be effectively lowered, and the anisotropy could be effectively modulated by nanostructuring, which would extend the applications to nanoscale thermoelectrics and thermal management. Our study offers fundamental understanding of the anisotropic phonon transport properties of 2D materials, and would be of significance for further study, modulation and applications in emerging technologies.

Effects of organometallic chelates and inulin in diets for laying hens on Mn and Fe absorption coefficients and their content in egg and tissue

Directory of Open Access Journals (Sweden)

Cornescu Gabriela Maria

2015-01-01

Full Text Available The aim of this study was to evaluate effects of organic sources of manganese (Mn and iron (Fe and inulin in diets for laying hens on absorption of these minerals and their deposition in egg and tissue. The study was conducted on 90 Lohmann Brown laying hens in the period from 46-52 weeks of age, assigned to 3 groups with 30 hens/group and 3 hens/cage. The hens from the control group (C received a diet based on corn, rice bran and soybean meal with 16% of crude protein, as well as 60 mg Fe/kg and 71.9 mg Mn/kg of diet in form of inorganic salts. The formulation of the experimental diets (E1 and E2 differed from C group diet by the replacement of inorganic Fe and Mn salts by organometallic chelates of these elements, at a level of 25% lower than in the premix for group C. As source of inulin, group E1 diet also included 0.5% of dry Jerusalem artichoke, while group E2 diet included 0.5% of a product based on chicory root extract. At the end of the experiment, 6 hens from each group were slaughtered and blood serum and liver samples were collected and assayed for concentration of Fe and Mn. In the final week of the experiment, 18 eggs/group were collected for determination of Fe and Mn concentration in egg yolk. Concentration of measured blood serum parameters (haemoglobin, haematocrit, Fe and Mn in experimental (E groups were lower than in group C, but no significant differences (P>0.05 were registered. Absorption coefficients of Mn had higher values in E groups than in group C, with significant increase (P0.05 between groups were observed for Mn and Fe concentration in egg yolk.

Synthesis and magnetic Properties of dinuclear oxovanadium(IV) complexes bridged by tetracarboxylato groups

International Nuclear Information System (INIS)

Li, Y.-T.; Guan, H.-S.; Yan, C.-W.

2004-01-01

Three novel μ-tetracarboxylato-bridged oxovanadium(IV) complexes described by the overall formula [(VO) 2 (PMTA)L 2 ] where PMTA stands for the tetraanion of pyromellitic acid, and L denotes 2,2'-bipyridine(bpy), 4,4'-dimethyl-2,2'-bipyridine (Me 2 bpy) or 1,10-phenanthroline (phen), respectively, have been synthesized and characterized by elemental analyses, molar conductivity and room-temperature magnetic moment measurements, IR, ESR, and electronic spectral studies. It is proposed that these complexes have PMTA-bridged structures and consist of two oxovanadium(IV) ions, each in the square-pyramidal environment. The [(VO) 2 (PMTA)(bpy) 2 ] (1) and [(VO) 2 (PMTA)(phen) 2 ] (2) complexes were further characterized by variable temperature (4.2 - 300 K) magnetic susceptibility measurements and the observed data were fitted to the modified Bleaney-Bowers equation by the least-squares, giving the exchange integral J = -2.75 cm -1 for (1) and J -3.91 cm -1 for (2). This results indicates that there is a weak antiferromagnetic spin-exchange interaction between the two VO 2+ ions within each molecule. (author)

Congenital bilateral neuroblastoma (stage IV-S): case report

International Nuclear Information System (INIS)

Lee, Jeong Hee; Lee, Hee Jung; Woo, Seong Ku; Lee, Sang Rak; Kim, Heung Sik

2002-01-01

Congenital neonatal neuroblastoma is not uncommon but bilateral adrenal neuroblastoma is rare, accounting for about ten percent of neuroblastomas in children. We report the US the MR findings of a stage IV-S congenital bilateral neuroblastoma occurring in a one-day-old neonate

Kinetic study of group IV nanoparticles ion beam synthesized in SiO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Bonafos, C. E-mail: bonafos@cemes.fr; Colombeau, B.; Altibelli, A.; Carrada, M.; Ben Assayag, G.; Garrido, B.; Lopez, M.; Perez-Rodriguez, A.; Morante, J.R.; Claverie, A

2001-05-01

Most studies concerning group IV (Si, Ge) ion beam synthesized nanocrystals in SiO{sub 2} have shown that a link exists between the observed physical properties and the characteristics of the 'populations' of nanoparticles (size-distribution, density, volume fraction). The aim of this paper is to study the influence of the initial supersaturation and annealing conditions on these characteristics. For this, experimental methods have been developed, that allow accurate statistical studies. Different transmission electron microscopy (TEM) imaging conditions have been tested and the most adequate ones have been identified for each system. An original method for the measurement of the density of precipitates embedded in an amorphous matrix has been developed and tested for Ge precipitates in SiO{sub 2} and has permitted to evidence a conservative Ostwald ripening during annealing. The kinetic behavior of Si nanoparticles has also been studied by coupling TEM measurements and 'atomistic' simulations. During annealing, the growth of these nanoparticles is very slow but their size significantly increases when increasing the initial Si excess. Simulations are in perfect agreement with experiment when taking into account interaction effects between particles.

[Effect of compound Puerarin on the collage IV in streptozotocin-induced diabetic nephropathy rats].

Science.gov (United States)

Li, Qiang-xiang; Zhong, Hui-ju; Gong, Han-ren; Zhu, Fei-yue; Wang, Lin-na; Shen, Dao-jun; Li, Guo; Wang, Cai-yun; Qin, Cheng-sheng

2008-04-01

To observe the effect of compound Puerarin on collagen IV of streptozotocin-induced diabetic rats. Diabetic nephropathy rats were induced by intraperitoneal injection of streptozotocin (STZ). Rats were allocated randomly to control group (10), diabetes model group (10), Vitamin C group (10), Puerarin group (10), vitamin C plus Puerarin group (10). The study period lasted for 12 weeks. During and after the treatment, the general state, blood glucose levels, glycosylated hemoglobin, blood urea nitrogen, serum collagen IV, blood urea nitrogen, serum creatinine, urinary albumin excretion rate of the 24-hour, and clearance rate of creatinine collagen IV protein were determined by immunohistochemistoche analysis as well as type the gene expression of collagen IV alpha 1 mRNA were determined by in situ hybridization analysis in the kidney tissue of different groups. (1) Diabetes mellitus and renal function lesion occurred in the four groups. (2) Vitamin C and Puerarin could improve the general conditions of diabetic Rats, decrease blood urea nitrogen [(8.68 +/- 0.43), (7.98 +/- 0.47) and (5.76 +/- 0.82) micromol/L, serum creatinine [(74.68 +/- 8.20), (75.52 +/- 7.98) and (58.66 +/- 6.65) mmol/L], and urinary albumin excretion rate of the 24-hour [(18.40 +/- 0.37), (17.24 +/- 0.30) and (9.97 +/- 1.27) mg/24 h x 10(-3)]; increase clearance rate of creatinine [(0.59 +/- 0.21), (0.61 +/- 0.14) and (0.69 +/- 0.32) ml/min], the expression of collage IV absorbance [(111.56 +/- 14.61), (110.78 +/- 9.69) and (95.44 +/- 9.97) ] in the diabetic Rats were significantly inhibited at the same time. The compound Puerarin might have some functions on preventing ren by inhibiting expression of type IV collagen.

Cognitive and Adaptive Skills in Toddlers Who Meet Criteria for Autism in DSM-IV but Not DSM-5

Science.gov (United States)

Jashar, Dasal Tenzin; Brennan, Laura A.; Barton, Marianne L.; Fein, Deborah

2016-01-01

The current study compared adaptive and cognitive skills, and autism severity of toddlers with an autism spectrum disorder (ASD) diagnosis under DSM-IV but not DSM-5 criteria (DSM-IV only group) to those who met autism criteria under both diagnostic systems (DSM-5 group) and to those without ASD (non-ASD group). The toddlers in the DSM-IV only…

Precision design of ethylene- and polar-monomer-based copolymers by organometallic-mediated radical polymerization

Science.gov (United States)

Kermagoret, Anthony; Debuigne, Antoine; Jérôme, Christine; Detrembleur, Christophe

2014-03-01

The copolymerization of ethylene with polar monomers is a major challenge when it comes to the manufacture of materials with potential for a wide range of commercial applications. In the chemical industry, free-radical polymerization is used to make a large proportion of such copolymers, but the forcing conditions result in a lack of fine control over the architecture of the products. Herein we introduce a synthetic tool, effective under mild experimental conditions, for the precision design of unprecedented ethylene- and polar-monomer-based copolymers. We demonstrate how an organocobalt species can control the growth of the copolymer chains, their composition and the monomer distribution throughout the chain. By fine tuning the ethylene pressure during polymerization and by exploiting a unique reactive mode of the end of the organometallic chain, novel block-like copolymer structures can be prepared. This highly versatile synthetic platform provides access to a diverse range of polymer materials.

The 10/66 Dementia Research Group's fully operationalised DSM-IV dementia computerized diagnostic algorithm, compared with the 10/66 dementia algorithm and a clinician diagnosis: a population validation study

Directory of Open Access Journals (Sweden)

Krishnamoorthy ES

2008-06-01

Full Text Available Abstract Background The criterion for dementia implicit in DSM-IV is widely used in research but not fully operationalised. The 10/66 Dementia Research Group sought to do this using assessments from their one phase dementia diagnostic research interview, and to validate the resulting algorithm in a population-based study in Cuba. Methods The criterion was operationalised as a computerised algorithm, applying clinical principles, based upon the 10/66 cognitive tests, clinical interview and informant reports; the Community Screening Instrument for Dementia, the CERAD 10 word list learning and animal naming tests, the Geriatric Mental State, and the History and Aetiology Schedule – Dementia Diagnosis and Subtype. This was validated in Cuba against a local clinician DSM-IV diagnosis and the 10/66 dementia diagnosis (originally calibrated probabilistically against clinician DSM-IV diagnoses in the 10/66 pilot study. Results The DSM-IV sub-criteria were plausibly distributed among clinically diagnosed dementia cases and controls. The clinician diagnoses agreed better with 10/66 dementia diagnosis than with the more conservative computerized DSM-IV algorithm. The DSM-IV algorithm was particularly likely to miss less severe dementia cases. Those with a 10/66 dementia diagnosis who did not meet the DSM-IV criterion were less cognitively and functionally impaired compared with the DSMIV confirmed cases, but still grossly impaired compared with those free of dementia. Conclusion The DSM-IV criterion, strictly applied, defines a narrow category of unambiguous dementia characterized by marked impairment. It may be specific but incompletely sensitive to clinically relevant cases. The 10/66 dementia diagnosis defines a broader category that may be more sensitive, identifying genuine cases beyond those defined by our DSM-IV algorithm, with relevance to the estimation of the population burden of this disorder.

IVS: Current Status and Future Plans

Science.gov (United States)

Behrend, D.; Nothnagel, A.; Petrachenko, W. T.; Tuccari, G.

2016-12-01

The International VLBI Service for Geodesy and Astrometry (IVS) is a globally operating service that coordinates and performs Very Long Baseline Interferometry (VLBI) activities through its constituent components. The VLBI activities are associated with the creation, provision, dissemination, and archiving of relevant VLBI data and products. The products mostly pertain to the determination of the celestial and terrestrial reference frames, the Earth orientation parameters (EOP), atmospheric parameters as well as other ancillary parameters. The IVS observational network currently consists of about 40 radio telescopes worldwide. Subsets of these telescopes (8-12 stations) participate in 24-hour observing sessions that are run several times per week and in 1-hour intensive sessions for UT1 determination every day. The current VLBI network was developed mainly in the 1970s and 1980s. A number of factors, including aging infrastructure and demanding new scientific requirements, started to challenge its future sustainability and relevance. In response, the IVS and other groups developed and started implementing the next generation VLBI system, called VGOS (VLBI Global Observing System), at existing and new sites. The VGOS network is expected to reach maturity in the early 2020s. We describe the current status, progress, and anticipated prospects of geodetic/astrometric VLBI and the IVS.

Ion beam synthesis and characterization of metastable group-IV alloy semiconductors

Energy Technology Data Exchange (ETDEWEB)

Kobayashi, Naoto; Hasegawa, Masataka; Hayashi, Nobuyuki; Makita, Yunosuke; Shibata, Hajime [Electrotechnical Lab., Tsukuba, Ibaraki (Japan); Katsumata, Hiroshi; Uekusa, Shin-ichiro

1997-03-01

New Group-IV metastable alloy semiconductors and their heterostructures based on combinations of C-Si-Ge-Sn are recently attracting interest because of feasible new electronic and optoelectronic application in Si-technology and here research works on synthesis and characterization of the epitaxial heterostructures of Si-C, Si-Sn on Si fabricated by ion implantation together either with ion-beam-induced epitaxial crystallization (IBIEC) or solid phase epitaxial growth (SPEG) have been investigated. Formations of layers of Si{sub 1-y}C{sub y} (y=0.014 at peak concentration) on Si(100) have been performed by high-dose implantation of 17 keV C ions and successive IBIEC with 400 keV Ar or Ge ion bombardments at 300-400degC or SPEG up to 750degC. Crystalline growth by IBIEC has shown a lower growth rate in Si{sub 1-y}C{sub y}/Si than in intrinsic Si due mainly to the strain existence, which was observed by the X-ray diffraction (XRD) measurements. Photoluminescence(PL) measurements have revealed I{sub 1} or G line emissions that are relevant to small vacancy clusters or C pair formation, respectively. The crystalline growth of Si{sub 1-z}Sn{sub z} layers by 110 keV {sup 120}Sn ion implantation (z=0.029 and z=0.058 at peak concentration) into Si(100) followed either by IBIEC or by SPEG has been also investigated. PL emission from both IBIEC-grown and SPEG-grown samples with the lower Sn concentration has shown similar peaks to those by ion-implanted and annealed Si samples with intense I{sub 1} or I{sub 1}-related (Ar) peaks. Present results suggest that IBIEC has a feature for the non-thermal equilibrium fabrication of Si-C and Si-Sn alloy semiconductors. (J.P.N.)

Soft Magnetic Properties of Nanocrystalline Fe-M-(B and/or O)(M=Group IV A, V A Elements) Alloy Films

OpenAIRE

Hayakawa, Y.; Makino, A.; Inoue, A.; Masumoto, T.

1996-01-01

In Fe-M-(B and/or O)(M=group IV A, V A elements) alloy films, nanocrystalline bcc phase are formed by annealing the amorphous single phase for Fe-M-B films, whereas the bcc nanocrystals are already formed in an as-deposited state for Fe-M-O or Fe-M-B-O) films. Among Fe-M-B films with various M elements, Fe-(Zr, Hf, Nb, Ta)-B alloy films exhibit high saturation magnetization (Is) above 1.4 T and high relative permeability (|μ|) above 1000 at 1MHz. The highest |μ| of 3460 at 1MHz is obtained fo...

Well-Defined Molybdenum Oxo Alkyl Complex Supported on Silica by Surface Organometallic Chemistry: A Highly Active Olefin Metathesis Precatalyst

KAUST Repository

Merle, Nicolas; Le Qué mé ner, Fré dé ric; Bouhoute, Yassine; Szeto, Kai C.; De Mallmann, Aimery; Barman, Samir; Samantaray, Manoja; Delevoye, Laurent; Gauvin, Ré gis M.; Taoufik, Mostafa; Basset, Jean-Marie

2016-01-01

The well-defined silica-supported molybdenum oxo alkyl species (SiO−)MoO(CH Bu) was selectively prepared by grafting of MoO(CH Bu)Cl onto partially dehydroxylated silica (silica) using the surface organometallic chemistry approach. This surface species was fully characterized by elemental analysis and DRIFT, solid-state NMR, and EXAFS spectroscopy. This new material is related to the active species of industrial supported MoO/SiO olefin metathesis catalysts. It displays very high activity in propene self-metathesis at mild (turnover number = 90 000 after 25 h). Remarkably, its catalytic performance outpaces those of the parent imido derivative and its tungsten oxo analogue.

Well-Defined Molybdenum Oxo Alkyl Complex Supported on Silica by Surface Organometallic Chemistry: A Highly Active Olefin Metathesis Precatalyst

KAUST Repository

Merle, Nicolas

2016-12-05

The well-defined silica-supported molybdenum oxo alkyl species (SiO−)MoO(CH Bu) was selectively prepared by grafting of MoO(CH Bu)Cl onto partially dehydroxylated silica (silica) using the surface organometallic chemistry approach. This surface species was fully characterized by elemental analysis and DRIFT, solid-state NMR, and EXAFS spectroscopy. This new material is related to the active species of industrial supported MoO/SiO olefin metathesis catalysts. It displays very high activity in propene self-metathesis at mild (turnover number = 90 000 after 25 h). Remarkably, its catalytic performance outpaces those of the parent imido derivative and its tungsten oxo analogue.

Molecular metal catalysts on supports: organometallic chemistry meets surface science.

Science.gov (United States)

Serna, Pedro; Gates, Bruce C

2014-08-19

Recent advances in the synthesis and characterization of small, essentially molecular metal complexes and metal clusters on support surfaces have brought new insights to catalysis and point the way to systematic catalyst design. We summarize recent work unraveling effects of key design variables of site-isolated catalysts: the metal, metal nuclearity, support, and other ligands on the metals, also considering catalysts with separate, complementary functions on supports. The catalysts were synthesized with the goal of structural simplicity and uniformity to facilitate incisive characterization. Thus, they are essentially molecular species bonded to porous supports chosen for their high degree of uniformity; the supports are crystalline aluminosilicates (zeolites) and MgO. The catalytic species are synthesized in reactions of organometallic precursors with the support surfaces; the precursors include M(L)2(acetylacetonate)1-2, with M = Ru, Rh, Ir, or Au and the ligands L = C2H4, CO, or CH3. Os3(CO)12 and Ir4(CO)12 are used as precursors of supported metal clusters, and some such catalysts are made by ship-in-a-bottle syntheses to trap the clusters in zeolite cages. The simplicity and uniformity of the supported catalysts facilitate precise structure determinations, even in reactive atmospheres and during catalysis. The methods of characterizing catalysts in reactive atmospheres include infrared (IR), extended X-ray absorption fine structure (EXAFS), X-ray absorption near edge structure (XANES), and nuclear magnetic resonance (NMR) spectroscopies, and complementary methods include density functional theory and atomic-resolution aberration-corrected scanning transmission electron microscopy for imaging of individual metal atoms. IR, NMR, XANES, and microscopy data demonstrate the high degrees of uniformity of well-prepared supported species. The characterizations determine the compositions of surface metal complexes and clusters, including the ligands and the metal

Chromocene in porous polystyrene: an example of organometallic chemistry in confined spaces.

Science.gov (United States)

Estephane, Jane; Groppo, Elena; Vitillo, Jenny G; Damin, Alessandro; Lamberti, Carlo; Bordiga, Silvia; Zecchina, Adriano

2009-04-07

In this work, we present an innovative approach to investigate the structure and the reactivity of a molecularly dispersed organometallic compound. The poly(4-ethylstyrene-co-divinylbenzene) microporous system (PS) is used as "solid solvent" able to molecularly disperse CrCp2, allowing: (i) its full characterization by means of spectroscopic techniques; (ii) the pressure and temperature dependent study of its interaction towards simple molecules like CO freely diffusing through the pores; (iii) the accurate determination of the reaction enthalpies by both direct microcalorimetric measurements and by an indirect spectroscopic approach. The experimental results are compared with quantum-mechanical calculations adopting the DFT approximation with two different functionals (namely BP86 and B3-LYP), showing the limitations and the potentialities of DFT methods in predicting the properties of open shell systems. It is concluded that modern DFT methods are able to give a coherent view of the vibrational properties of the CrCp2 molecule (and of the complex formed upon CO adsorption) that well match the experimental results, while the energetic predictions should be taken with care as they are significantly dependent on the functionals used.

Integrated rotating-compensator polarimeter for real-time measurements and analysis of organometallic chemical vapor deposition

Energy Technology Data Exchange (ETDEWEB)

Flock, K.; Kim, S.-J.; Asar, M.; Kim, I.K.; Aspnes, D.E

2004-05-01

We describe a single-beam rotating-compensator rotating-sample spectroscopic polarimeter (RCSSP) integrated with an organometallic chemical vapor deposition (OMCVD) reactor for in-situ diagnostics and control of epitaxial growth, and report representative results. The rotating compensator generates Fourier coefficients that provide information about layer thicknesses and compositions, while sample rotation provides information about optical anisotropy and therefore surface chemistry. We illustrate capabilities with various examples, including the simultaneous determination of <{epsilon}> and {alpha}{sub 10} during exposure of (001)GaAs to TMG, the heteroepitaxial growth of GaP on GaAs, and the growth of (001)GaSb with TMG and TMSb. Using a recently developed approach for quantitatively determining thickness and dielectric function of depositing layers, we find the presence of metallic Ga on TMG-exposed (001)GaAs. The (001)GaSb data show that Sb deposition is self-limiting, in contrast to expectations.

An Integrated Safety Assessment Methodology for Generation IV Nuclear Systems

International Nuclear Information System (INIS)

Leahy, Timothy J.

2010-01-01

The Generation IV International Forum (GIF) Risk and Safety Working Group (RSWG) was created to develop an effective approach for the safety of Generation IV advanced nuclear energy systems. Early work of the RSWG focused on defining a safety philosophy founded on lessons learned from current and prior generations of nuclear technologies, and on identifying technology characteristics that may help achieve Generation IV safety goals. More recent RSWG work has focused on the definition of an integrated safety assessment methodology for evaluating the safety of Generation IV systems. The methodology, tentatively called ISAM, is an integrated 'toolkit' consisting of analytical techniques that are available and matched to appropriate stages of Generation IV system concept development. The integrated methodology is intended to yield safety-related insights that help actively drive the evolving design throughout the technology development cycle, potentially resulting in enhanced safety, reduced costs, and shortened development time.

Generation of ENDF/B-IV based 35 group neutron cross-section library and its application in criticality studies

International Nuclear Information System (INIS)

Garg, S.B.; Sinha, A.

1985-01-01

A 35 group cross-section library with P/sub 3/-anisotropic scattering matrices and resonance self-shielding factors has been generated from the basic ENDF/B-IV cross-section files for 57 elements. This library covers the neutron energy range from 0.005 ev to 15 MeV and is well suited for the neutronics and safety analysis of fission, fusion and hybrid systems. The library is contained in two well known files, namely, ISOTXS and BRKOXS. In order to test the efficacy of this library and to bring out the importance of resonance self-shielding, a few selected fast critical assemblies representing large dilute oxide and carbide fueled uranium and plutonium based systems have been analysed. These assemblies include ZPPR/sub 2/, ZPR-3-48, ZPR-3-53, ZPR-6-6A, ZPR-6-7, ZPR-9-31 and ZEBRA-2 and are amongst those recommended by the US Nuclear Data Evaluation Working Group for testing the accuracy of cross-sections. The evaluated multiplication constants of these assemblies compare favourably with those calculated by others

The use of a well-defined surface organometallic complex as a probe molecule: [(≡SiO)TaVCl2Me2] shows different isolated silanol sites on the silica surface

KAUST Repository

Chen, Yin

2014-01-01

TaVCl2Me3 reacts with silica(700) and produces two different [(≡SiO)TaVCl2Me2] surface organometallic species, suggesting a heterogeneity of the highly dehydroxylated silica surface, which was studied with a combined experimental and theoretical approach. This journal is © the Partner Organisations 2014.

Controlling applied to information processing: quality management applied to IP projects and IP services; Informationsverarbeitungs-Controlling: Qualitaetsmanagement fuer IV-Projekte und fuer IV-Service

Energy Technology Data Exchange (ETDEWEB)

Becker, B. [Vereinigung Deutscher Elektrizitaetswerke e.V. (VDEW), Frankfurt am Main (Germany); Beckers, F. [Isar-Amperwerke AG, Muenchen (Germany); Dewald, N. [Bayernwerk AG, Muenchen (Germany); Hauffe, P. [Pfalzwerke AG, Ludwigshafen am Rhein (Germany); Hein, F. [EVS AG Stuttgart (Germany); Hoederath, M. [Vereinigte Elektrizitaetswerke Westfalen AG (VEW), Dortmund (Germany); Seyen, R. [Staedtische Werke Nuernberg GmbH (Germany)

1998-01-12

The working group on information processing (IP) basics (in German: `IV-Grundlagen`) has prepared this contribution dealing with controlling applied to information processing. This new report, on the one hand, takes into consideration the role of the organizational IP unit as one offering its services to all sections of a company. On the other hand, information processing as an operational infrastructure influencing all business processes becomes increasingly important with respect to the competitiveness of the EVU. Therefore, quality management applied to IP projects and IP services must support this development. (orig./RHM) [Deutsch] Der VDEW Arbeitskreis `IV-Grundlagen` hat einen Beitrag zum Controlling fuer die Informationsverarbeitung erstellt. Hier geht zum einen die Rolle der Organisationseinheit IV als Dienstleister fuer alle Unternehmensbereiche ein. Zum anderen gewinnt die Informationsverarbeitung als betriebliche Infrastruktur fuer alle Geschaeftsprozesse zunehmende Bedeutung fuer die Wettbewerbsfaehigkeit der EVU. Das Qualitaetsmanagement fuer IV-Projekte und fuer IV-Service muss dies unterstuetzen. (orig./RHM)

Cost analysis of surgically treated pressure sores stage III and IV.

Science.gov (United States)

Filius, A; Damen, T H C; Schuijer-Maaskant, K P; Polinder, S; Hovius, S E R; Walbeehm, E T

2013-11-01

Health-care costs associated with pressure sores are significant and their financial burden is likely to increase even further. The aim of this study was to analyse the direct medical costs of hospital care for surgical treatment of pressure sores stage III and IV. We performed a retrospective chart study of patients who were surgically treated for stage III and IV pressure sores between 2007 and 2010. Volumes of health-care use were obtained for all patients and direct medical costs were subsequently calculated. In addition, we evaluated the effect of location and number of pressure sores on total costs. A total of 52 cases were identified. Average direct medical costs in hospital were €20,957 for the surgical treatment of pressure sores stage III or IV; average direct medical costs for patients with one pressure sore on an extremity (group 1, n = 5) were €30,286, €10,113 for patients with one pressure sore on the trunk (group 2, n = 32) and €40,882 for patients with multiple pressure sores (group 3, n = 15). The additional costs for patients in group 1 and group 3 compared to group 2 were primarily due to longer hospitalisation. The average direct medical costs for surgical treatment of pressure sores stage III and IV were high. Large differences in costs were related to the location and number of pressure sores. Insight into the distribution of these costs allows identification of high-risk patients and enables the development of specific cost-reducing measures. Copyright © 2013 British Association of Plastic, Reconstructive and Aesthetic Surgeons. Published by Elsevier Ltd. All rights reserved.

DSM-IV: a nosology sold before its time?

Science.gov (United States)

Zimmerman, M; Jampala, V C; Sierles, F S; Taylor, M A

1991-04-01

The purpose of this study was to determine whether American psychiatrists believe that DSM-IV is being published too soon after DSM-III-R. The authors conducted a mail survey of the attitudes of practicing psychiatrists (N = 454), residency program directors (N = 128), residents (N = 1,331), and researchers (N = 196) toward the scheduled publication of DSM-IV in the early 1990s. They found that the majority of all four groups believed that DSM-IV is being published prematurely. In contrast to respondents who believed that the timing of DSM-IV is appropriate, those who indicated that it is being published too soon had more recently completed their residency training and also believed that DSM-III-R was published prematurely. There was no association between the psychiatrists' responses and their theoretical orientation, Board certification status, ownership of the DSM manuals, the length of time they had used DSM-III, and the diagnostic manual (DSM-III or DSM-III-R) they were currently using. The belief that DSM-IV is being published too soon could contribute to underuse of DSM-IV by substantial numbers of psychiatrists. Thus, to foster compliance with it, APA must preserve in its efforts to demonstrate that the advantages of publishing it in 1993 outweigh the disadvantages of adopting yet another manual.

Uranium metalla-allenes with carbene imido R{sub 2}C=U{sup IV}=NR' units (R=Ph{sub 2}PNSiMe{sub 3}; R'=CPh{sub 3}): alkali-metal-mediated push-pull effects with an amido auxiliary

Energy Technology Data Exchange (ETDEWEB)

Lu, Erli; Tuna, Floriana; Kaltsoyannis, Nikolas; Liddle, Stephen T. [School of Chemistry, The University of Manchester (United Kingdom); Lewis, William [School of Chemistry, The University of Nottingham (United Kingdom)

2016-08-08

We report uranium(IV)-carbene-imido-amide metalla-allene complexes [U(BIPM{sup TMS})(NCPh{sub 3})(NHCPh{sub 3})(M)] (BIPM{sup TMS}=C(PPh{sub 2}NSiMe{sub 3}){sub 2}; M=Li or K) that can be described as R{sub 2}C=U=NR' push-pull metalla-allene units, as organometallic counterparts of the well-known push-pull organic allenes. The solid-state structures reveal that the R{sub 2}C=U=NR' units adopt highly unusual cis-arrangements, which are also reproduced by gas-phase theoretical studies conducted without the alkali metals to remove their potential structure-directing roles. Computational studies confirm the double-bond nature of the U=NR' and U=CR{sub 2} interactions, the latter increasingly attenuated by potassium then lithium when compared to the hypothetical alkali-metal-free anion. Combined experimental and theoretical data show that the push-pull effect induced by the alkali metal cations and amide auxiliary gives a fundamental and tunable structural influence over the C=U{sup IV}=N units. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Oxochloroalkoxide of the Cerium (IV and Titanium (IV as oxides precursor

Directory of Open Access Journals (Sweden)

Machado Luiz Carlos

2002-01-01

Full Text Available The Cerium (IV and Titanium (IV oxides mixture (CeO2-3TiO2 was prepared by thermal treatment of the oxochloroisopropoxide of Cerium (IV and Titanium (IV. The chemical route utilizing the Cerium (III chloride alcoholic complex and Titanium (IV isopropoxide is presented. The compound Ce5Ti15Cl16O30 (iOPr4(OH-Et15 was characterized by elemental analysis, FTIR and TG/DTG. The X-ray diffraction patterns of the oxides resulting from the thermal decomposition of the precursor at 1000 degreesC for 36 h indicated the formation of cubic cerianite (a = 5.417Å and tetragonal rutile (a = 4.592Å and (c = 2.962 Å, with apparent crystallite sizes around 38 and 55nm, respectively.

PUFF-IV, Code System to Generate Multigroup Covariance Matrices from ENDF/B-VI Uncertainty Files

International Nuclear Information System (INIS)

2007-01-01

1 - Description of program or function: The PUFF-IV code system processes ENDF/B-VI formatted nuclear cross section covariance data into multigroup covariance matrices. PUFF-IV is the newest release in this series of codes used to process ENDF uncertainty information and to generate the desired multi-group correlation matrix for the evaluation of interest. This version includes corrections and enhancements over previous versions. It is written in Fortran 90 and allows for a more modular design, thus facilitating future upgrades. PUFF-IV enhances support for resonance parameter covariance formats described in the ENDF standard and now handles almost all resonance parameter covariance information in the resolved region, with the exception of the long range covariance sub-subsections. PUFF-IV is normally used in conjunction with an AMPX master library containing group averaged cross section data. Two utility modules are included in this package to facilitate the data interface. The module SMILER allows one to use NJOY generated GENDF files containing group averaged cross section data in conjunction with PUFF-IV. The module COVCOMP allows one to compare two files written in COVERX format. 2 - Methods: Cross section and flux values on a 'super energy grid,' consisting of the union of the required energy group structure and the energy data points in the ENDF/B-V file, are interpolated from the input cross sections and fluxes. Covariance matrices are calculated for this grid and then collapsed to the required group structure. 3 - Restrictions on the complexity of the problem: PUFF-IV cannot process covariance information for energy and angular distributions of secondary particles. PUFF-IV does not process covariance information in Files 34 and 35; nor does it process covariance information in File 40. These new formats will be addressed in a future version of PUFF

Synthesis of a sugar-organometallic compound 1,1′-difurfurylferrocene and its microwave preparation of carbon/iron oxide nanocomposite

International Nuclear Information System (INIS)

Zhao Shanyu; Cooper, Daniel C.; Xu, Haixun; Zhu Pinghua; Suggs, J. William

2013-01-01

Graphical abstract: In order to synthesize a carbon–metal or metal oxide combination sphere, carbonaceous resource furfural was introduced, which was nucleophilic treated with 1,1′-dilithioferrocene to form a sugar-organometallic compound: ferrocenyl monosaccharide derivative 1,1′-difurfurylferrocene, which can be hydrothermally treated in a microwave reactor to give 300–500 nm microspheres with the α-Fe 2 O 3 or Fe 3 O 4 formed on the surface, which may be favorable for new magnetic materials preparation or instead of iron with other metal ions, versatile carbon/metal composites will be possibly synthesized for catalysis, drug delivery and magnetic uses. Highlights: ► We synthesized 1,1′-difurfurylferrocene by nucleophilic treating furfural with 1,1′-dilithioferrocene. ► 1,1′-Difurfurylferrocene can be hydrothermally treated by microwave to give microspheres with iron oxides on the surface. ► 1,1′-Difurfurylferrocene has 2 reactive furanose units, which form carbonspheres and ferrocenyl can give iron oxides. ► REDOX atmosphere influences the coating structures. - Abstract: In order to synthesize a carbon–metal or metal oxide combination sphere, carbonaceous resource furfural 1 was introduced, which was nucleophilic treated with 1,1′-dilithioferrocene 2 to form a sugar-organometallic compound: ferrocenyl monosaccharide derivative 1,1′-difurfurylferrocene 3. 1,1′-Difurfurylferrocene 3 can be hydrothermally treated in a microwave reactor to give 300–500 nm microspheres with the α-Fe 2 O 3 or Fe 3 O 4 nanocrystals formed on the surface, which may be favorable for new magnetic materials preparation or instead of iron with other metal ions, versatile carbon/metal composites will be possibly synthesized for catalysis, drug delivery and magnetic uses.

Synthesis of a sugar-organometallic compound 1,1 Prime -difurfurylferrocene and its microwave preparation of carbon/iron oxide nanocomposite

Energy Technology Data Exchange (ETDEWEB)

Zhao Shanyu, E-mail: syzhao65@gmail.com [School of Environmental and Safty Engineering, Changzhou University, Changzhou, Jiangsu 213164 (China); Department of Chemistry, Brown University, Providence, RI 02912-9108 (United States); Cooper, Daniel C. [Department of Chemistry, Brown University, Providence, RI 02912-9108 (United States); Xu, Haixun [Institute of Building Materials, Dalian University of Technology, Dalian, Liaoning 116024 (China); Zhu Pinghua [School of Environmental and Safty Engineering, Changzhou University, Changzhou, Jiangsu 213164 (China); Suggs, J. William, E-mail: j_suggs@brown.edu [Department of Chemistry, Brown University, Providence, RI 02912-9108 (United States)

2013-01-01

Graphical abstract: In order to synthesize a carbon-metal or metal oxide combination sphere, carbonaceous resource furfural was introduced, which was nucleophilic treated with 1,1 Prime -dilithioferrocene to form a sugar-organometallic compound: ferrocenyl monosaccharide derivative 1,1 Prime -difurfurylferrocene, which can be hydrothermally treated in a microwave reactor to give 300-500 nm microspheres with the {alpha}-Fe{sub 2}O{sub 3} or Fe{sub 3}O{sub 4} formed on the surface, which may be favorable for new magnetic materials preparation or instead of iron with other metal ions, versatile carbon/metal composites will be possibly synthesized for catalysis, drug delivery and magnetic uses. Highlights: Black-Right-Pointing-Pointer We synthesized 1,1 Prime -difurfurylferrocene by nucleophilic treating furfural with 1,1 Prime -dilithioferrocene. Black-Right-Pointing-Pointer 1,1 Prime -Difurfurylferrocene can be hydrothermally treated by microwave to give microspheres with iron oxides on the surface. Black-Right-Pointing-Pointer 1,1 Prime -Difurfurylferrocene has 2 reactive furanose units, which form carbonspheres and ferrocenyl can give iron oxides. Black-Right-Pointing-Pointer REDOX atmosphere influences the coating structures. - Abstract: In order to synthesize a carbon-metal or metal oxide combination sphere, carbonaceous resource furfural 1 was introduced, which was nucleophilic treated with 1,1 Prime -dilithioferrocene 2 to form a sugar-organometallic compound: ferrocenyl monosaccharide derivative 1,1 Prime -difurfurylferrocene 3. 1,1 Prime -Difurfurylferrocene 3 can be hydrothermally treated in a microwave reactor to give 300-500 nm microspheres with the {alpha}-Fe{sub 2}O{sub 3} or Fe{sub 3}O{sub 4} nanocrystals formed on the surface, which may be favorable for new magnetic materials preparation or instead of iron with other metal ions, versatile carbon/metal composites will be possibly synthesized for catalysis, drug delivery and magnetic uses.

Investigation of Spectral Characteristics of Pulsed Xenon Lamps for Combined Photochemical Degradation of Organometallic Compounds in Liquid Radioactive Waste

Directory of Open Access Journals (Sweden)

M. A. Mishakov

2017-01-01

Full Text Available The paper considers the composition of liquid radioactive wastes from the nuclear plants. Using traditional ways to extract organometallic compounds formed, when using the deactivation solutions to clean the surfaces of nuclear plant rooms, are complicated. The paper studies the edge-cutting methods of solving this problem. Its proposal is to use a combined ultraviolet treatment for organometallic compounds degradation based on ethylenediaminetetraacetic acid (EDTA via pulsed xenon lamps. A potential use of the tubular and spherical geometry lamps is examined and advantages, disadvantages and features of these lamps are described. Instead of the pure EDTA the experiments used its disodium salt (Na2-EDTA. The hydrogen peroxide was used as an extra oxidizer. Absorption spectrums of solutions with various Na2-EDTA - hydrogen peroxide ratio were measured. It is found that the absorbance curve maximum is in the shortwave spectrum region (λ < 210 nm. The use of amalgam lamps of monochromatic radiation at wavelength λ = 254 nm will result only in formation of hydroxyl radicals but direct destruction processes of EDTA molecules due to radiation will be rare, and this decreases efficiency of their use.The spectral radiation characteristics of various continuum spectrum pulsed xenon lamps was measured. The experimental data expressed in relative units were compared with the emission spectrum of an absolutely black body. The paper shows that in spherical lamps high brightness temperature can be reached. Thus, in spherical lamps it is possible to obtain a spectrum, which is in maximum correlation with the absorption spectrum of the solutions under study, thereby making them a prospective radiation source for photo-degradation of EDTA compounds. For drawing a final conclusion it is necessary to conduct researches in order to compare Na2-EDTA degradation via tubular and spherical xenon lamps.

Effect of HCl Concentration on the Oxidation of LIX 63 and the Subsequent Separation of Pd(II), Pt(IV), Ir(IV) and Rh(III) by Solvent Extraction

Energy Technology Data Exchange (ETDEWEB)

Nguyen, Thi Hong; Lee, Man Seung [Mokpo National University, Jeollanamdo (Korea, Republic of)

2016-10-15

During the selective extraction of Pd(II) by LIX 63 from 6 M HCl solutions containing platinum group metals, an oxidation-reduction reaction occurs between the LIX 63 and Ir(IV). Since the reduced Ir(III) cannot be extracted by solvating and amine extractants, the oxidation-reduction reaction has a significant effect on the separation of Pt(IV), Ir(IV) and Rh(III). Therefore, the effect of HCl concentration on the reduction of Ir(IV) during the extraction with LIX 63 was investigated at 3 and 6 M HCl solutions. The extraction behavior of Iridium by Aliquat 336 from the Pd(II) free raffinate showed that the percentage of iridium extraction rapidly decreased when HCl concentration was increased from 3 to 6 M, indicating that more Ir(IV) was reduced to Ir(III). Extraction schemes for the separation of Pt(IV), iridium and Rh(III) by Aliquat 336 from 3 and 6 M HCl solutions were investigated.

Dibutylammonium bis(hydrogen methylphosphonato-κOtriphenylstannate(IV

Directory of Open Access Journals (Sweden)

Tidiane Diop

2012-10-01

Full Text Available The asymmetric unit of the title organotin salt, (C8H20N[Sn(C6H53(CH4O3P2], contains two dibutylammonium cations and two stannate(IV anions consisting each of two monodentately bonding methyl hydrogenphosphate groups attached to an Sn(C6H5 unit. The overall coordination environment of the two SnIV atoms is trigonal–bipyramidal defined by three phenyl C atoms in equatorial positions and two methyl hydrogenphosphate O atoms at the apical sites. In the crystal, the stannate(IV anions are linked to each other via pairs of short O—H...O hydrogen bonds, leading to an infinite chain extending parallel to the b-axis direction. Neighbouring chains are linked by N—H...O hydrogen bonds involving the butylammonium cations, giving a two-dimensional structure parallel to the ab plane. The crystal under investigation was found to be twinned by reticular merohedry with twin fractions of 0.5342 (7:0.4658 (7.

Lattice site location of optical centers in GaN:Eu light emitting diode material grown by organometallic vapor phase epitaxy

KAUST Repository

Lorenz, K.; Alves, E.; Roqan, Iman S.; O’ Donnell, K. P.; Nishikawa, A.; Fujiwara, Y.; Boćkowski, M.

2010-01-01

Eu-doped GaN was grown by organometallic vapor phase epitaxy at temperatures from 900 to 1100 °C. Eu incorporation is influenced by temperature with the highest concentration found for growth at 1000 °C. In all samples, Eu is incorporated entirely on substitutional Ga sites with a slight displacement which is highest (∼0.2 Å) in the sample grown at 900 °C and mainly directed along the c-axis. The major optical Eu3+ centers are identical for in situdoped and ion-implanted samples after high temperature and pressure annealing. The dominant Eu3+luminescence lines are attributed to isolated, substitutional Eu.

Lattice site location of optical centers in GaN:Eu light emitting diode material grown by organometallic vapor phase epitaxy

KAUST Repository

Lorenz, K.

2010-09-16

Eu-doped GaN was grown by organometallic vapor phase epitaxy at temperatures from 900 to 1100 °C. Eu incorporation is influenced by temperature with the highest concentration found for growth at 1000 °C. In all samples, Eu is incorporated entirely on substitutional Ga sites with a slight displacement which is highest (∼0.2 Å) in the sample grown at 900 °C and mainly directed along the c-axis. The major optical Eu3+ centers are identical for in situdoped and ion-implanted samples after high temperature and pressure annealing. The dominant Eu3+luminescence lines are attributed to isolated, substitutional Eu.

IV paracetamol effect on propofol-ketamine consumption in paediatric patients undergoing ESWL.

Science.gov (United States)

Eker, H Evren; Cok, Oya Yalçin; Ergenoğlu, Pınar; Ariboğan, Anış; Arslan, Gülnaz

2012-06-01

Electroshock wave lithotripsy (ESWL) is a painful procedure performed with sedoanalgesia in paediatric patients. The propofol-ketamine combination may be the preferable anaesthesia for this procedure, and propofol-ketamine consumption may be decreased with the administration of intravenous (IV) paracetamol. In this study we investigated the effect of IV paracetamol administration on propofol-ketamine consumption, recovery time and frequency of adverse events in paediatric patients undergoing ESWL. Sixty children, ranging in age from 1 to 10 years and with American Society of Anesthesiologists Physical Status 1-2, were included in this prospective, randomized, double-blinded study. Thirty minutes prior to the procedure children randomly assigned to Group I received IV 15 mg/kg paracetamol, and those randomly assigned to Group II received 1.5 mL/kg IV saline infusion 30 min. The propofol-ketamine combination was prepared by mixing 25 mg propofol and 25 mg ketamine in a total 10 mL solution in the same syringe. After the administration of 0.1 mg/kg midazolam and 10 μg/kg atropine to both groups and during the procedure, the propofol-ketamine combination was administered at 0.5 mg/kg doses to achieve a Wisconsin sedation score of 1 or 2. Oxygen saturation and heart rate were recorded at 5-min intervals. Propofol-ketamine consumption, recovery times and adverse events were also recorded. Demographic data were similar between groups. Propofol-ketamine consumption (Group I, 25.2 ± 17.7 mg; Group II, 35.4 ± 20.1 mg; p = 0.04) and recovery times (Group I, 19.4 ± 7.9 min; Group II, 29.6 ± 11.4 min; p ESWL procedures in paediatric patients and shortens recovery time.

Acyl and silyl group effects in reactivity-based one-pot glycosylation: synthesis of embryonic stem cell surface carbohydrates Lc4 and IV(2)Fuc-Lc4.

Science.gov (United States)

Hsu, Yun; Lu, Xin-An; Zulueta, Medel Manuel L; Tsai, Chih-Ming; Lin, Kuo-I; Hung, Shang-Cheng; Wong, Chi-Huey

2012-03-14

Relative reactivity evaluations showed the graded arming of toluenyl thioglucosides by variously positioned silyl groups but not by their acyl counterparts. These findings were applied in reactivity-based one-pot assembly of linker-attached Lc(4) and IV(2)Fuc-Lc(4), which are components of human embryonic stem cell surface. The sugar-galectin-1 binding was also examined.

Wyoming's Early Settlement and Ethnic Groups, Unit IV.

Science.gov (United States)

Robinson, Terry

This unit on Wyoming's early settlement and ethnic groups provides concepts, activities, stories, charts, and graphs for elementary school students. Concepts include the attraction Wyoming held for trappers; the major social, economic, and religious event called "The Rendezvous"; the different ethnic and religious groups that presently…

Variability in Wechsler Adult Intelligence Scale-IV subtest performance across age.

Science.gov (United States)

Wisdom, Nick M; Mignogna, Joseph; Collins, Robert L

2012-06-01

Normal Wechsler Adult Intelligence Scale (WAIS)-IV performance relative to average normative scores alone can be an oversimplification as this fails to recognize disparate subtest heterogeneity that occurs with increasing age. The purpose of the present study is to characterize the patterns of raw score change and associated variability on WAIS-IV subtests across age groupings. Raw WAIS-IV subtest means and standard deviations for each age group were tabulated from the WAIS-IV normative manual along with the coefficient of variation (CV), a measure of score dispersion calculated by dividing the standard deviation by the mean and multiplying by 100. The CV further informs the magnitude of variability represented by each standard deviation. Raw mean scores predictably decreased across age groups. Increased variability was noted in Perceptual Reasoning and Processing Speed Index subtests, as Block Design, Matrix Reasoning, Picture Completion, Symbol Search, and Coding had CV percentage increases ranging from 56% to 98%. In contrast, Working Memory and Verbal Comprehension subtests were more homogeneous with Digit Span, Comprehension, Information, and Similarities percentage of the mean increases ranging from 32% to 43%. Little change in the CV was noted on Cancellation, Arithmetic, Letter/Number Sequencing, Figure Weights, Visual Puzzles, and Vocabulary subtests (test limitations as well as further our understanding of cognitive domains which remain relatively steady versus those which steadily decline.

Supporting Technology for Enhanced Oil Recovery-EOR Thermal Processes Report IV-12

Energy Technology Data Exchange (ETDEWEB)

Izequeido, Alexandor

2001-04-01

This report contains the results of efforts under the six tasks of the Ninth Amendment and Extension of Annex IV, Enhanced Oil Recovery Thermal Processes of the Venezuela/USA Agreement. The report is presented in sections (for each of the 6 tasks) and each section contains one or more reports prepared by various individuals or groups describing the results of efforts under each of the tasks. A statement of each task, taken from the agreement, is presented on the first page of each section. The tasks are numbered 62 through 67. The first, second, third, fourth, fifth, sixth, seventh, eight, and ninth reports on Annex IV, [Venezuela MEM/USA-DOE Fossil Energy Report IV-1, IV-2, IV-3, IV-4, IV-5, IV-6, IV-7, and IV-8 (DOE/BETC/SP-83/15, DOE/BC-84/6/SP, DOE/BC-86/2/SP, DOE/BC-87/2/SP, DOE/BC-89/1/SP, DOE/BC-90/1/SP) DOE/BC-92/1/SP, DOE/BC-93/3/SP, and DOE/BC-95/3/SP] contain the results from the first 61 tasks. Those reports are dated April 1983, August 1984, March 1986, July 1! 987, November 1988, December 1989, October 1991, February 1993, and March 1995 respectively.

First principles study of electronic and structural properties of single walled zigzag boron nitride nanotubes doped with the elements of group IV

Science.gov (United States)

Bahari, Ali; jalalinejad, Amir; Bagheri, Mosahhar; Amiri, Masoud

2017-11-01

In this paper, structural and electronic properties and stability of (10, 0) born nitride nanotube (BNNT) are considered within density functional theory by doping group IV elements of the periodic table. The HOMO-LUMO gap has been strongly modified and treated a dual manner by choosing B or N sites for dopant atoms. Formation energy calculation shows that B site doping is more stable than N site doping. Results also show that all dopants turn the pristine BNNT into a p-type semiconductor except for carbon-doped BNNT at B site.

Transuranium perrhenates: Np(IV), Pu(IV) and (III), Am (III)

International Nuclear Information System (INIS)

Silvestre, Jean-Paul; Freundlich, William; Pages, Monique

1977-01-01

Synthesis in aqueous solution and by solid state reactions, crystallographical characterization and study of the stability of some transuranium perrhenates: Asup(n+)(ReO 4 - )sub(n) (A=Np(IV), Pu(IV), Pu(III), Am(III) [fr

High quality long-wavelength lasers grown by atmospheric organometallic vapor phase epitaxy using tertiarybutylarsine

International Nuclear Information System (INIS)

Miller, B.I.; Young, M.G.; Oron, M.; Koren, U.; Kisker, D.

1990-01-01

High quality long-wavelength InGaAsP/InP lasers were grown by atmospheric organometallic vapor phase epitaxy using tertiarybutylarsine (TBA) as a substitute for AsH 3 . Electrical and photoluminescence measurements on InGaAs and InGaAsP showed that TBA-grown material was at least as good as AsH 3 material in terms of suitability for lasers. From two wafers grown by TBA, current thresholds I th as low as 11 mA were obtained for a 2-μm-wide semi-insulating blocking planar buried heterostructure laser lasing near 1.3 μm wavelength. The differential quantum efficiencies η D were as high as 21%/facet with a low internal loss α=21 cm -1 . In addition I th as low as 18 mA and η D as high as 18% have been obtained for multiplequantum well lasers at 1.54 μm wavelength. These results show that TBA might be used to replace AsH 3 without compromising on laser performance

New organometallic salts as precursors for the functionalization of carbon nanotubes with metallic nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Alonso-Nunez, G., E-mail: galonso@cnyn.unam.mx; Garza, L. Morales de la; Rogel-Hernandez, E.; Reynoso, E. [Universidad Nacional Autonoma de Mexico, Centro de Nanociencias y Nanotecnologia (Mexico); Licea-Claverie, A.; Felix-Navarro, R. M. [Instituto Tecnologico de Tijuana, Centro de Graduados e Investigacion (Mexico); Berhault, G. [UMR 5256 CNRS-Universite de Lyon, Institut de Recherches sur la Catalyse et l' Environnement de Lyon (France); Paraguay-Delgado, F. [Centro de Investigacion en Materiales Avanzados S. C. (Mexico)

2011-09-15

New organometallic salts were synthesized in aqueous solution and were used as precursors for the functionalization of carbon nanotubes (CNT) by metallic nanoparticles. The precursors were obtained by reaction between HAuCl{sub 4}, (NH{sub 4}){sub 2}PtCl{sub 6}, (NH{sub 4}){sub 2}PdCl{sub 6}, or (NH{sub 4}){sub 3}RhCl{sub 6} with cetyltrimethylammonium bromide (CTAB). The as-obtained (CTA){sub n}Me{sub x}Cl{sub y} salts (with Me = Au, Pt, Pd, Rh) were characterized by Fourier-transform infra-red (FTIR) spectroscopy, {sup 1}H nuclear magnetic resonance (NMR) spectroscopy, and thermogravimetric analysis. These precursors were then used to synthesize metallic nanoparticles of Au, Pt, Pd, and Rh over multiwalled carbon nanotubes (MWCNT). Characterization by scanning transmission electron microscopy (STEM) and thermogravimetric analysis under air reveals that the CNT-supported catalysts exhibit high loading and good dispersion of the metallic nanoparticles with small average particle sizes. The present preparation procedure therefore allows obtaining high densities of small metallic nanoparticles at the surface of MWCNT.

Significance of combinative determination of urinary type IV collagen and trace albumin in type 2 diabetics

International Nuclear Information System (INIS)

Yang Libin

2004-01-01

In order to evaluate the diagnostic value of combinative determination of urinary trace albumin(Alb) and urinary type IV collagen (C-IV) for early damage of renal function in type 2 diabetics, 24-hr urine was collected each from 30 normal subjects and 165 type 2 diabetics, and RIA was carried out to determine simultaneously Alb and C-IV (concentration method). The results showed: (1) the content of Alb in 24-hr urine of normal subjects was 6.45±2.04 mg/24 hrs, and that of C-IV was 86.68 ± 11.98 μg/L; (2) The type 2 diabetics were divided into A and B groups according to their Alb content in 24-hr urine. In group A(n=130) the Alb content was ≥30 mg/24 hrs and their C-IV was 120.03 ± 34.02 μg/L, whereas in group B(n=35) the corresponding values were < 30 mg/24 hrs and 97.14 ± 24.93 μg/L, respectively. Conclusion: When the Alb content of type 2 diabetics is still within the normal upper limit, the level of C-IV has already been elevated in part of them, indicating C-IV level can be more able to reflect early damage of renal function in type 2 diabetics than Alb content does. (authors)

Coordination and solvent extraction behaviour of oxozirconium(IV), thorium(IV) and dioxouranium(VI)

International Nuclear Information System (INIS)

Dash, K.C.

1989-01-01

The systematic liquid-liquid extraction behaviour of oxozirconium (IV), thorium(IV) and dioxouranium(VI) have been investigated using a number of synthesised and commercial chelating extractants. The synergism or antagonism for these processes in presence of neutral donor ligands have also been identified and the conditions for separation and isolation of pure individual metal ions have been established. The coordination behaviour of oxozirconium(IV), thorium(IV) and dioxouranium(VI) with a large number of mono- and polydentate ligands have been studied. With oxozirconium(IV), invariably always a cyclic, tetranuclear species is obtained, derived from the tetrameric structure of the parent ZrOCl 2 .8H 2 O which is actually (Zr 4 (OH) 8 (H 2 O) 16 )Cl 8 .12H 2 O. No simple, monomeric oxozirconium(IV) complex was obtained. Uranium(VI) and thorium(IV) form a wide variety of complexes of higher coordination numbers and several bi- and trinuclear complexes were also characterised where the two adjacent metal centres are joined to each other by a double hydroxo-bridge. (author). 69 refs., 3 figs., 4 tabs

Tunable magnetic states on the zigzag edges of hydrogenated and halogenated group-IV nanoribbons

Science.gov (United States)

Chuang, Feng-Chuan; Wang, Tzu-Cheng; Hsu, Chia-Hsiu; Huang, Zhi-Quan; Su, Wan-Sheng; Guo, Guang-Yu

The magnetic and electronic properties of hydrogenated and halogenated group-IV zigzag nanoribbons (ZNRs) are investigated by first-principles density functional calculations. Fascinatingly, we find that all the ZNRs have magnetic edges with a rich variety of electronic and magnetic properties tunable by selecting the parent and passivating elements as well as controlling the magnetization direction and external strain. In particular, the electric property of the edge band structure can be tuned from the conducting to insulating with a band gap up to 0.7 eV, depending on the parent and passivating elements as well as the applied strain, magnetic configuration and magnetization orientation. The last controllability would allow us to develop magnetic on-off nano-switches. Furthermore, ZNRs such as SiI, Ge, GeI and SnH, have fully spin-polarized metallic edge states and thus are promising materials for spintronics. The calculated magnetocrystalline anisotropy energy can be as large as 9 meV/edge-site, being 2000 time greater than that of bulk Ni and Fe ( 5 μeV/atom), and thus has great potential for high density magneto-electric data-storage devices. Finally, the calculated exchange coupling strength and thus magnetic transition temperature increases as the applied strain goes from -5 % to 5 %. Our findings thus show that these ZNRs would have exciting applications in next-generation electronic and spintronic nano-devices.

Immobilization of Mo(IV) complex in hybrid matrix obtained via sol-gel technique

Energy Technology Data Exchange (ETDEWEB)

Marques, C.; Sousa, A.M.; Freire, C.; Neves, I.C.; Fonseca, A.M.; Silva, C.J.R

2003-10-06

A molybdenum(IV) complex, trans-bis-[1,2-bis(diphenylphosphino)ethane]-fluoro-(diazopropano) -molybdenum tetraphenylborate, [MoF(DIAZO)(dppe){sub 2}][BPh{sub 4}], was prepared and immobilized in a hybrid matrix synthesized by the sol-gel process. The host matrix, designated as U(500), is an organic-inorganic network material, classed as ureasil, that combines a reticulated siliceous backbone linked by short polyether-based segments. Urea bridges make the link between these two components, and the polymerization of silicate substituted terminal groups generates the inorganic network. The free Mo(IV) complex and all new materials were characterized by spectroscopic techniques (FT-IR and UV-Vis) and thermal analysis (DSC). The ionic conductivity of the resulting material was also studied. The results indicate that immobilized Mo(IV) complex has kept its solid-state structure, although there is evidence of inter-molecular interactions between the Mo(IV) complex and some groups/atoms of the hybrid host matrix.

Mutual passivation of group IV donors and isovalent nitrogen in diluted GaN{sub x}As{sub 1-x} alloys

Energy Technology Data Exchange (ETDEWEB)

Yu, K.M.; Wu, J.; Walukiewicz, W.; Shan, W.; Beeman, J.; Mars, D.E.; Chamberlin, D.R.; Scarpulla, M.A.; Dubon, O.D.; Ridgway, M.C.; Geisz, J.F.

2003-07-23

We demonstrate the mutual passivation of electrically active group IV donors and isovalent N atoms in the GaN{sub x}As{sub 1-x} alloy system. This phenomenon occurs through the formation of a donor-nitrogen bond in the nearest neighbor IV{sub Ga}-N{sub As} pairs. In Si doped GaInN{sub 0.017}As{sub 0.983} the electron concentration starts to decrease rapidly at an annealing temperature of 700 C from {approx} 3 x 10{sup 19}cm{sup -3} in the as-grown state to less than 10{sup 16}cm{sup -3} after an annealing at 900 C for 10 s. At the same time annealing of this sample at 950 C increases the gap by about 35 meV, corresponding to a reduction of the concentration of the active N atoms by an amount very close to the total Si concentration. We also show that the formation of Si{sub Ga}-N{sub As} pairs is controlled by the diffusion of Si via Ga vacancies to the nearest N{sub As} site. The general nature of this mutual passivation effect is confirmed by our study of Ge doped GaN{sub x}As{sub 1-x} layers formed by N and Ge co-implantation in GaAs followed by pulsed laser melting.

Safety Design Criteria (SDC) for Gen-IV Sodium-cooled Fast Reactor

International Nuclear Information System (INIS)

Nakai, Ryodai

2013-01-01

SDC Development Background & Objectives: • Safety Design Criteria (SDC) Development for Gen-IV SFR: – Proposed at the GIF Policy Group (PG) meeting in October 2010 –SDC “harmonization” is increasingly important for: • Realization of enhanced safety designs meeting to Gen-IV safety goals and safety approach common to SFR systems; • Preparation for the forthcoming licensing in the near future; • Because Gen-IV SFR are progressing into conceptual design stage. • The SDC is the Reference criteria: – Of the designs of safety-related Structures, Systems & Components that are specific to the SFR system; – For clarifying the requisites systematically & comprehensively; – When the technology developers apply the basic safety approach and use the codes & standards for conceptual design of the Gen-IV SFR system

Influence of shelf life on the setting time of type IV gypsum

Science.gov (United States)

Hapsari, M. L.; Irawan, B.; Damiyanti, M.

2017-08-01

Although expired materials can exhibit a deterioration in their properties, expired type IV gypsum can still be found on the market. In order to evaluate the influence of the shelf life on its setting time, two groups of type IV gypsum (GC Fuji rock EP) with different expiration dates were used in this research. The setting time tests were done in a mold using a Vicat Needle apparatus. The results of the statistical analysis showed a significant difference (pshelf life did influence the setting time of the type IV gypsum.

Protective effects of astragaloside IV on db/db mice with diabetic retinopathy.

Directory of Open Access Journals (Sweden)

Yuzhi Ding

Full Text Available Diabetic retinopathy (DR is a common diabetic eye disease which is well-known as the result of microvascular retinal changes. Although the potential biological functions of astragaloside IV (AS IV have long been described in traditional system of medicine, its protective effect on DR remains unclear. This study aims to investigate the function and mechanism of AS IV on type 2 diabetic db/db mice.Db/db mice were treated with AS IV (4.5 mg/kg or 9 mg/kg or physiological saline by oral gavage for 20 weeks along with db/m mice. In each group, retinal ganglion cell (RGC function was measured by pattern electroretinogram (ERG and apoptosis was determined by Terminal deoxynucleotidyl transferase dUTP nick end labeling (TUNEL staining. Blood and retina aldose reductase (AR activity were quantified by chemiluminescence analysis. The expressions of phosporylated-ERK1/2, NF-κB were determined by Western blot analysis. Furthermore, the expression of related downstream proteins were quantified by Label-based Mouse Antibody Array.Administration of AS IV significantly improved the amplitude in pattern ERG and reduced the apoptosis of RGCs.in db/db mice. Furthermore, downregulation of AR activity, ERK1/2 phosphorylation, NF-κB and related cytokine were observed in AS IV treatment group.Our study indicated that AS IV, as an inhibitor of AR, could prevent the activation of ERK1/2 phosporylation and NF-kB and further relieve the RGCs disfunction in db/db mice with DR. It has provided a basis for investigating the clinical efficacy of AR inhibitors in preventing DR.

Efficacy of IV Buscopan as a muscle relaxant in CT colonography

International Nuclear Information System (INIS)

Bruzzi, John F.; Brennan, Darren D.; Fenlon, Helen M.; Moss, Alan C.; MacMathuna, Padraic

2003-01-01

The aim of this study was to examine the efficacy of IV Buscopan as a muscle relaxant in CT colonography in terms of colonic distension and polyp detection, and to determine its particular efficacy in patients with diverticular disease. Seventy-three consecutive patients were randomised to receive IV Buscopan or no muscle relaxant prior to CT colonography. CT colonography was performed using a Siemens Somatom 4-detector multislice CT scanner. The following parameters were recorded: degree of colonic distension using a 4-point scale; diagnostic adequacy of colonic distension; presence or absence of diverticular disease; and presence of colonic polyps. Accuracy of polyp detection was assessed using subsequent conventional colonoscopy as a gold standard. There was no significant difference between the two groups in the number of segments that were deemed to be optimally or adequately distended (p=0.37). Although IV Buscopan did improve distension of certain segments, this effect was not sufficient to improve the number of diagnostically adequate studies in the Buscopan group (p=0.14). In patients with diverticular disease, IV Buscopan did not have any significant effect on segments affected by diverticulosis but was associated with an improvement in distension of more proximal segments. There was no significant difference between the two groups in terms of polyp detection (p=0.34). The addition of prone scanning to supine scanning was found to be the most useful technique for maximising colonic distension. Intravenous Buscopan at CT colonography does not improve the overall adequacy of colonic distension nor the accuracy of polyp detection. In patients with sigmoid diverticular disease IV Buscopan improves distension of more proximal colonic segments and may be useful in selected cases, but our results do not support its routine use for CT colonography. (orig.)

Synthesis and characterization of chiral thorium(IV) and uranium(IV) benzamidinate complexes

Energy Technology Data Exchange (ETDEWEB)

Schoene, Sebastian; Maerz, Juliane; Kaden, Peter; Patzschke, Michael; Ikeda-Ohno, Atsushi [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Chemistry of the F-Elements

2017-06-01

Two chiral benzamidinate complexes of tetravalent actinides (Th(IV) and U(IV)) were synthesized using a salt metathesis reaction of the corresponding actinide(IV) tetrachlorides and the potassium salt of the chiral benzamidine (S,S)-N,N-Bis-(1-phenylethyl)-benzamidine ((S)-HPEBA). The structure of the complexes was determined with single crystal X-ray diffraction. These are the first examples of chiral amidinate complexes of actinides.

Päiväkoti Riemula

OpenAIRE

Alanko, Reetta; Ihanamäki, Katja

2012-01-01

Opinnäytetyössä kuvataan yleisesti päivähoidon kehitystä Suomessa sekä päivähoitoa yrittäjän näkökulmasta, tuoden esille sen tämän päivän haasteet ja mahdollisuudet. Työssä on pohdittu yhteistyön merkitystä kunnan kanssa ja sitä, miten kunta voi osaltaan joko rajoittaa tai edesauttaa yksityisen päivähoitoyrityksen toimintaa. Opinnäytetyössä kerrotaan teoriassa Päiväkoti Riemula nimisen, erityispäivähoitopalveluita tarjoavan yrityksen perustamiseen liittyvistä suunnitelmista. Suunnitelluss...

Oxovanadium(IV)-catalysed oxidation of dibenzothiophene and 4,6-dimethyldibenzothiophene.

Science.gov (United States)

Ogunlaja, Adeniyi S; Chidawanyika, Wadzanai; Antunes, Edith; Fernandes, Manuel A; Nyokong, Tebello; Torto, Nelson; Tshentu, Zenixole R

2012-12-07

The reaction between [V(IV)OSO(4)] and the tetradentate N(2)O(2)-donor Schiff base ligand, N,N-bis(o-hydroxybenzaldehyde)phenylenediamine (sal-HBPD), obtained by the condensation of salicylaldehyde and o-phenylenediamine in a molar ratio of 2 : 1 respectively, resulted in the formation of [V(IV)O(sal-HBPD)]. The molecular structure of [V(IV)O(sal-HBPD)] was determined by single crystal X-ray diffraction, and confirmed the distorted square pyramidal geometry of the complex with the N(2)O(2) binding mode of the tetradentate ligand. The formation of the polymer-supported p[V(IV)O(sal-AHBPD)] proceeded via the nitrosation of sal-HBPD, followed by the reduction with hydrogen to form an amine group that was then linked to Merrifield beads followed by the reaction with [V(IV)OSO(4)]. XPS and EPR were used to confirm the presence of oxovanadium(IV) within the beads. The BET surface area and porosity of the heterogeneous catalyst p[V(IV)O(sal-AHBPD)] were found to be 6.9 m(2) g(-1) and 180.8 Å respectively. Microanalysis, TG, UV-Vis and FT-IR were used for further characterization of both [V(IV)O(sal-HBPD)] and p[V(IV)O(sal-AHBPD)]. Oxidation of dibenzothiophene (DBT) and 4,6-dimethyldibenzothiophene (4,6-DMDBT) was investigated using [V(IV)O(sal-HBPD)] and p[V(IV)O(sal-AHBPD)] as catalysts. Progress for oxidation of these model compounds was monitored with a gas chromatograph fitted with a flame ionization detector. The oxidation products were characterized using gas chromatography-mass spectrometry, microanalysis and NMR. Dibenzothiophene sulfone (DBTO(2)) and 4,6-dimethyldibenzothiophene sulfone (4,6-DMDBTO(2)) were found to be the main products of oxidation. Oxovanadium(IV) Schiff base microspherical beads, p[V(IV)O(sal-AHBPD)], were able to catalyse the oxidation of sulfur in dibenzothiophene (DBT) and 4,6-dimethyldibenzothiophene (4,6-DMDBT) to a tune of 88.0% and 71.8% respectively after 3 h at 40 °C. These oxidation results show promise for potential application

Indicators of suboptimal performance embedded in the Wechsler Memory Scale-Fourth Edition (WMS-IV)

OpenAIRE

Bouman, Zita; Hendriks, Marc PH; Schmand, Ben A; Kessels, Roy PC; Aldenkamp, Albert

2016-01-01

Introduction. Recognition and visual working memory tasks from the Wechsler Memory Scale-Fourth Edition (WMS-IV) have previously been documented as useful indicators for suboptimal performance. The present study examined the clinical utility of the Dutch version of the WMS-IV (WMS-IV-NL) for the identification of suboptimal performance using an analogue study design. Method. The patient group consisted of 59 mixed-etiology patients; the experimental malingerers were 50 healthy individuals...

Indicators of suboptimal performance embedded in the Wechsler Memory Scale-Fourth Edition (WMS-IV)

OpenAIRE

Bouman, Zita; Hendriks, Marc P.H.; Schmand, Ben A.; Kessels, Roy P.C.; Aldenkamp, Albert P.

2016-01-01

Introduction. Recognition and visual working memory tasks from the Wechsler Memory Scale-Fourth Edition (WMS-IV) have previously been documented as useful indicators for suboptimal performance. The present study examined the clinical utility of the Dutch version of the WMS-IV (WMS-IV-NL) for the identification of suboptimal performance using an analogue study design.Method. The patient group consisted of 59 mixed-etiology patients; the experimental malingerers were 50 healthy individuals who ...

IV access in dental practice.

LENUS (Irish Health Repository)

Fitzpatrick, J J

2009-04-01

Intravenous (IV) access is a valuable skill for dental practitioners in emergency situations and in IV sedation. However, many people feel some apprehension about performing this procedure. This article explains the basic principles behind IV access, and the relevant anatomy and physiology, as well as giving a step-by-step guide to placing an IV cannula.

Ionizing radiation risk assessment, BEIR IV

International Nuclear Information System (INIS)

1991-10-01

This report of the Subpanel discusses the potential impact on Federal agencies and indicates individual risk factors that could be used by them in risk assessment. The approach used in this CIRRPC report was to consider the risk factors presented in BEIR IV for each radionuclide (or group radioelements) and to make some judgments regarding their validity and/or the uncertainties involved. The coverage of Radon-222 and its progeny dominated the BEIR IV report and this Subpanel felt is was proper to devote more attention to this radionuclide family. This risk factor presented in BEIR IV for radon is 350 cancer deaths per million person-working level months (WLM) of exposure for a lifetime. There is a range of opinions on the conversion from WLM to absorbed dose. As discussed in the text, the use of the WLM concept makes it difficult or infeasible to compare the risk factor for radon with that of other radionuclides which are based on organ dose. This report also includes a discussion of certain fundamental scientific and operational issues that may have decisive effect upon risk factor selection. These adjunct items are dealt with under separate headings and include discussions of threshold dose considerations, extrapolation to low doses, and age at exposure

Structure of tetrakis(salicylaldehydato)thorium(IV)

Energy Technology Data Exchange (ETDEWEB)

Hill, R J; Rickard, C E.F. [Auckland Univ. (New Zealand). Dept. of Chemistry

1977-01-01

The structure of tetrakis(salicylaldehydato)thorium(IV) has been determined by single crystal X-ray crystallography. The crystals are tetragonal, a = 10.214, b = 23.744 A, space group P4/sub 1/. The molecules are eight coordinate, the coordination polyhedron being a dodecahedron with approximate Dsub(2d) symmetry. The dodecahedral A sites are occupied by the aldehydic oxygens and the phenolic oxygens occupy the B sites.

Chemistry of the Colloidal Group II-VI Nanocrystal Synthesis

Energy Technology Data Exchange (ETDEWEB)

Liu, Haitao [Univ. of California, Berkeley, CA (United States)

2007-05-17

In the last two decades, the field of nanoscience andnanotechnology has witnessed tremendous advancement in the synthesis andapplication of group II-VI colloidal nanocrystals. The synthesis based onhigh temperature decomposition of organometallic precursors has becomeone of the most successful methods of making group II-VI colloidalnanocrystals. This methodis first demonstrated by Bawendi and coworkersin 1993 to prepare cadmium chalcogenide colloidal quantum dots and laterextended by others to prepare other group II-VI quantum dots as well asanisotropic shaped colloidal nanocrystals, such as nanorod and tetrapod.This dissertation focuses on the chemistry of this type of nanocrystalsynthesis. The synthesis of group II-VI nanocrystals was studied bycharacterizing the molecular structures of the precursors and productsand following their time evolution in the synthesis. Based on theseresults, a mechanism was proposed to account for the 2 reaction betweenthe precursors that presumably produces monomer for the growth ofnanocrystals. Theoretical study based on density functional theorycalculations revealed the detailed free energy landscape of the precursordecomposition and monomerformation pathway. Based on the proposedreaction mechanism, a new synthetic method was designed that uses wateras a novel reagent to control the diameter and the aspect ratio of CdSeand CdS nanorods.

Immunohistochmical Study of Glomerular Mesengial Collagen IV Expression in Diabetic Balb/c Mice

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M. Jalali

2006-04-01

Full Text Available Introduction & Objective: Extra-cellular matrix and basement membrane play important roles in many developmental phenamenon during development and after birth. Among the components of the basement membrane, collagen fibers specially type IV, are the most important part of this area. As kidney is one of the target organs in diabetes mellitus and diabetic nephropathy is a major cause of end stage-renal disease and result an increase in morbidity and mortality of effected individuals, therefore early diagnosis leads to better treatment. The aim of this investigation was to study the primary diagnostic parameters by special regards to collagen IV fibers.Materials & Methods: In this study, 24 male balb/c mice were divided into experimental and control groups. In experimental group, the beta cells of Langerhance were chemically destroyed by an injection of 160 mg/kg alloxan and subdivided in experimental groups 1 and 2. Controls were kept untreated. Experimental group 1and 2 were sacrified 8 and 16 weeks after treatment with alloxan respectively. The same procedure was performed for control group. Immunohistochmical studies were carried out using monocolonal antibody against collagen type IV in Glomeruli. In addition, using morphometrical and stereological methods the volume of the glumerles was compared in all groups.Results: Our finding showed that in experimental groups with special regards in 16 weeks diabetic mice, the rate of collagen type IV in basement membrane around the parietal layer of Bowman capsule, mesangial cells and endothelium of capillary in glomerules increased significantly compared to controls and experimental group 1 (p<0.05, while there was not a significant difference among experimental group 2 and controls. Our data also revealed that the number of mesangial cells as well as glomerular volume increased significantly in experimental 2 (4.635±0.289×106µm3 compared to experimental 1 (3.504±0.189×106µm3 and controls (3.422�

Structure of organometallic compounds obtained by plasma of titanium isopropoxide; Estructura de compuestos organometalicos obtenidos por plasma de isopropoxido de titanio

Energy Technology Data Exchange (ETDEWEB)

Arreola R, M. L.

2012-07-01

This work presents a study on the synthesis and characterization of organometallic compounds of titanium oxide obtained from glow discharges of titanium tetraisopropoxide (TTIP) and water on glass and polyethylene. The objective is the synthesis of titanium oxide particles which can be fixed on different supports for use in further studies of contaminants degradation in effluent streams. The synthesis was carried out by plasma in a glass tubular reactor of 750 cm{sup 3} and 15 cm length at 10{sup -1} mbar with power between 100 and 150 W during 2, 3 and 4 h. The precursors were TTIP and water vapor. TTIP is an organometallic compound composed of a central atom of Ti surrounded by 4 O atoms, which in turn are connected with chains of 3 C (propane s). The objective is the use of plasma collisions to separate the organic and inorganic phases of TTIP, so that both structure independently in a single material. The result was the formation of white titanium oxide powder composed with agglomerates of spherical particles with average diameter between 160 and 452 nm adhered to small films. The agglomerates have a tendency to change from film to particles with the energy applied to the synthesis. The study of the chemical structure showed a great presence of O{sub 2}-Ti-O{sub 2} (Ti surrounded by O) which can be found in most titanium oxides. Other chemical groups belonging to the organic phase were C=C=C, C=C=O and C{sub 2}-C-Ch appearing from the dehydrogenation of TTIP, which can be a possible precursor of this reactions kind. The structural superficial analyses showed that the atomic composition varies according to type of substrate used. The greatest content of Ti was obtained on glass substrates. However, the synthesis conditions had not evident effect in the participation of chemical states found in the inorganic phase. The crystalline studies indicated that the material is amorphous, although the de convoluted X-ray spectra showed that the synthesized titanium oxides

Phosphane-Based Cyclodextrins as Mass Transfer Agents and Ligands for Aqueous Organometallic Catalysis

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Eric Monflier

2012-11-01

Full Text Available The replacement of hazardous solvents and the utilization of catalytic processes are two key points of the green chemistry movement, so aqueous organometallic catalytic processes are of great interest in this context. Nevertheless, these processes require not only the use of water-soluble ligands such as phosphanes to solubilise the transition metals in water, but also the use of mass transfer agents to increase the solubility of organic substrates in water. In this context, phosphanes based on a cyclodextrin skeleton are an interesting alternative since these compounds can simultaneously act as mass transfer agents and as coordinating species towards transition metals. For twenty years, various cyclodextrin-functionalized phosphanes have been described in the literature. Nevertheless, while their coordinating properties towards transition metals and their catalytic properties were fully detailed, their mass transfer agent properties were much less discussed. As these mass transfer agent properties are directly linked to the availability of the cyclodextrin cavity, the aim of this review is to demonstrate that the nature of the reaction solvent and the nature of the linker between cyclodextrin and phosphorous moieties can deeply influence the recognition properties. In addition, the impact on the catalytic activity will be also discussed.

Complexation of the An(IV) by NTA; Complexation des An(IV) par le NTA

Energy Technology Data Exchange (ETDEWEB)

Bonin, L. [Paris-11 Univ., 91 - Orsay (France)]|[CEA Valrho, Lab. de Chimie des Actinides (LCA), 30 - Marcoule (France)

2006-07-01

In the framework of the Nuclear and Environmental Toxicology program, developed in France, it has been decided to take again the studies concerning the actinides decorporation. A similar study of the neptunium complexation by the citrate ions has been carried out on the complexation of Np(IV) with the nitrilotriacetic acid (NTA). The NTA can be considered as a model molecule of the de-corporating molecules (amino-carboxy- ligand). The results of the spectrophotometric measurements being encouraging, the behaviour of several actinides at the same oxidation state (+IV) (Th(IV), U(IV), Np(IV), and Pu(IV)) has been determined. The experimental results are presented. In order to determine the structure of the complexes of stoichiometry 1:2 An(IV)-(NTA){sub 2} in solution, quantic chemistry calculations and EXAFS measurements have been carried out in parallel. These studies confirm the presence of An(IV)-nitrogen bonds whose length decreases from thorium to plutonium and indicate the presence of a water molecule bound to the thorium and the uranium (coordination number 8 for Np/Pu, 9 for Th/U). The evolution of the complexation constants determined in this study in terms of 1/r (r ionic radius of the cation taking into account its coordination number 8 or 9) confirms the change of the coordination number between Th/U and Np/Pu. (O.M.)

Trimethylsilylcyclopentadienes with Polyfluorinated Ponytails and Mono- and Bis(?5-cyclopentadienyl)titanium(IV) Complexes Derived from Them

Czech Academy of Sciences Publication Activity Database

Čermák, Jan; Červenková Šťastná, Lucie; Sýkora, Jan; Císařová, I.; Kvíčala, J.

2004-01-01

Roč. 23, č. 12 (2004), s. 2850-2854 ISSN 0276-7333 R&D Projects: GA ČR GA203/99/M037; GA AV ČR IAA4072203; GA AV ČR IAA4072005 Institutional research plan: CEZ:AV0Z4072921 Keywords : molecular structure * organometallic chemistry * methodology Subject RIV: CA - Inorganic Chemistry Impact factor: 3.196, year: 2004

A further insight into the biosorption mechanism of Pt(IV by infrared spectrometry

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Xu Zhenling

2009-07-01

Full Text Available Abstract Background Platinum nanomaterial is one of the significant noble metal catalysts, and the interaction of platinum with microbe is one of the key factors in influencing the size and the distribution of the platinum nanoparticles on the microbial biomass. Some properties of Pt(IV adsorption and reduction by resting cells of Bacillus megatherium D01 biomass have once been investigated, still the mechanism active in the platinum biosorption remains to be seen and requires further elucidating. Result A further insight into the biosorption mechanism of Pt(IV onto resting cells of Bacillus megatherium D02 biomass on a molecular level has been obtained. The image of scanning electron microscopy (SEM of the D02 biomass challenged with Pt(IV displayed a clear distribution of bioreduced platinum particles with sizes of nanometer scale on the biomass. The state of Pt(IV bioreduced to elemental Pt(0 examined via X-ray photoelectron spectroscopy (XPS suggested that the biomass reduces the Pt(IV to Pt(II followed by a slower reduction to Pt(0. The analysis of glucose content in the hydrolysates of D02 biomass for different time intervals using ultraviolet-visible (UV-vis spectrophotometry indicated that certain reducing sugars occur in the hydrolyzed biomass and that the hydrolysis of polysaccharides of the biomass is a rapid process. The infrared (IR spectrometry on D02 biomass and that challenged with Pt(IV, and on glucose and that reacted with Pt(IV demonstrated that the interaction of the biomass with Pt(IV seems to be through oxygenous or nitrogenous chemical functional groups on the cell wall biopolymers; that the potential binding sites for Pt species include hydroxyl of saccharides, carboxylate anion and carboxyl of amino acid residues, peptide bond, etc.; and that the free monosaccharic group bearing hemiacetalic hydroxyl from the hydrolyzed biomass behaving as an electron donor, in situ reduces the Pt(IV to Pt(0. And moreover, the binding of

Synthesis and Structure Determination of Di-tert-butyltin (IV) Dithiocarbamate)

International Nuclear Information System (INIS)

Amirah Faizah Abdul Muthalib; Ibrahim Baba; Yang Farina Abdul Aziz; Mohd Wahid Samsudin

2013-01-01

New diorganotin (IV) dithiocarbamate complexes have been synthesized from di-tert-butyltin (IV) dichloride, N-dialkylamine and carbon disulphide. Elemental and gravimetric analysis confirmed the general formula of these complexes as (t- C 4 H 9 ) 2 Sn[S 2 CNR 1 R 2 ] 2 (R 1 = CH 3 , C 2 H 5 , C 7 H 7 dan R 2 = C 2 H 5 , C 6 H 11 , iC 3 H 7 , CH 3 , C 2 H 5 , C 4 H 9 , C 7 H 7 ). The structures of these complexes have been elucidated on the basis of infrared, ultraviolet, 1 H, 13 C and 119 Sn NMR spectroscopy and X-ray crystallography. The infrared spectra of these complexes showed three main peaks for v(C-N), v(C-S) and v(Sn-S) bands that appeared in the region of 1447-1496, 947-988 and 352-370 cm -1 , respectively. The 13 C NMR spectrum showed the chemical shift for ?(N 13 CS 2 ) in the range of 199.1-201.8 ppm. X-ray single crystal structure (C 4 H 9 ) 2 Sn[S 2 CN(CH 3 )(iC 3 H 7 )] 2 demonstrated a six-coordination geometry around the tin atom adopting a monoclinic system with a space group of P2/n with a = 11.2934(11) Angstrom, b = 7.0175(7) Angstrom, c = 15.6894(15) Angstrom; β = 95.016(1) degree. The (N-benzyl-N-ethyl dithiocarbamato)chloride di-tert-butyltin(IV) and (N,N-dibenzyl dithiocarbamato)chloride-di-(tert-butyl)tin(IV) formed a different geometry with one dithiocarbamate ligand and one chlorine atom attached to the tin centre to form a five-coordinate structure. Crystal of (N-benzyl-N-ethyl dithiocarbamato)chloride di-tert-butyltin(IV) adopts a triclinic system with space group of P1 and cell parameter of a = 8.6140 (2) Angstrom, b = 10.9604 (3) Angstrom, c = 11.4765 (3) Angstrom; α = 91.858 (2) degree, β = 96.193 (2) degree, γ = 96.011 (2) degree, while (N,N-dibenzyl dithiocarbamato)chloride-di-(tert-butyl)tin(IV) adopts a monoclinic system with space group of P2 i with cell parameter a = 9.0600 (2) Angstrom, b = 10.9238 (2) Angstrom, c = 12.7845 (3) Angstrom; β= 102.759 (2) degree. (author)

Comparison of Effectiveness of Betamethasone gel Applied to the Tracheal Tube and IV Dexamethasone on Postoperative Sore Throat: A Randomized Controlled Trial.

Science.gov (United States)

Tabari, Masumeh; Soltani, Ghasem; Zirak, Nahid; Alipour, Moammad; Khazaeni, Kamran

2013-09-01

Postoperative sore throat is a common complaint in patients with endotracheal intubation and has potentially dangerous complications. This randomized controlled trial study investigated the incidence of postoperative sore throat after general anesthesia when betamethasone gel is applied to a tracheal tube compared with when IV dexamethasone is prescribed. Two hundred and twenty five American Society of Anesthesiologist (ASA)-class I and II patients undergoing elective abdominal surgery with tracheal intubation were randomly divided into three groups: betamethasone gel, intravenous (IV) dexamethasone, and control groups. In the post-anesthesia care unit, a blinded anesthesiologist interviewed all patients regarding postoperative sore throat at 1,6, and 24 hours after surgery. The incidence of sore throat was significantly lower in the betamethasone gel group compared with the IV dexamethasone and control groups, 1, 6, and 24 hours after surgery. In the first day after surgery 10.7% of the betamethasone group had sore throat whereas 26.7% of the IV dexamethasone group and 30.7% of the control group had sore throat. Bucking before extubation was observed in 14(18.4%), 8(10.4%), and 9(12.2%) patients, in the IV dexamethasone, betamethasone gel, and control group, respectively. We concluded that wide spread application of betamethasone gel over tracheal tubes effectively mitigates postoperative sore throat, compared with IV dexamethasone application.

Comparison of Effectiveness of Betamethasone gel Applied to the Tracheal Tube and IV Dexamethasone on Postoperative sore Throat: A Randomized Controlled Trial

Directory of Open Access Journals (Sweden)

Masoomeh Tabari

2013-10-01

Full Text Available Introduction: Postoperative sore throat is a common complaint in patients with endotracheal intubation and has potentially dangerous complications. This randomized controlled trial study investigated the incidence of postoperative sore throat after general anesthesia when betamethasone gel is applied to a tracheal tube compared with when IV dexamethasone is prescribed.   Materials and Methods: Two hundred and twenty five American Society of Anesthesiologist (ASA-class I and II patients undergoing elective abdominal surgery with tracheal intubation were randomly divided into three groups: betamethasone gel, intravenous (IV dexamethasone, and control groups. In the post-anesthesia care unit, a blinded anesthesiologist interviewed all patients regarding postoperative sore throat at 1,6, and 24 hours after surgery.   Results: The incidence of sore throat was significantly lower in the betamethasone gel group compared with the IV dexamethasone and control groups, 1, 6, and 24 hours after surgery. In the first day after surgery 10.7% of the betamethasone group had sore throat whereas 26.7% of the IV dexamethasone group and 30.7% of the control group had sore throat. Bucking before extubation was observed in 14(18.4%, 8(10.4%, and 9(12.2% patients, in the IV dexamethasone, betamethasone gel, and control group, respectively.   Conclusion:  We concluded that wide spread application of betamethasone gel over tracheal tubes effectively mitigates postoperative sore throat, compared with IV dexamethasone application.

Synthesis and purification of some main group organometallic ...

Indian Academy of Sciences (India)

Unknown

Novel Materials and Structural Chemistry Division, Bhabha Atomic Research Centre, Mumbai 400 085, India. Abstract. Metal–organic ... of AsH3 in GaAs synthesis; ~ 4 h half life of SbH3 at room temperature) has been a driving force to develop new molecular ... pound). Thermal dissociation of these adducts at an appro-.

Mixed complexes of uranium(IV) and thorium(IV) with N,N'-ethylenebis(salicylideneimine) and N,N'-propylenebis(salicylideneimine)

Energy Technology Data Exchange (ETDEWEB)

Doretti, L; Madalosso, F; Sitran, S; Faleschini, S [Consiglio Nazionale delle Ricerche, Padua (Italy). Lab. di Chimica e Tecnologia dei Radioelementi

1976-01-01

Recently some uranium tetrachloride adducts with N-(hydroxyphenyl)-salicylaldimine and N-(methoxyphenyl)salicylaldimine have been prepared (Doretti et al., J. Inorg. Nucl. Chem., (in press)): the study has now extended to the complexes of Uranium(IV) and Thorium(IV) with N,N'-Ethylenebis(salicylideneimine), H/sub 2/salen, and N,N'-Propylenebis(salicylideneimine), H/sub 2/salpropen, with the aim to prepare fully substituted complexes, mixed complexes containing both chloride and Schiff base groups and adducts of tetrachlorides with free Schiff bases. This paper reports the preparation and properties of the compounds MCl/sub 4/(H/sub 2/salen), MCl/sub 4/(H/sub 2/salpropen), M(salen)Cl/sub 2/, M(salen)/sub 2/ and M(salpropen)/sub 2/, where M = U or Th. These compounds have been characterized by elemental analyses and their IR spectra are reported and discussed.

Clinical value of the joint measurement of serum concentrations of type IV collagen and laminin in patients with diabetic nephropathy

International Nuclear Information System (INIS)

Wang Lu; Wang Ping; Li Yongpei

2004-01-01

Objective: To study clinical value of the joint measurement of serum concentrations of type IV collagen (IV C) and laminin (LN) in patients with diabetic nephropathy (DN) by radioimmunoassay (RIA). Methods: Serum concentrations of IV C, LN were measured by RIA in 35 diabetic patients with normalbuminuria (group A), 28 cases of microalbuminuria (group B), 15 cases of macroalbuminuria (group C) and 30 normal subjects as control . Results: The serum concentrations of IV C, LN in total 78 diabetic patients [(97.6 ± 19.2), (132.4 ± 31.5) μg/L] were higher than that of the controls [(77.4 ± 8.2), (101.5 ± 17.6) μg/L, P<0.05], especially in group B and C, it was remarkably higher compared with the controls (P<0.05, P<0.01). There was significant positive correlation of serum IV C, LN to diabetic duration and the levels of blood urea nitrogen (BUN), creatinine (Cr), urinary albumin excretion rate (UAER). Conclusions: The results suggest that the joint measurement of serum levels of IV C, LN and UAER in DN patients might better evaluate the development process of DN, and be of help for early diagnosis and treatment of DN. Serum levels of IV C, LN and UAER in DN patients may become the reliable clinical markers for assessing the severity and predicting the prognosis of DN

Validation of the Monte Carlo criticality program KENO IV and the Hansen-Roach sixteen-energy-group-cross sections for high-assay uranium systems

International Nuclear Information System (INIS)

Handley, G.R.; Masters, L.C.; Stachowiak, R.V.

1981-01-01

Validation of the Monte Carlo criticality code, KENO IV, and the Hansen-Roach sixteen-energy-group cross sections was accomplished by calculating the effective neutron multiplication constant, k/sub eff/, of 29 experimentally critical assemblies which had uranium enrichments of 92.6% or higher in the uranium-235 isotope. The experiments were chosen so that a large variety of geometries and of neutron energy spectra were covered. Problems, calculating the k/sub eff/ of systems with high-uranium-concentration uranyl nitrate solution that were minimally reflected or unreflected, resulted in the separate examination of five cases

A novel technique for the treatment of stages III to IV hemorrhoids

Science.gov (United States)

Lin, Guoqiang; Ge, Qiongxiang; He, Xiaokang; Qi, Haixin; Xu, Li

2017-01-01

Abstract To compare the efficacy of homemade anal cushion suspension clamp combined with harmonic scalpel (ACS) and Milligan–Morgan hemorrhoidectomy combined with electric knife (MMH) in the treatment of stages III to IV hemorrhoids. We conducted a retrospective study of 99 patients with stages III to IV hemorrhoids hospitalized from January to December in 2013. Among them, 51 patients were treated with ACS, while 48 patients received MMH. Data from clinical recording and follow-up included operative time, intraoperative blood loss, hospitalization information, postoperative pain, and postoperative complications. Operative time, intraoperative blood loss and hospitalization time in ACS group were significantly less than those in MMH group (P hemorrhoids. PMID:28658138

Role of 17 beta-estradiol on type IV collagen fibers volumetric density in the basement membrane of bladder wall.

Science.gov (United States)

de Fraga, Rogerio; Dambros, Miriam; Miyaoka, Ricardo; Riccetto, Cássio Luís Zanettini; Palma, Paulo César Rodrigues

2007-10-01

The authors quantified the type IV collagen fibers volumetric density in the basement membrane of bladder wall of ovariectomized rats with and without estradiol replacement. This study was conducted on 40 Wistar rats (3 months old) randomly divided in 4 groups: group 1, remained intact (control); group 2, submitted to bilateral oophorectomy and daily replacement 4 weeks later of 17 beta-estradiol for 12 weeks; group 3, sham operated and daily replacement 4 weeks later of sesame oil for 12 weeks; and group 4, submitted to bilateral oophorectomy and killed after 12 weeks. It was used in immunohistochemistry evaluation using type IV collagen polyclonal antibody to stain the fibers on paraffin rat bladder sections. The M-42 stereological grid system was used to analyze the fibers. Ovariectomy had an increase effect on the volumetric density of the type IV collagen fibers in the basement membrane of rat bladder wall. Estradiol replacement in castrated animals demonstrated a significative difference in the stereological parameters when compared to the castrated group without hormonal replacement. Surgical castration performed on rats induced an increasing volumetric density of type IV collagen fibers in the basement membrane of rats bladder wall and the estradiol treatment had a significant effect in keeping a low volumetric density of type IV collagen fibers in the basement membrane of rats bladder wall.

KENO IV: an improved Monte Carlo criticality program

International Nuclear Information System (INIS)

Petrie, L.M.; Cross, N.F.

1975-11-01

KENO IV is a multigroup Monte Carlo criticality program written for the IBM 360 computers. It executes rapidly and is flexibly dimensioned so the allowed size of a problem (i.e., the number of energy groups, number of geometry cards, etc., are arbitrary) is limited only by the total data storage required. The input data, with the exception of cross sections, fission spectra and albedos, may be entered in free form. The geometry input is quite simple to prepare and complicated three-dimensional systems can often be described with a minimum of effort. The results calculated by KENO IV include k-effective, lifetime and generation time, energy-dependent leakages and absorptions, energy- and region-dependent fluxes and region-dependent fission densities. Criticality searches can be made on unit dimensions or on the number of units in an array. A summary of the theory utilized by KENO IV, a section describing the logical program flow, a compilation of the error messages printed by the code and a comprehensive data guide for preparing input to the code are presented. 14 references

Synthesis and thermal behavior of new organometallic poly ketones and co-poly ketones based on diferrocenylidene piperidone

International Nuclear Information System (INIS)

Aly, K.I.

2005-01-01

A new interesting category of organometallic poly ketones and copolyketones were synthesized via Friedel - Crafts reaction through the polymerization of 2,6-[Bis (2-ferrocenyl )methylene] N-methylpiperidone (II) with different diacid chlorides. The model compound was synthesized by reacting the monomer (II) with benzoyl chloride and characterized by HNMR, IR and elemental analyses. The poly ketones and copolyketones were insoluble in most organic solvents but soluble easily in protic solvents. The thermal properties of these poly ketones and copolyketones were evaluated and correlated to their structural units by TGA and DSC measurements, and had inherent viscosity 0.34-0.52 dl g-1. Moreover, the electrical conductivity of one of the poly ketones, as selected example, Va and copolyketone VI were investigated above the temperature range (300-500 K) and showed that it followed an Arrhenius equation with activation energy 2.09 eV, also the morphological properties of selected examples of poly-and copolyketones were detected by SEM

To nearly come full circle: Nonoperative management of high-grade IV-V blunt splenic trauma is safe using a protocol with routine angioembolization.

Science.gov (United States)

Bhullar, Indermeet S; Tepas, Joseph J; Siragusa, Daniel; Loper, Todd; Kerwin, Andrew; Frykberg, Eric R

2017-04-01

Nonoperative management (NOM) of hemodynamically stable high-grade (IV-V) blunt splenic trauma remains controversial given the high failure rates (19%) that persist despite angioembolization (AE) protocols. The NOM protocol was modified in 2011 to include mandatory AE of all grade (IV-V) injuries without contrast blush (CB) along with selective AE of grade (I-V) with CB. The purpose of this study was to determine if this new AE (NAE) protocol significantly lowered the failure rates for grade (IV-V) injuries allowing for safe observation without surgery and if the exclusion of grade III injuries allowed for the prevention of unnecessary angiograms without affecting the overall failure rates. The records of patients with blunt splenic trauma from January 2000 to October 2014 at a Level I trauma center were retrospectively reviewed. Patients were divided into two groups and failure of NOM (FNOM) rates compared: NAE protocol (2011-2014) with mandatory AE for all grade (IV-V) injuries without CB and selective AE for grade (I-V) with CB versus old AE (OAE) protocol (2000-2010) with selective AE for grade (I-V) with CB. Seven hundred twelve patients underwent NOM with 522 (73%) in the OAE group and 190 (27%) in the NAE group. Evolving from the OAE to the NAE strategy resulted in a significantly lower FNOM rate for the overall group (grade I-V) (OAE vs. NAE, 4% to 1%, p = 0.04) and the grade (IV-V) group (OAE vs. NAE, 19% vs. 3%, p = 0.01). Angiograms were avoided in 113 grade (I-III) injuries with no CB; these patients had NOM with observation alone and none failed. A protocol using mandatory AE of all high-grade (IV-V) injuries without CB and selective AE of grade (I-V) with CB may provide for optimum salvage with safe NOM of the high-grade injuries (IV-V) and limited unnecessary angiograms. Therapeutic study, level IV.

[Diagnostic values of serum type III procollagen N-terminal peptide in type IV gastric cancer].

Science.gov (United States)

Akazawa, S; Fujiki, T; Kanda, Y; Kumai, R; Yoshida, S

1985-04-01

Since increased synthesis of collagen has been demonstrated in tissue of type IV gastric cancer, we attempted to distinguish type IV gastric cancer from other cancers by measuring serum levels of type III procollagen N-terminal peptide (type III-N-peptide). Mean serum levels in type IV gastric cancer patients without metastasis were found to be elevated above normal values and developed a tendency to be higher than those in types I, II and III gastric cancer patients without metastasis. Highly positive ratios were found in patients with liver diseases including hepatoma and colon cancer, biliary tract cancer, and esophageal cancer patients with liver, lung or bone metastasis, but only 2 out of 14 of these cancer patients without such metastasis showed positive serum levels of type III-N-peptide. Positive cases in patients with type IV gastric cancer were obtained not only in the group with clinical stage IV but also in the groups with clinical stages II and III. In addition, high serum levels of type III-N-peptide in patients with type IV gastric cancer were seen not only in the cases with liver, lung or bone metastasis but also in cases with disseminated peritoneal metastasis alone. These results suggest that if the serum level of type III-N-peptide is elevated above normal values, type IV gastric cancer should be suspected after ruling out liver diseases, myelofibrosis and liver, lung or bone metastasis.

Outdoor Biology Instructional Strategies Trial Edition, Set IV.

Science.gov (United States)

Throgmorton, Larry, Ed.; And Others

Eight games are included in the 24 activities in the Outdoor Biology Instructional Strategies (OBIS) Trial Edition Set IV. There are also simulations, crafts, biological techniques, and organism investigations focusing on animal and plant life in the forest, desert, and snow. Designed for small groups of children ages 10 to 15 from schools and…

Effect of Isometric Hand Grip Exercises on Blood Flow and Placement of IV Catheters for Administration of Chemotherapy.

Science.gov (United States)

Ozkaraman, Ayse; Yesilbalkan, Öznur Usta

2016-04-01

Complications may occur in the subcutaneous or subdermal tissues during IV administration of chemotherapy related to blood flow and catheter placement. Daily isometric hand grip exercises were evaluated for their effect on blood flow in the vessels of the nondominant arm before placement of IV catheters and the success rate of IV catheter placement on the first attempt. The study focused on patients with non-Hodgkin lymphoma receiving the first and second cycles of chemotherapy. The intervention group performed daily isometric hand grip exercises before chemotherapy with peripheral catheter insertion. The control group performed routine activities only. Blood flow was measured by ultrasound in the brachial artery (BA) and brachial vein (BV) of the nondominant arm before the first (T1) and second (T2) cycles of chemotherapy. Blood flow slightly increased in the intervention group at T2 compared to T1. In the control group, blood flow decreased in the BA and did not change in the BV at T2 compared to T1. The success rate for first-attempt placement of a peripheral IV catheter was the same for the intervention and control groups.

Size distribution of silver nanoclusters induced by ion, electron, laser beams and thermal treatments of an organometallic precursor

International Nuclear Information System (INIS)

D'Urso, L.; Nicolosi, V.; Compagnini, G.; Puglisi, O.

2004-01-01

Recently, a huge variety of physical and chemical synthetic processes have been reported to prepare nanostructured materials made of very small (diameter<50 nm) metallic clusters. Depending on the nature of clusters, this new kind of materials posses interesting properties (electronic, optical, magnetic, catalytic) that can be tailored as a function of the particles size and shape. Silver nanoparticles have been obtained by direct thermal treatment or by beam-enhanced decomposition (ion, electron and laser) of a silver organometallic compound (precursor) spinned onto suitable substrates. In this paper, we present the results of a study on the size distribution of such nanoparticles as a function of the different synthesis methods. It was found that the methods employed strongly affect the silver nanoparticles formation. Smaller silver nanoclusters were obtained after reduction by ion beam irradiation and thermal treatment, as observed by using different techniques (AFM, XRD and UV-Vis)

Comparative Analysis of Inpatient Costs for Obstetrics and Gynecology Surgery Patients Treated With IV Acetaminophen and IV Opioids Versus IV Opioid-only Analgesia for Postoperative Pain.

Science.gov (United States)

Hansen, Ryan N; Pham, An T; Lovelace, Belinda; Balaban, Stela; Wan, George J

2017-10-01

Recovery from obstetrics and gynecology (OB/GYN) surgery, including hysterectomy and cesarean section delivery, aims to restore function while minimizing hospital length of stay (LOS) and medical expenditures. Our analyses compare OB/GYN surgery patients who received combination intravenous (IV) acetaminophen and IV opioid analgesia with those who received IV opioid-only analgesia and estimate differences in LOS, hospitalization costs, and opioid consumption. We performed a retrospective analysis of the Premier Database between January 2009 and June 2015, comparing OB/GYN surgery patients who received postoperative pain management with combination IV acetaminophen and IV opioids with those who received only IV opioids starting on the day of surgery and continuing up to the second postoperative day. We performed instrumental variable 2-stage least-squares regressions controlling for patient and hospital covariates to compare the LOS, hospitalization costs, and daily opioid doses (morphine equivalent dose) of IV acetaminophen recipients with that of opioid-only analgesia patients. We identified 225 142 OB/GYN surgery patients who were eligible for our study of whom 89 568 (40%) had been managed with IV acetaminophen and opioids. Participants averaged 36 years of age and were predominantly non-Hispanic Caucasians (60%). Multivariable regression models estimated statistically significant differences in hospitalization cost and opioid use with IV acetaminophen associated with $484.4 lower total hospitalization costs (95% CI = -$760.4 to -$208.4; P = 0.0006) and 8.2 mg lower daily opioid use (95% CI = -10.0 to -6.4), whereas the difference in LOS was not significant, at -0.09 days (95% CI = -0.19 to 0.01; P = 0.07). Compared with IV opioid-only analgesia, managing post-OB/GYN surgery pain with the addition of IV acetaminophen is associated with decreased hospitalization costs and reduced opioid use.

A prognostic scoring model for survival after locoregional therapy in de novo stage IV breast cancer.

Science.gov (United States)

Kommalapati, Anuhya; Tella, Sri Harsha; Goyal, Gaurav; Ganti, Apar Kishor; Krishnamurthy, Jairam; Tandra, Pavan Kumar

2018-05-02

The role of locoregional treatment (LRT) remains controversial in de novo stage IV breast cancer (BC). We sought to analyze the role of LRT and prognostic factors of overall survival (OS) in de novo stage IV BC patients treated with LRT utilizing the National Cancer Data Base (NCDB). The objective of the current study is to create and internally validate a prognostic scoring model to predict the long-term OS for de novo stage IV BC patients treated with LRT. We included de novo stage IV BC patients reported to NCDB between 2004 and 2015. Patients were divided into LRT and no-LRT subsets. We randomized LRT subset to training and validation cohorts. In the training cohort, a seventeen-point prognostic scoring system was developed based on the hazard ratios calculated using Cox-proportional method. We stratified both training and validation cohorts into two "groups" [group 1 (0-7 points) and group 2 (7-17 points)]. Kaplan-Meier method and log-rank test were used to compare OS between the two groups. Our prognostic score was validated internally by comparing the OS between the respective groups in both the training and validation cohorts. Among 67,978 patients, LRT subset (21,200) had better median OS as compared to that of no-LRT (45 vs. 24 months; p < 0.0001). The group 1 and group 2 in the training cohort showed a significant difference in the 3-year OS (p < 0.0001) (68 vs. 26%). On internal validation, comparable OS was seen between the respective groups in each cohort (p = 0.77). Our prognostic scoring system will help oncologists to predict the prognosis in de novo stage IV BC patients treated with LRT. Although firm treatment-related conclusions cannot be made due to the retrospective nature of the study, LRT appears to be associated with a better OS in specific subgroups.

Classification of pediatric functional gastrointestinal disorders related to abdominal pain using Rome III vs. Rome IV criterions.

Science.gov (United States)

Edwards, Trent; Friesen, Craig; Schurman, Jennifer V

2018-03-17

The primary purpose of this study was to compare Rome III and IV evaluation criteria for irritable bowel syndrome (IBS), functional dyspepsia (FD), and an overlap syndrome consisting of both IBS and FD by assessing the frequency of each diagnosis in a population of children with chronic abdominal pain. Frequencies of Rome IV FD subtypes of postprandial distress syndrome (PDS) and epigastric pain syndrome (EPS) were determined and FD/IBS overlap symptom associations were also assessed. We conducted a cross-sectional retrospective chart review of 106 pediatric patients who had completed standardized medical histories as part of their evaluation for chronic abdominal pain. The patients ranged from eight to 17 years of age and reported having abdominal pain at least weekly for 8 weeks. Patients whose evaluation revealed gastrointestinal disease were excluded. The patients' diagnoses were determined by a single pediatric gastroenterologist utilizing the specific criteria for Rome III and IV, respectively. Patients were significantly more likely to be diagnosed with FD (84.9% vs. 52.8%), IBS (69.8% vs. 34%), and FD/IBS overlap (58.5% vs. 17.9%) by Rome IV criteria, as compared to Rome III criteria. With regard to Rome IV FD subtypes, 81.1% fulfilled criteria for PDS, 11.1% fulfilled criteria for EPS, 6.7% fulfilled criteria for both, and 1.1% did not fulfill criteria for either. Finally, we found an increased frequency of diarrhea and pain with eating in the overlap group compared to the non-overlap group of Rome III, while only an increased frequency of diarrhea was found in the overlap group compared to the non-overlap group of Rome IV. Our data demonstrate that utilizing Rome IV criteria, as compared to Rome III, results in an increase in the diagnosis of FD, a two-fold increase in the diagnosis of IBS, and a three-fold increase in the diagnosis of FD/IBS overlap. Rome IV criteria appears to result in greater heterogeneity within diagnostic categories. It is important

X-Band Electron Paramagnetic Resonance Comparison of Mononuclear Mn(IV)-oxo and Mn(IV)-hydroxo Complexes and Quantum Chemical Investigation of Mn(IV) Zero-Field Splitting.

Science.gov (United States)

Leto, Domenick F; Massie, Allyssa A; Colmer, Hannah E; Jackson, Timothy A

2016-04-04

X-band electron paramagnetic resonance (EPR) spectroscopy was used to probe the ground-state electronic structures of mononuclear Mn(IV) complexes [Mn(IV)(OH)2(Me2EBC)](2+) and [Mn(IV)(O)(OH)(Me2EBC)](+). These compounds are known to effect C-H bond oxidation reactions by a hydrogen-atom transfer mechanism. They provide an ideal system for comparing Mn(IV)-hydroxo versus Mn(IV)-oxo motifs, as they differ by only a proton. Simulations of 5 K EPR data, along with analysis of variable-temperature EPR signal intensities, allowed for the estimation of ground-state zero-field splitting (ZFS) and (55)Mn hyperfine parameters for both complexes. From this analysis, it was concluded that the Mn(IV)-oxo complex [Mn(IV)(O)(OH)(Me2EBC)](+) has an axial ZFS parameter D (D = +1.2(0.4) cm(-1)) and rhombicity (E/D = 0.22(1)) perturbed relative to the Mn(IV)-hydroxo analogue [Mn(IV)(OH)2(Me2EBC)](2+) (|D| = 0.75(0.25) cm(-1); E/D = 0.15(2)), although the complexes have similar (55)Mn values (a = 7.7 and 7.5 mT, respectively). The ZFS parameters for [Mn(IV)(OH)2(Me2EBC)](2+) were compared with values obtained previously through variable-temperature, variable-field magnetic circular dichroism (VTVH MCD) experiments. While the VTVH MCD analysis can provide a reasonable estimate of the magnitude of D, the E/D values were poorly defined. Using the ZFS parameters reported for these complexes and five other mononuclear Mn(IV) complexes, we employed coupled-perturbed density functional theory (CP-DFT) and complete active space self-consistent field (CASSCF) calculations with second-order n-electron valence-state perturbation theory (NEVPT2) correction, to compare the ability of these two quantum chemical methods for reproducing experimental ZFS parameters for Mn(IV) centers. The CP-DFT approach was found to provide reasonably acceptable values for D, whereas the CASSCF/NEVPT2 method fared worse, considerably overestimating the magnitude of D in several cases. Both methods were poor in

IV treatment at home

Science.gov (United States)

... Other IV treatments you may receive after you leave the hospital include: Treatment for hormone deficiencies Medicines for severe nausea that cancer chemotherapy or pregnancy may cause Patient-controlled analgesia (PCA) for pain (this is IV ...

Bowel perforation in type IV vascular Ehlers-Danlos syndrome. A systematic review.

Science.gov (United States)

El Masri, H; Loong, T-H; Meurette, G; Podevin, J; Zinzindohoue, F; Lehur, P-A

2018-05-01

Spontaneous gastrointestinal (GI) perforation is a well-known complication occurring in patients suffering from Type IV vascular Ehlers-Danlos syndrome (EDS IV). The aim of the present study was to review the current literature on spontaneous GI perforation in EDS IV and illustrate the surgical management and outcome when possible. A systematic review of all the published data on EDS IV patients with spontaneous GI perforation between January 2000 and December 2015 was conducted using three major databases PUBMED, EMBASE, and Cochrane Central Register of Controlled Trails. References of the selected articles were screened to avoid missing main articles. Twenty-seven published case reports and four retrospective studies, including 31 and 527 cases, respectively, matched the search criteria. A case from our institution was added. Mean age was 26 years (range 6-64 years). The most frequent site of perforation was the colon, particularly the sigmoid, followed by small bowel, upper rectum, and finally stomach. The majority of cases were initially managed with Hartmann's procedure. In recurrent perforations, total colectomy was performed. The reperforation rate was considerably higher in the "partial colectomy with anastomosis" group than in the Hartmann group. Colonic perforation is the most common spontaneous GI perforation in EDS IV patients. An unexpected fragility of the tissues should raise the possibility of a connective tissue disorder and prompt further investigation with eventual management of these high-risk patients with a multidisciplinary team approach in dedicated centres. In the emergency setting, a Hartmann procedure should be performed.

Lithium adsorption and migration in group IV-VI compounds and GeS/graphene heterostructures: a comparative study.

Science.gov (United States)

Hao, Kuan-Rong; Fang, Lincan; Yan, Qing-Bo; Su, Gang

2018-04-18

By means of first-principles calculations, the adsorption and transport properties of lithium (Li) in orthorhombic group IV-VI compounds MX (M = Ge, Sn; X = S, Se) and GeS/graphene heterostructures have been systematically investigated. Strong interactions and distinct charge transfer between Li and compounds MX are observed. The Li diffusion barriers along the zigzag direction are found to be much lower than that along the armchair direction in monolayer and bulk MX, showing distinct anisotropic diffusion features. In particular, monolayer GeS has a lowest barrier of 0.173 eV (zigzag) among them and it will transit from a semiconductor to a metallic state after Li intercalation, indicating fast Li and electron transport properties. As a comparison, the addition of graphene in a GeS/graphene heterostructure could enhance its binding with Li, decrease the Li diffusion barrier and inhibit the volume expansion dramatically, suggesting a potential performance improvement. Our study not only reveals the directional transport properties of Li in MX, but also improves the understanding of the role of graphene in the MX/graphene heterostructure, and shows great potential application in the field of electrode materials.

The use of a well-defined surface organometallic complex as a probe molecule: [(≡SiO)Ta^VCl₂Me₂] shows different isolated silanol sites on the silica surface

KAUST Repository

Chen, Yin; Zheng, Bin; Abou-Hamad, Edy; Hamieh, Ali Imad Ali; Hamzaoui, Bilel; Huang, Kuo-Wei; Basset, Jean-Marie

2014-01-01

TaVCl2Me3 reacts with silica(700) and produces two different [(≡SiO)TaVCl2Me2] surface organometallic species, suggesting a heterogeneity of the highly dehydroxylated silica surface, which was studied with a combined experimental and theoretical approach. This journal is © the Partner Organisations 2014.

A cerium(IV)-carbon multiple bond

Energy Technology Data Exchange (ETDEWEB)

Gregson, Matthew; Lu, Erli; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. [Nottingham Univ. (United Kingdom). School of Chemistry

2013-12-02

Straightforward access to a cerium(IV)-carbene complex was provided by one-electron oxidation of an anionic ''ate'' cerium(III)-carbene precursor, thereby avoiding decomposition reactions that plague oxidations of neutral cerium(III) compounds. The cerium(IV)-carbene complex is the first lanthanide(IV)-element multiple bond and involves a twofold bonding interaction of two electron pairs between cerium and carbon. [German] Auf direktem Wege zu einem Cer(IV)-Carbenkomplex gelangt man durch die Einelektronenoxidation einer anionischen Carben-Cerat(III)-Vorstufe. So werden Zersetzungsprozesse vermieden, die die Oxidation neutraler Cer(III)-Verbindungen erschweren. Der Cer(IV)-Carbenkomplex enthaelt die erste Lanthanoid(IV)-Element-Mehrfachbindung; dabei binden Cer und Kohlenstoff ueber zwei Elektronenpaare.

Use of the TAT in the assessment of DSM-IV cluster B personality disorders.

Science.gov (United States)

Ackerman, S J; Clemence, A J; Weatherill, R; Hilsenroth, M J

1999-12-01

The Social Cognition and Object Relations Scale (SCORS), developed by Western, Lohr, Silk, Kerber, and Goodrich (1985), is a diagnostic instrument used to assess an array of psychological functioning by using clinical narratives such as the Thematic Apperception Test (TAT; Murray, 1943) stories. This study investigated the utility of the SCORS to differentiate between Diagnostic and Statistical Manual of Mental Disorders (4th ed. [DSM-IV]; American Psychiatric Association, 1994) antisocial personality disorder (ANPD), borderline personality disorder (BPD), narcissistic personality disorder (NPD), and Cluster C personality disorder (CPD). A sample of 58 patients was separated into four groups: ANPD (n = 9), BPD (n = 21; 18 with a primary BPD diagnosis and 3 with prominent borderline traits who met 4 of the 5 DSM-IV criteria necessary for a BPD diagnosis), NPD (n = 16; 8 with a primary NPD diagnosis and 8 with prominent narcissistic traits who met 4 of the 5 DSM-IV criteria necessary for a NPD diagnosis), and CPD (n = 12). These groups were then compared on the 8 SCORS variables by using 5 TAT cards (1, 2, 3BM, 4, and 13MF). Spearman-Brown correction for 2-way mixed effects model of reliability for the 8 SCORS variables ranged from .70 to .95. The results of categorical and dimensional analyses indicate that (a) SCORS variables can be used to differentiate ANPD, BPD, and NPD; (b) the BPD group scored significantly lower (greater maladjustment) than did the CPD group on certain variables; (c) the BPD group scored significantly lower (greater maladjustment) than did the NPD group on all 8 SCORS variables; (d) the ANPD group scored significantly lower than did the NPD group on certain variables; (e) certain variables were found to be empirically related to the total number of DSM-IV ANPD, BPD, and NPD criteria; and (f) certain variables were found to be empirically related to Minnesota Multiphasic Personality Inventory-2 (MMPI-2; Butcher, Dahlstrom, Graham, Tellegen

Outerbridge Grade IV Cartilage Lesions in the Hip Identified at Arthroscopy.

Science.gov (United States)

Bhatia, Sanjeev; Nowak, Douglas D; Briggs, Karen K; Patterson, Diana C; Philippon, Marc J

2016-05-01

To determine factors associated with grade IV cartilage defects in the hip in patients undergoing hip arthroscopy with joint pain. Data from consecutive patients who underwent hip arthroscopy performed by a single surgeon over a period of 4 years were included in this study. The study group included 1,097 patients (491 women and 606 men; mean age, 37 years) who underwent hip arthroscopy for pain, had no prior hip surgery, and were aged 18 years or older. Preoperative radiographs, patient demographic characteristics, and operative details were used to identify risk factors for cartilage defects. Grade IV chondral defects were present in 308 of 1,097 hips (28%). Isolated chondral lesions were more frequently observed on the acetabulum (76%) than on the femoral head (24%). Defects of the acetabulum were more commonly anterosuperior (94.7%) and less commonly posterolateral (5.3%). Patients with less than 2 mm of joint space on preoperative radiographs were 8 times more likely to have a grade IV lesion than those with more than 2 mm. Men were more likely than women to have grade IV lesions (35% v 19%, P = .0001); patients with grade IV lesions were older than those without (42 years v 34 years, P = .0001). Hips with grade IV lesions had significantly higher alpha angles than those without (74° v 70°, P = .0001). Patients with grade IV defects reported a longer duration of symptoms than those without (37 months v 27 months, P = .007). Independent risk factors for the presence of grade IV chondral defects were less than 2 mm of joint space, male gender, increasing age, larger alpha angle, and longer duration of symptoms. Grade IV chondral defects in patients undergoing hip arthroscopy were associated with decreased joint space, increased time from symptom onset to arthroscopy, male gender, and larger alpha angles associated with femoroacetabular impingement. Level IV, prognostic case series. Copyright © 2016 Arthroscopy Association of North America. Published by

Chemistry of the Colloidal Group II-VI Nanocrystal Synthesis

International Nuclear Information System (INIS)

Liu, Haitao

2007-01-01

In the last two decades, the field of nanoscience and nanotechnology has witnessed tremendous advancement in the synthesis and application of group II-VI colloidal nanocrystals. The synthesis based on high temperature decomposition of organometallic precursors has become one of the most successful methods of making group II-VI colloidal nanocrystals. This method is first demonstrated by Bawendi and coworkers in 1993 to prepare cadmium chalcogenide colloidal quantum dots and later extended by others to prepare other group II-VI quantum dots as well as anisotropic shaped colloidal nanocrystals, such as nanorod and tetrapod. This dissertation focuses on the chemistry of this type of nanocrystal synthesis. The synthesis of group II-VI nanocrystals was studied by characterizing the molecular structures of the precursors and products and following their time evolution in the synthesis. Based on these results, a mechanism was proposed to account for the 2 reaction between the precursors that presumably produces monomer for the growth of nanocrystals. Theoretical study based on density functional theory calculations revealed the detailed free energy landscape of the precursor decomposition and monomer formation pathway. Based on the proposed reaction mechanism, a new synthetic method was designed that uses water as a novel reagent to control the diameter and the aspect ratio of CdSe and CdS nanorods

Adult presentation of Bartter syndrome type IV with erythrocytosis.

Science.gov (United States)

Heilberg, Ita Pfeferman; Tótoli, Cláudia; Calado, Joaquim Tomaz

2015-01-01

Bartter syndrome comprises a group of rare autosomal-recessive salt-losing disorders with distinct phenotypes, but one unifying pathophysiology consisting of severe reductions of sodium reabsorption caused by mutations in five genes expressed in the thick ascending limb of Henle, coupled with increased urinary excretion of potassium and hydrogen, which leads to hypokalemic alkalosis. Bartter syndrome type IV, caused by loss-of-function mutations in barttin, a subunit of chloride channel CLC-Kb expressed in the kidney and inner ear, usually occurs in the antenatal-neonatal period. We report an unusual case of late onset presentation of Bartter syndrome IV and mild phenotype in a 20 years-old man who had hypokalemia, deafness, secondary hyperparathyroidism and erythrocytosis.

Identification of novel dipeptidyl peptidase IV (DPP-IV) inhibitory peptides in camel milk protein hydrolysates.

Science.gov (United States)

Nongonierma, Alice B; Paolella, Sara; Mudgil, Priti; Maqsood, Sajid; FitzGerald, Richard J

2018-04-01

Nine novel dipeptidyl peptidase IV (DPP-IV) inhibitory peptides (FLQY, FQLGASPY, ILDKEGIDY, ILELA, LLQLEAIR, LPVP, LQALHQGQIV, MPVQA and SPVVPF) were identified in camel milk proteins hydrolysed with trypsin. This was achieved using a sequential approach combining liquid chromatography tandem mass spectrometry (LC-MS/MS), qualitative/quantitative structure activity relationship (QSAR) and confirmatory studies with synthetic peptides. The most potent camel milk protein-derived DPP-IV inhibitory peptides, LPVP and MPVQA, had DPP-IV half maximal inhibitory concentrations (IC 50 ) of 87.0 ± 3.2 and 93.3 ± 8.0 µM, respectively. DPP-IV inhibitory peptide sequences identified within camel and bovine milk protein hydrolysates generated under the same hydrolysis conditions differ. This was linked to differences in enzyme selectivity for peptide bond cleavage of camel and bovine milk proteins as well as dissimilarities in their amino acid sequences. Camel milk proteins contain novel DPP-IV inhibitory peptides which may play a role in the regulation of glycaemia in humans. Copyright © 2017 Elsevier Ltd. All rights reserved.

Practical routes to (SiH₃)₃P: applications in group IV semiconductor activation and in group III-V molecular synthesis.

Science.gov (United States)

Tice, Jesse B; Chizmeshya, A V G; Tolle, J; D' Costa, V R; Menendez, J; Kouvetakis, J

2010-05-21

The (SiH₃)₃P hydride is introduced as a practical source for n-doping of group IV semiconductors and as a highly-reactive delivery agent of -(SiH₃)₂P functionalities in exploratory synthesis. In contrast to earlier methods, the compound is produced here in high purity quantitative yields via a new single-step method based on reactions of SiH₃Br and (Me₃Sn)₃P, circumventing the need for toxic and unstable starting materials. As an initial demonstration of its utility we synthesized monosubstituted Me₂M-P(SiH₃)₂ (M = Al, Ga, In) derivatives of Me₃M containing the (SiH₃)₂P ligand for the first time, in analogy to the known Me₂M-P(SiMe₃)₂ counterparts. A dimeric structure of Me₂M-P(SiH₃)₂ is proposed on the basis of spectroscopic characterizations and quantum chemical simulations. Next, in the context of materials synthesis, the (SiH₃)₃P compound was used to dope germanium for the first time by building a prototype p(++)Si(100)/i-Ge/n-Ge photodiode structure. The resultant n-type Ge layers contained active carrier concentrations of 3-4 × 10¹⁹ atoms cm⁻³ as determined by spectroscopic ellipsometry and confirmed by SIMS. Strain analysis using high resolution XRD yielded a Si content of 4 × 10²⁰ atoms cm⁻³ in agreement with SIMS and within the range expected for incorporating Si₃P type units into the diamond cubic Ge matrix. Extensive characterizations for structure, morphology and crystallinity indicate that the Si co-dopant plays essentially a passive role and does not compromise the device quality of the host material nor does it fundamentally alter its optical properties.

Extreme IR absorption in group IV-SiGeSn core-shell nanowires

Science.gov (United States)

Attiaoui, Anis; Wirth, Stephan; Blanchard-Dionne, André-Pierre; Meunier, Michel; Hartmann, J. M.; Buca, Dan; Moutanabbir, Oussama

2018-06-01

Sn-containing Si and Ge (Ge1-y-xSixSny) alloys are an emerging family of semiconductors with the potential to impact group IV material-based devices. These semiconductors provide the ability to independently engineer both the lattice parameter and bandgap, which holds the premise to develop enhanced or novel photonic and electronic devices. With this perspective, we present detailed investigations of the influence of Ge1-y-xSixSny layers on the optical properties of Si and Ge based heterostructures and nanowires. We found that by adding a thin Ge1-y-xSixSny capping layer on Si or Ge greatly enhances light absorption especially in the near infrared range, leading to an increase in short-circuit current density. For the Ge1-y-xSixSny structure at thicknesses below 30 nm, a 14-fold increase in the short-circuit current is observed with respect to bare Si. This enhancement decreases by reducing the capping layer thickness. Conversely, decreasing the shell thickness was found to improve the short-circuit current in Si/Ge1-y-xSixSny and Ge/Ge1-y-xSixSny core/shell nanowires. The optical absorption becomes very important by increasing the Sn content. Moreover, by exploiting an optical antenna effect, these nanowires show extreme light absorption, reaching an enhancement factor, with respect to Si or Ge nanowires, on the order of 104 in Si/Ge0.84Si0.04Sn0.12 and 12 in Ge/Ge0.84Si0.04Sn0.12. Furthermore, we analyzed the optical response after the addition of a dielectric layer of Si3N4 to the Si/Ge1-y-xSixSny core-shell nanowire and found approximatively a 50% increase in the short-circuit current density for a dielectric layer of thickness equal to 45 nm and both a core radius and a shell thickness greater than 40 nm. The core-shell optical antenna benefits from a multiplication of enhancements contributed by leaky mode resonances in the semiconductor part and antireflection effects in the dielectric part.

Purification, crystallization and preliminary crystallographic analysis of a thermostable endonuclease IV from Thermotoga maritima

International Nuclear Information System (INIS)

Hughes, Ronny C.; Tomanicek, Stephen J.; Ng, Joseph D.; Coates, Leighton

2009-01-01

The overexpression, purification and crystallization of endonuclease IV from T. maritima are reported. The crystals belonged to the hexagonal space group P6 1 and diffracted to 2.36 Å resolution. The DNA-repair enzyme endonuclease IV from the thermophilic bacterium Thermotoga maritima MSB8 (reference sequence NC-000853) has been expressed in Escherichia coli and crystallized for X-ray analysis. T. maritima endonuclease IV is a 287-amino-acid protein with 32% sequence identity to E. coli endonuclease IV. The protein was purified to homogeneity and was crystallized using the sitting-drop vapor-diffusion method. The protein crystallized in space group P6 1 , with one biological molecule in the asymmetric unit, corresponding to a Matthews coefficient of 2.39 Å 3 Da −1 and 47% solvent content. The unit-cell parameters of the crystals were a = b = 123.2, c = 35.6 Å. Microseeding and further optimization yielded crystals with an X-ray diffraction limit of 2.36 Å. A single 70° data set was collected and processed, resulting in an overall R merge and a completeness of 9.5% and 99.3%, respectively

Complexes of uranium (IV) and thorium (IV) with α-picolinic acid, nicotinic acid, anthranilic acid and N-phenylanthranilic acid

International Nuclear Information System (INIS)

Singh, M.; Singh, R.

1979-01-01

Stable U(IV) and Th(IV) complexes with the title ligands have been synthesised from U(OAc) 4 , and Th(OAc) 4 . Magnetic susceptibilities, IR and reflectance spectra of U(IV) and IR spectra of Th(IV) complexes have been studied which indicate eight coordination for U(IV) in these chelates. (auth.)

Thorium(IV) and zirconium(IV) complexes of oxygen donor ligands. Pt. 12

International Nuclear Information System (INIS)

Agarwal, R.K.; Jain, P.C.; Kapur, V.; Sharma, S.; Srivastava, A.K.

1980-01-01

Crystalline thorium (IV) chelates with mono N-oxides of 2,2'-bipyridine (bipyNO) and 1,10-phenanthroline (phenNO), ThX 4 x 2L(X = Cl,Br,NO 3 or NCS) and ThX 4 x 3L(X = I or ClO 4 and L = bipyNO or phenNO) have been synthesised and characterized on the basis of i.r. spectra, molar conductance, molecular weights, t.g.a. and d.t.a. data. All the complexes are weakly diamagnetic and contain bipyNO and phenNO bonded to thorium(IV) through nitrogen and oxygen. The coordination number of thorium(IV) varies from six to twelve depending on the nature of the anions. (orig.) [de

Solubility of Tc(IV) oxides

International Nuclear Information System (INIS)

Liu, D.J.; Fan, X.H.

2005-01-01

Full text of publication follows: The deep geological disposal of the high level radioactive wastes is expected to be a safer disposal method in most countries. The long-lived fission product 99 Tc is present in large quantities in nuclear wastes and its chemical behavior in aqueous solution is of considerable interest. Under the reducing conditions, expected to exist in a deep geological repository, it is generally predicted that technetium will be present as TcO 2 .nH 2 O. The solubility of Tc(IV) is used as a source term in performance assessment of radioactive waste repository. Technetium oxide was prepared by reduction of a technetate solution with Sn 2+ . The solubility of Tc(IV) oxide has been determined in simulated groundwater and re-distilled water under aerobic and anaerobic conditions. The effects of pH and CO 3 2- concentration of solution on solubility of Tc(IV) oxide were studied. The concentration of total technetium and Tc(IV) species in the solutions were periodically determined by separating the oxidized and reduced technetium species using a solvent extraction procedure and counting the beta activity of the 99 Tc with a liquid scintillation counter. The experimental results show that the rate of oxidation of Tc(IV) in simulated groundwater and re-distilled water is about (1.49∼1.86) x 10 -9 mol/(L.d) under aerobic conditions, but Tc(IV) in simulated groundwater and re-distilled water is not oxidized under anaerobic conditions. Under aerobic or anaerobic conditions the solubility of Tc(IV) oxide in simulated groundwater and re-distilled water is equal on the whole after centrifugation or ultrafiltration. The solubility of Tc(IV) oxide decreases with the increase of pH at pH 10 and is pH independent in the range 2 -8 to 10 -9 mol/L at 2 3 2- concentration. These data could be used to estimate the Tc(IV) solubility for cases where solubility limits transport of technetium in reducing environments of high-level waste repositories. (authors)

Common molecular determinants of tarantula huwentoxin-IV inhibition of Na+ channel voltage sensors in domains II and IV.

Science.gov (United States)

Xiao, Yucheng; Jackson, James O; Liang, Songping; Cummins, Theodore R

2011-08-05

The voltage sensors of domains II and IV of sodium channels are important determinants of activation and inactivation, respectively. Animal toxins that alter electrophysiological excitability of muscles and neurons often modify sodium channel activation by selectively interacting with domain II and inactivation by selectively interacting with domain IV. This suggests that there may be substantial differences between the toxin-binding sites in these two important domains. Here we explore the ability of the tarantula huwentoxin-IV (HWTX-IV) to inhibit the activity of the domain II and IV voltage sensors. HWTX-IV is specific for domain II, and we identify five residues in the S1-S2 (Glu-753) and S3-S4 (Glu-811, Leu-814, Asp-816, and Glu-818) regions of domain II that are crucial for inhibition of activation by HWTX-IV. These data indicate that a single residue in the S3-S4 linker (Glu-818 in hNav1.7) is crucial for allowing HWTX-IV to interact with the other key residues and trap the voltage sensor in the closed configuration. Mutagenesis analysis indicates that the five corresponding residues in domain IV are all critical for endowing HWTX-IV with the ability to inhibit fast inactivation. Our data suggest that the toxin-binding motif in domain II is conserved in domain IV. Increasing our understanding of the molecular determinants of toxin interactions with voltage-gated sodium channels may permit development of enhanced isoform-specific voltage-gating modifiers.

Conception, characterization and evaluation of new radiotracers for diagnosis and treatment of breast and prostate cancers

International Nuclear Information System (INIS)

Dallagi, T.

2010-01-01

The medicinal and organometallic chemistry group of the Charles Friedel Laboratory has been developing therapeutic approaches based on organometallic compounds for many years. It has been found that these compounds may be used as cytotoxic agents or as radiopharmaceuticals for the treatment or diagnosis of diseases. The goal of the present work is the synthesis of organometallic analogs of biological substances (such as drugs) bearing a ferrocenyl, cymantrenyl, cerhetrenyl, or cyclo-pentadienyl-tricarbonyl-technetium group. We have especially focused our research on the preparation of Tc-99m derivatives and their purification. We have found suitable methods which are easy to handle and give high yields and high specific activities. These technetium compounds have been used for the study of in vivo biodistribution in animals. (author)

Development of novel strategy for the synthesis of organometallic compounds usable as protein ligands: application to the human cyclophilin hCyp-18

International Nuclear Information System (INIS)

Clavaud, C.

2006-02-01

This thesis describes a new strategy for the development of bioactive organometallic compounds, basing on the combinatorial assembly of sub-chemical libraries (A and B) independent but complementary and able to coordinate a metallic heart M to form A-M-B complex potential ligands of biomolecules. The coordination of metals, well adapted to the production of molecular variety is usually used in medicinal chemistry, in diagnostic and therapeutic nuclear medicine. Among the useful elements, the rhenium and the technetium are metals of choice for the development of the assembly strategy because of their chemical and radiochemical properties and of the structure analogy of their complexes. This strategy was validated in vitro. The protein chosen for this purpose was the cyclophilin hCyp-18. (N.C.)

Effect of shelf life on compressive strength of type iv gypsum

Science.gov (United States)

Kusumastuti, K. S.; Irawan, B.; Damiyanti, M.

2017-08-01

Type IV gypsum, as a dental material for an indirect restoration’s working model, should have strength and abrasive-resistant properties. These properties depend on the product’s shelf life and its proper storage, which sometimes are easily missed by sellers. The aim of this research was to observe the effect of shelf life on the compressive strength of type IV gypsum with different production dates. Twenty cylindrical specimens were separated into two groups with different production dates and tested with a universal testing with the crosshead speed of 1 mm per minute and a load of 2,500 kgf. The data were analyzed with independent t-tests. There was a significant difference (p<0.05) in the compressive strength between the two groups with an increase in compressive strength seen in the gypsum that was stored longer.

Biogenic non-crystalline U(IV) revealed as major component in uranium ore deposits

Science.gov (United States)

Bhattacharyya, Amrita; Campbell, Kate M.; Kelly, Shelly D.; Roebbert, Yvonne; Weyer, Stefan; Bernier-Latmani, Rizlan; Borch, Thomas

2017-06-01

Historically, it is believed that crystalline uraninite, produced via the abiotic reduction of hexavalent uranium (U(VI)) is the dominant reduced U species formed in low-temperature uranium roll-front ore deposits. Here we show that non-crystalline U(IV) generated through biologically mediated U(VI) reduction is the predominant U(IV) species in an undisturbed U roll-front ore deposit in Wyoming, USA. Characterization of U species revealed that the majority (~58-89%) of U is bound as U(IV) to C-containing organic functional groups or inorganic carbonate, while uraninite and U(VI) represent only minor components. The uranium deposit exhibited mostly 238U-enriched isotope signatures, consistent with largely biotic reduction of U(VI) to U(IV). This finding implies that biogenic processes are more important to uranium ore genesis than previously understood. The predominance of a relatively labile form of U(IV) also provides an opportunity for a more economical and environmentally benign mining process, as well as the design of more effective post-mining restoration strategies and human health-risk assessment.

On the stabilization of niobium(V) solutions by zirconium(IV) and hafnium(IV)

DEFF Research Database (Denmark)

Sørensen, E.; Bjerre, A.B.

1992-01-01

Niobium cannot be separated from zirconium or hafnium when these elements occur together in solution with common anions such as chloride and sulphate. This is ascribed to the co-polymerization of niobium(V) and the hydrolysed ionic species of zirconium(IV) and hafnium(IV) to form colloidal...

Neptunium (IV) oxalate solubility

International Nuclear Information System (INIS)

Luerkens, D.W.

1983-07-01

The equilibrium solubility of neptunium (IV) oxalate in nitric/oxalic acid solutions was determined at 22 0 C, 45 0 C, and 60 0 C. The concentrations of nitric/oxalic acid solutions represented a wide range of free oxalate ion concentration. A mathematical solubility model was developed which is based on the formation of the known complexes of neptunium (IV) oxalate. the solubility model uses a simplified concentration parameter which is proportional to the free oxalate ion concentration. The solubility model can be used to estimate the equilibrium solubility of neptunium (IV) oxalate over a wide range of oxalic and nitric acid concentrations at each temperature

Organic derivatives of tin (II/IV): Investigation of their structure

Energy Technology Data Exchange (ETDEWEB)

Szirtes, L., E-mail: szirtes@iki.kfki.h [Institute of Isotopes of the Hungarian Academy of Sciences, Budapest H-1525, P.O. Box 77 (Hungary); Megyeri, J., E-mail: megyeri@iki.kfki.h [Institute of Isotopes of the Hungarian Academy of Sciences, Budapest H-1525, P.O. Box 77 (Hungary); Kuzmann, E. [Laboratory of Nuclear Chemistry, CRC of the Hungarian Academy of Science at Eoetvoes University, H-1518 Budapest, P.O. Box 32 (Hungary); Beck, A. [Institute of Isotopes of the Hungarian Academy of Sciences, Budapest H-1525, P.O. Box 77 (Hungary)

2011-07-15

The structures of tin(II)-oxalate, tin(IV)Na-EDTA and tin(IV)Na{sub 8}-inositol hexaphosphate were investigated using XRD analysis. Samples were identified using the Moessbauer study, thermal analysis and FTIR spectrometry. The Moessbauer study determined two different oxidation states of tin atoms, and consequently two different tin surroundings in the end products. The tin oxalate was found to be orthorhombic with space group Pnma, a=9.2066(3) A, b=9.7590(1) A, c=13.1848(5) A, V=1184.62 A{sup 3} and Z=8. SnNa-EDTA was found to be monoclinic with space group P2{sub 1}/c{sub 1}, a=10.7544(3) A, b=10.1455(3) A, c=16.5130(6) A, {beta}=98.59(2){sup o}, V=1781.50(4) A{sup 3} and Z=4. Sn(C{sub 6}H{sub 6}Na{sub 8}O{sub 24}P{sub 6}) was found to be amorphous.

Evaluation of resting brain conditions measured by two different methods (i.v. and oral administration) with 18F-FDG-PET

International Nuclear Information System (INIS)

Masud, M.; Yamaguchi, Keiichiro; Rikimaru, Hisashi; Tashiro, Manabu; Ozaki, Kaoru; Watanuki, Shoichi; Miyake, Masayasu; Ido, Tatsuo; Itoh, Masatoshi

2001-01-01

Our aim was to evaluate regional differences between brain activity in two resting control conditions measured by 3D PET after administration of FDG through either the intravenous (i.v.) or the oral route. Ten healthy male volunteers engaged in the study as the i.v. group (mean age, 26±9.3 years, ±S.D.) who received FDG intravenously and another 10 volunteers as the oral group (mean age, 27.9±11.3 years, ±S.D.) who received FDG per os. A set of 3D-PET scans (emission and transmission scans) were performed in both groups. To explore possible functional differences between the brains of the two groups, the SPM-96 software was used for statistical analysis. The results revealed that glucose metabolism was significantly higher in the superior frontal gyrus, superior parietal lobule, lingual gyrus and left cerebellar hemisphere in the i.v. group than in the oral group. Metabolically active areas were found in the superior, middle and inferior temporal gyrus, parahippocampal gyrus, amygdaloid nucleus, pons and cerebellum in the oral group when compared with the i.v. group. These differences were presumably induced by differences between FDG kinetics and/or time-weighted behavioral effects in the two studies. This study suggests the need for extreme caution when selecting a pooled control population for designated activation studies. (author)

Enhanced Design Alternative IV

International Nuclear Information System (INIS)

Kramer, N.E.

1999-01-01

This report evaluates Enhanced Design Alternative (EDA) IV as part of the second phase of the License Application Design Selection (LADS) effort. The EDA IV concept was compared to the VA reference design using criteria from the Design Input Request for LADS Phase II EDA Evaluations (CRWMS M and O 1999b) and (CRWMS M and O 1999f). Briefly, the EDA IV concept arranges the waste packages close together in an emplacement configuration known as line load. Continuous pre-closure ventilation keeps the waste packages from exceeding their 350 C cladding and 200 C (4.3.6) drift wall temperature limits. This EDA concept keeps relatively high, uniform emplacement drift temperatures (post-closure) to drive water away from the repository and thus dry out the pillars between emplacement drifts. The waste package is shielded to permit human access to emplacement drifts and includes an integral filler inside the package to reduce the amount of water that can contact the waste form. Closure of the repository is desired 50 years after first waste is emplaced. Both backfill and drip shields will be emplaced at closure to improve post-closure performance. The EDA IV concept includes more defense-in-depth layers than the VA reference design because of its backfill, drip shield, waste package shielding, and integral filler features. These features contribute to the low dose-rate to the public achieved during the first 10,000 years of repository life as shown in Figure 3. Investigation of the EDA IV concept has led to the following general conclusions: (1) The total life cycle cost for EDA IV is about $21.7 billion which equates to a $11.3 billion net present value (both figures rounded up). (2) The incidence of design basis events for EDA IV is similar to the VA reference design. (3) The emplacement of the waste packages in drifts will be similar to the VA reference design. However, heavier equipment may be required because the shielded waste package will be heavier. (4) The heavier

Synthesis and characterization of thorium(IV) and uranium(IV) complexes with Schiff bases

Energy Technology Data Exchange (ETDEWEB)

Radoske, Thomas; Maerz, Juliane; Kaden, Peter; Patzschke, Michael; Ikeda-Ohno, Atsushi [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Chemistry of the F-Elements

2017-06-01

We report herein the synthesis and characterization of several imine complexes of tetravalent thorium (Th(IV)) and uranium (U(IV)). The ligands investigated in this study are a Schiff base type, including the well-known salen ligand (H{sub 2}Le, Fig. 1). The complexation in solution was investigated by NMR measurements indicating paramagnetic effects of unpaired f-electrons of U(IV) on the ligand molecule. We also determined the solid-state molecular structures of the synthesized complexes by single crystal X-ray diffraction. The synthesized complexes show an eight-fold coordination geometry around the actinide center surrounded by two tetradentate ligands with 2N- and 2O-donor atoms.

Indicators of suboptimal performance embedded in the Wechsler Memory Scale-Fourth Edition (WMS-IV).

Science.gov (United States)

Bouman, Zita; Hendriks, Marc P H; Schmand, Ben A; Kessels, Roy P C; Aldenkamp, Albert P

2016-01-01

Recognition and visual working memory tasks from the Wechsler Memory Scale-Fourth Edition (WMS-IV) have previously been documented as useful indicators for suboptimal performance. The present study examined the clinical utility of the Dutch version of the WMS-IV (WMS-IV-NL) for the identification of suboptimal performance using an analogue study design. The patient group consisted of 59 mixed-etiology patients; the experimental malingerers were 50 healthy individuals who were asked to simulate cognitive impairment as a result of a traumatic brain injury; the last group consisted of 50 healthy controls who were instructed to put forth full effort. Experimental malingerers performed significantly lower on all WMS-IV-NL tasks than did the patients and healthy controls. A binary logistic regression analysis was performed on the experimental malingerers and the patients. The first model contained the visual working memory subtests (Spatial Addition and Symbol Span) and the recognition tasks of the following subtests: Logical Memory, Verbal Paired Associates, Designs, Visual Reproduction. The results showed an overall classification rate of 78.4%, and only Spatial Addition explained a significant amount of variation (p < .001). Subsequent logistic regression analysis and receiver operating characteristic (ROC) analysis supported the discriminatory power of the subtest Spatial Addition. A scaled score cutoff of <4 produced 93% specificity and 52% sensitivity for detection of suboptimal performance. The WMS-IV-NL Spatial Addition subtest may provide clinically useful information for the detection of suboptimal performance.

Articular congruity is associated with short-term clinical outcomes of operatively treated SER IV ankle fractures.

Science.gov (United States)

Berkes, Marschall B; Little, Milton T M; Lazaro, Lionel E; Pardee, Nadine C; Schottel, Patrick C; Helfet, David L; Lorich, Dean G

2013-10-02

With regard to supination-external rotation type-IV (SER IV) ankle fractures, there is no consensus regarding which patient, injury, and treatment variables most strongly influence clinical outcome. The purpose of this investigation was to examine the impact of articular surface congruity on the functional outcomes of operatively treatment of SER IV ankle fractures. A prospectively generated database consisting of operatively treated SER IV ankle fractures was reviewed. Postoperative computed tomography (CT) scans were used to assess ankle joint congruity. Ankles were considered incongruent in the presence of >2 mm of articular step-off, intra-articular loose bodies, or an articular surface gap of >2 mm (despite an otherwise anatomic reduction) due to joint impaction and comminution. Patients with at least one year of clinical follow-up were eligible for analysis. The primary and secondary outcome measures were the Foot and Ankle Outcome Score (FAOS) and ankle motion. One hundred and eight SER IV fractures met our inclusion criteria. The average duration of follow-up was twenty-one months. Seventy-two patients (67%) had a congruent ankle joint, and thirty-six (33%) had elements of articular surface incongruity on postoperative CT scanning. These two groups were similar with regard to comorbidities and injury and treatment variables. At the time of the final follow-up, the group with articular incongruity had a significantly worse FAOS with regard to symptoms (p = 0.012), pain (p = 0.004), and activities of daily living (p = 0.038). Those with articular incongruity had worse average scores in the FAOS sport domain as well. No significant differences in ankle motion were found between the two groups. In this population of patients with an operatively treated SER IV ankle fracture, the presence of postoperative articular incongruity correlated with inferior early clinical outcomes. Orthopaedic surgeons should scrutinize ankle fracture reductions and strive for

Incidence and severity of stage IV bronchopulmonary dysplasia in infants of very low birth weight

International Nuclear Information System (INIS)

Parker, B.R.; Stevens, S.K.; Northway, W.H.

1989-01-01

To evaluate the incidence and severity of stage IV bronchopulmonary dysplasia (BPD) in infants of very low birth weight, the authors reviewed the clinical course and chest radiographs of 138 such infants. In the lowest weight group ( 1500 g, 10%). However, the severity of BPD (graded by the Toce-Edwards Scale) was highest (6.3) in the < 1500-g group (< 900 g, 5.4; 1200-1500 g, 5.9). These data showed that, although the incidence of stage IV BVD significantly decreased as birth weight increased, the severity of chronic changes was independent of birth weight

Iron selenide films by aerosol assisted chemical vapor deposition from single source organometallic precursor in the presence of surfactants

Energy Technology Data Exchange (ETDEWEB)

Hussain, Raja Azadar [Department of Chemistry, Quaid-i-Azam University, 45320 Islamabad (Pakistan); Badshah, Amin, E-mail: aminbadshah@yahoo.com [Department of Chemistry, Quaid-i-Azam University, 45320 Islamabad (Pakistan); Younis, Adnan [School of Materials Science and Engineering, University of New South Wales, Sydney 2052, NSW (Australia); Khan, Malik Dilshad [Department of Chemistry, Quaid-i-Azam University, 45320 Islamabad (Pakistan); Akhtar, Javeed [Department of Physics, COMSATS Institute of Information Technology, Park Road, Chak Shahzad, Islamabad (Pakistan)

2014-09-30

This article presents the synthesis and characterization (multinuclear nuclear magnetic resonance, Fourier transform infrared spectroscopy, carbon–hydrogen–nitrogen–sulfur analyzer, atomic absorption spectrometry and thermogravimetric analysis) of a single source organometallic precursor namely 1-acetyl-3-(4-ferrocenylphenyl)selenourea for the fabrication of iron selenide (FeSe) films on glass substrates using aerosol assisted chemical vapor deposition (AACVD). The changes in the morphologies of the films have been monitored by the use of two different surfactants i.e. triton X-100 and tetraoctylphosphonium bromide during AACVD. The role of surfactant has been evaluated by examining the interaction of the surfactants with the precursor by using UV–vis spectroscopy and cyclic voltammetry. The fabricated FeSe films have been characterized with powder X-ray diffraction, scanning electron microscopy and energy dispersive spectroscopy. - Highlights: • Ferrocene incorporated selenourea (FIS) has been synthesized and characterized. • FeSe thin films have been fabricated from FIS. • Mechanism of film growth was studied with cyclic voltammetry and UV–vis spectroscopy.

Barriers and attitudes towards hIV Voluntary counselling and Testing ...

African Journals Online (AJOL)

Official Publication of the Tanzania Medical Students' Association. 20. Barriers and attitudes towards hIV ... risk reduction in certain groups, behaviour change and reduced transmission2. Young people are the ... Of those who ever used VCT services 32.7% were just interested in knowing their HIV status and to get HIV ...

Organometallic photovoltaics: a new and versatile approach for harvesting solar energy using conjugated polymetallaynes.

Science.gov (United States)

Wong, Wai-Yeung; Ho, Cheuk-Lam

2010-09-21

Energy remains one of the world's great challenges. Growing concerns about limited fossil fuel resources and the accumulation of CO(2) in the atmosphere from burning those fuels have stimulated tremendous academic and industrial interest. Researchers are focusing both on developing inexpensive renewable energy resources and on improving the technologies for energy conversion. Solar energy has the capacity to meet increasing global energy needs. Harvesting energy directly from sunlight using photovoltaic technology significantly reduces atmospheric emissions, avoiding the detrimental effects of these gases on the environment. Currently inorganic semiconductors dominate the solar cell production market, but these materials require high technology production and expensive materials, making electricity produced in this manner too costly to compete with conventional sources of electricity. Researchers have successfully fabricated efficient organic-based polymer solar cells (PSCs) as a lower cost alternative. Recently, metalated conjugated polymers have shown exceptional promise as donor materials in bulk-heterojunction solar cells and are emerging as viable alternatives to the all-organic congeners currently in use. Among these metalated conjugated polymers, soluble platinum(II)-containing poly(arylene ethynylene)s of variable bandgaps (∼1.4-3.0 eV) represent attractive candidates for a cost-effective, lightweight solar-energy conversion platform. This Account highlights and discusses the recent advances of this research frontier in organometallic photovoltaics. The emerging use of low-bandgap soluble platinum-acetylide polymers in PSCs offers a new and versatile strategy to capture sunlight for efficient solar power generation. Properties of these polyplatinynes--including their chemical structures, absorption coefficients, bandgaps, charge mobilities, accessibility of triplet excitons, molecular weights, and blend film morphologies--critically influence the device

Astragaloside IV inhibits pathological functions of gastric cancer-associated fibroblasts.

Science.gov (United States)

Wang, Zhen-Fei; Ma, Da-Guang; Zhu, Zhe; Mu, Yong-Ping; Yang, Yong-Yan; Feng, Li; Yang, Hao; Liang, Jun-Qing; Liu, Yong-Yan; Liu, Li; Lu, Hai-Wen

2017-12-28

To investigate the inhibitory effect of astragaloside IV on the pathological functions of cancer-associated fibroblasts, and to explore the underlying mechanism. Paired gastric normal fibroblast (GNF) and gastric cancer-associated fibroblast (GCAF) cultures were established from resected tissues. GCAFs were treated with vehicle control or different concentrations of astragaloside IV. Conditioned media were prepared from GNFs, GCAFs, control-treated GCAFs, and astragaloside IV-treated GCAFs, and used to culture BGC-823 human gastric cancer cells. Proliferation, migration and invasion capacities of BGC-823 cells were determined by MTT, wound healing, and Transwell invasion assays, respectively. The action mechanism of astragaloside IV was investigated by detecting the expression of microRNAs and the expression and secretion of the oncogenic factor, macrophage colony-stimulating factor (M-CSF), and the tumor suppressive factor, tissue inhibitor of metalloproteinase 2 (TIMP2), in different groups of GCAFs. The expression of the oncogenic pluripotency factors SOX2 and NANOG in BGC-823 cells cultured with different conditioned media was also examined. GCAFs displayed higher capacities to induce BGC-823 cell proliferation, migration, and invasion than GNFs ( P GNFs, GCAFs expressed a lower level of microRNA-214 ( P < 0.01) and a higher level of microRNA-301a ( P < 0.01). Astragaloside IV treatment significantly up-regulated microRNA-214 expression ( P < 0.01) and down-regulated microRNA-301a expression ( P < 0.01) in GCAFs. Reestablishing the microRNA expression balance subsequently suppressed M-CSF production ( P < 0.01) and secretion ( P < 0.05), and elevated TIMP2 production ( P < 0.01) and secretion ( P < 0.05). Consequently, the ability of GCAFs to increase SOX2 and NANOG expression in BGC-823 cells was abolished by astragaloside IV. Astragaloside IV can inhibit the pathological functions of GCAFs by correcting their dysregulation of microRNA expression, and it is

The kinetics of the cerium(IV)-uranium(IV) reaction at low sulfate concentrations

International Nuclear Information System (INIS)

Michaille, P.; Kikindai, T.

1977-01-01

The rate of oxidation of uranium(IV) by cerium(IV) was measured with a stopped-flow spectrophotometer at sulfuric acid concentrations of 2 x 10 -6 to 0.5 M. At a constant hydrogen ion concentration of 0.5 M, the maximum rate constant was observed for 2 x 10 -3 M sulfuric acid; at that concentration, two sulfate ions were involved in the activated complex. The dependence of the rate constant on the hydrogen ion concentration showed that the reaction paths involving one or two sulfate ions also involved one hydroxyl ion, whereas one hydrogen ion was involved in the five sulfate dependent path. Spectrophotometric measurements supported the existence of a hydrolyzed monosulfatocomplex of cerium(IV). (author)

Diorganotin(IV) Complexes with Methionine Methyl Ester. Equilibria ...

African Journals Online (AJOL)

IV) (DBT) and diphenyltin(IV) (DPT) was investigated at 25 °C and 0.1 mol dm–3 ionic strength in water for dimethyltin(IV) and in 50 % dioxane–water mixture for dibutyltin(IV) and diphenyltin(IV). Methionine methyl ester forms1:1 and 1:2 ...

Adsorption of Th(IV) and Pu(IV) on the surface of Pseudomonas fluorescens and Bacillus subtilis in the presence of desferrioxamine siderophore

International Nuclear Information System (INIS)

Yoshida, Takahiro; Ozaki, Takuo; Ohnuki, Toshihiko; Francis, Arokiasamy J.

2005-01-01

Adsorption of Th(IV) and Pu(IV) on a Gram-negative bacterium Pseudomonas fluorescens and a Gram-positive bacterium Bacillus subtilis in the presence of siderophore desferrioxamine B (DFO) was studied. Thorium(IV) and Pu(IV) were dissociated from DFO during adsorption on the cells. Thorium(IV) adsorption on bacterial cells in the presence of DFO was larger than that of Pu(IV) because of the smaller stability of the Th(IV)-DFO complex than that of the Pu(IV)-DFO complex. On the other hand, adsorption of Pu(IV) was larger than that of Fe(III), wherein the stability of the Pu(IV)- and Fe(III)-DFO complex is comparable. P. fluorescens showed a higher affinity for Th(IV) and Pu(IV) than B. subtilis, though potentiometric titration of bacterial cells indicated that surfaces of P. fluorescens and B. subtilis cells showed similar proton binding properties. (author)

A combined XAFS, ESI TOF-MS and LIBD study on the formation of polynuclear Zr(IV), Th(IV) and Pu(IV) species

Science.gov (United States)

Rothe, J.; Walther, C.; Brendebach, B.; Büchner, S.; Fuss, M.; Denecke, M. A.; Geckeis, H.

2009-11-01

The long term radiotoxicity of spent nuclear fuel disposed of in deep underground repositories after discharge from nuclear power reactors is determined by actinide elements, mainly plutonium. Water intrusion into the repository might cause container corrosion and leaching of the waste matrices, leading to the release of Pu and other actinides into the geological environment. Performance assessment for a future nuclear waste repository requires detailed knowledge on actinide aqueous chemistry in the aquifer surrounding the disposal site. Tetravalent actinides exhibit a strong tendency towards hydrolysis and subsequent polymerization and/or colloid formation. These species provide a potential pathway for migration of actinides away from the repository. Therefore, it is of fundamental interest to study their generation and properties in-situ. To this end, X-ray Absorption Fine Structure Spectroscopy (XAFS) at the INE-Beamline for actinide research at ANKA, Electrospray Mass-Spectrometry (ESI TOF-MS) and Laser Induced Breakdown Detection (LIBD) are combined at FZK-INE in a comprehensive attempt to characterize Zr(IV) (An(IV) analogue), Th(IV) and Pu(IV) polymerization and colloid formation.

Evaluation of resting brain conditions measured by two different methods (i.v. and oral administration) with {sup 18}F-FDG-PET

Energy Technology Data Exchange (ETDEWEB)

Masud, M.; Yamaguchi, Keiichiro; Rikimaru, Hisashi; Tashiro, Manabu; Ozaki, Kaoru; Watanuki, Shoichi; Miyake, Masayasu; Ido, Tatsuo; Itoh, Masatoshi [Tohoku Univ., Sendai (Japan). Cyclotron and Radioisotope Center

2001-02-01

Our aim was to evaluate regional differences between brain activity in two resting control conditions measured by 3D PET after administration of FDG through either the intravenous (i.v.) or the oral route. Ten healthy male volunteers engaged in the study as the i.v. group (mean age, 26{+-}9.3 years, {+-}S.D.) who received FDG intravenously and another 10 volunteers as the oral group (mean age, 27.9{+-}11.3 years, {+-}S.D.) who received FDG per os. A set of 3D-PET scans (emission and transmission scans) were performed in both groups. To explore possible functional differences between the brains of the two groups, the SPM-96 software was used for statistical analysis. The results revealed that glucose metabolism was significantly higher in the superior frontal gyrus, superior parietal lobule, lingual gyrus and left cerebellar hemisphere in the i.v. group than in the oral group. Metabolically active areas were found in the superior, middle and inferior temporal gyrus, parahippocampal gyrus, amygdaloid nucleus, pons and cerebellum in the oral group when compared with the i.v. group. These differences were presumably induced by differences between FDG kinetics and/or time-weighted behavioral effects in the two studies. This study suggests the need for extreme caution when selecting a pooled control population for designated activation studies. (author)

Shatavarins (containing Shatavarin IV) with anticancer activity from the roots of Asparagus racemosus

Science.gov (United States)

Mitra, Shankar K.; Prakash, Neswi S.; Sundaram, Ramachandran

2012-01-01

Objectives: The anticancer activity of shatavarins (containing shatavarin IV) isolated from the roots of Asparagus racemosus (Wild) was evaluated using in vitro and in vivo experimental models. Material and Methods: The shatavarin IV was isolated from ethyl acetate insoluble fraction (AR-2B) of chloroform:methanol (2:1) (AR-2) extract of A. racemosus roots. The cytotoxicity (in vitro) of shatavarin IV and other shatavarins rich fraction was carried out using of MTT assay using MCF-7 (human breast cancer), HT-29 (human colon adenocarcinoma), and A-498 (human kidney carcinoma) cell lines. The in vivo anticancer activity of shatavarins (containing shatavarin IV) was evaluated against Ehrlich ascites carcinoma (EAC) tumor bearing mice. Results: The isolated shatavarin IV (84.69 %) along with shatavarins rich fraction, coded AR-2B containing 5.05% shatavarin IV showed potent cytotoxicity. Oral administration of AR-2B to tumor bearing mice at doses of 250 and 500 mg/kg body weight for 10 days, showed significant reduction in percent increase in body weight, tumor volume, packed cell volume, viable tumor cell count, and increased non-viable cell count when compared to the untreated mice of the EAC control group. The restoration of hematological parameters towards normalcy was also observed. Conclusion: The result suggests that the shatavarins (containing shatavarin IV) rich fraction (AR-2B) exhibits significant anticancer activity in both in vitro and in vivo experimental models. PMID:23248403

Generation IV national program

International Nuclear Information System (INIS)

Preville, M.; Sadhankar, R.; Brady, D.

2007-01-01

This paper outlines the Generation IV National Program. This program involves evolutionary and innovative design with significantly higher efficiencies (∼50% compared to present ∼30%) - sustainable, economical, safe, reliable and proliferation resistant - for future energy security. The Generation IV Forum (GIF) effectively leverages the resources of the participants to meet these goals. Ten countries signed the GIF Charter in 2001

(2-Hydroxybenzoato-κOtriphenyl(triphenylphosphine oxide-κOtin(IV

Directory of Open Access Journals (Sweden)

Dame Seye

2016-11-01

Full Text Available The title compound, [Sn{C6H4(OHCOO}(C6H53{OP(C6H53}], is comprised of discrete molecules with the SnIV atom in a trigonal–bipyramidal coordination environment. The carboxylate O atom of the salicylate anion and the O atom of the triphenylphosphine oxide moiety are in the axial positions and the three ipso C atoms occupy the equatorial positions. An intramolecular O—H...O hydrogen bond is present in the anion between the hydroxy group and the carbonyl atom O of the carboxylate group.

Identification of novel human dipeptidyl peptidase-IV inhibitors of natural origin (Part II: in silico prediction in antidiabetic extracts.

Directory of Open Access Journals (Sweden)

Laura Guasch

Full Text Available BACKGROUND: Natural extracts play an important role in traditional medicines for the treatment of diabetes mellitus and are also an essential resource for new drug discovery. Dipeptidyl peptidase IV (DPP-IV inhibitors are potential candidates for the treatment of type 2 diabetes mellitus, and the effectiveness of certain antidiabetic extracts of natural origin could be, at least partially, explained by the inhibition of DPP-IV. METHODOLOGY/PRINCIPAL FINDINGS: Using an initial set of 29,779 natural products that are annotated with their natural source and an experimentally validated virtual screening procedure previously developed in our lab (Guasch et al.; 2012 [1], we have predicted 12 potential DPP-IV inhibitors from 12 different plant extracts that are known to have antidiabetic activity. Seven of these molecules are identical or similar to molecules with described antidiabetic activity (although their role as DPP-IV inhibitors has not been suggested as an explanation for their bioactivity. Therefore, it is plausible that these 12 molecules could be responsible, at least in part, for the antidiabetic activity of these extracts through their inhibitory effect on DPP-IV. In addition, we also identified as potential DPP-IV inhibitors 6 molecules from 6 different plants with no described antidiabetic activity but that share the same genus as plants with known antidiabetic properties. Moreover, none of the 18 molecules that we predicted as DPP-IV inhibitors exhibits chemical similarity with a group of 2,342 known DPP-IV inhibitors. CONCLUSIONS/SIGNIFICANCE: Our study identified 18 potential DPP-IV inhibitors in 18 different plant extracts (12 of these plants have known antidiabetic properties, whereas, for the remaining 6, antidiabetic activity has been reported for other plant species from the same genus. Moreover, none of the 18 molecules exhibits chemical similarity with a large group of known DPP-IV inhibitors.

Crystal structures of lazulite-type oxidephosphates TiIIITiIV3O3(PO4)3 and MIII4TiIV27O24(PO4)24 (MIII=Ti, Cr, Fe)

International Nuclear Information System (INIS)

Schoeneborn, M.; Glaum, R.; Reinauer, F.

2008-01-01

Single crystals of the oxidephosphates Ti III Ti IV 3 O 3 (PO 4 ) 3 (black), Cr III 4 Ti IV 27 O 24 (PO 4 ) 24 (red-brown, transparent), and Fe III 4 Ti IV 27 O 24 (PO 4 ) 24 (brown) with edge-lengths up to 0.3 mm were grown by chemical vapour transport. The crystal structures of these orthorhombic members (space group F2dd ) of the lazulite/lipscombite structure family were refined from single-crystal data [Ti III Ti IV 3 O 3 (PO 4 ) 3 : Z=24, a=7.3261(9) A, b=22.166(5) A, c=39.239(8) A, R 1 =0.029, wR 2 =0.084, 6055 independent reflections, 301 variables; Cr III 4 Ti IV 27 O 24 (PO 4 ) 24 : Z=1, a=7.419(3) A, b=21.640(5) A, c=13.057(4) A, R 1 =0.037, wR 2 =0.097, 1524 independent reflections, 111 variables; Fe III 4 Ti IV 27 O 24 (PO 4 ) 24 : Z=1, a=7.4001(9) A, b=21.7503(2) A, c=12.775(3) A, R 1 =0.049, wR 2 =0.140, 1240 independent reflections, 112 variables). For Ti III Ti IV O 3 (PO 4 ) 3 a well-ordered structure built from dimers [Ti III,IV 2 O 9 ] and [Ti IV,IV 2 O 9 ] and phosphate tetrahedra is found. The metal sites in the crystal structures of Cr 4 Ti 27 O 24 (PO 4 ) 24 and Fe 4 Ti 27 O 24 (PO 4 ) 24 , consisting of dimers [M III Ti IV O 9 ] and [Ti IV,IV 2 O 9 ], monomeric [Ti IV O 6 ] octahedra, and phosphate tetrahedra, are heavily disordered. Site disorder, leading to partial occupancy of all octahedral voids of the parent lipscombite/lazulite structure, as well as splitting of the metal positions is observed. According to Guinier photographs Ti III 4 Ti IV 27 O 24 (PO 4 ) 24 (a=7.418(2) A, b=21.933(6) A, c=12.948(7) A) is isotypic to the oxidephosphates M III 4 Ti IV 27 O 24 (PO 4 ) 24 (M III : Cr, Fe). The UV/vis spectrum of Cr 4 Ti 27 O 24 (PO 4 ) 24 reveals a rather small ligand-field splitting Δ o =14,370 cm -1 and a very low nephelauxetic ratio β=0.72 for the chromophores [Cr III O 6 ] within the dimers [Cr III Ti IV O 9 ]. - Graphical abstract: Single crystals of the oxidephosphates Ti III Ti IV 3 O 3 (PO 4 ) 3 (black), Cr III 4 Ti IV 27 O

RF plasma deposition of thin SixGeyCz:H films using a combination of organometallic source materials

International Nuclear Information System (INIS)

Rapiejko, C.; Gazicki-Lipman, M.; Klimek, L.; Szymanowski, H.; Strojek, M.

2004-01-01

Elements of the IV group of periodic table have been strongly present in the fast development of PECVD techniques for the last two decades at least. As a result, deposition technologies of such materials as a-Si:H, a-C:H, mμ-C:H or DLC have been successfully established. What has followed is an ever growing interest in binary systems of the A x (IV)B y (IV):H kind. One possible way to deposit such systems is to use organosilicon compounds (to deposit Si x C y :H films) or organogermanium compounds (to deposit Ge x C y :H films), as source substances. The present paper reports on a RF plasma deposition of a Si x Ge y C z :H ternary system, using a combination of organosilicon and organogermanium compounds. Thin Si/Ge/C films have been fabricated in a small volume (ca. 2 dm 3 ) parallel plate RF plasma reactor using, as a source material, a combination of tetramethylsilane (TMS) and tetramethylgermanium (TMG) vapours carried by argon. SEM investigations reveal a continuous compact character of the coatings and their uniform thickness. The elemental composition of the films has been studied using EDX analysis. The results of the analysis show that the elemental composition of the films can be controlled by both the TMG/TMS ratio of the initial mixture and the RF power input. Ellipsometric measurements show good homogeneity of these materials. Chemical bonding in the films has been studied using the FTIR technique. Bandgap calculations have been carried out using ellipsometric data and by applying both the Tauc law and the Moss approach

Solubility studies of Np(IV)

International Nuclear Information System (INIS)

Zhang Yingjie; Yao Jun; Jiao Haiyang; Ren Lihong; Zhou Duo; Fan Xianhua

2001-01-01

The solubility of Np(IV) in simulated underground water and redistilled water has been measured with the variations of pH(6-12) and storage time (0-100 d) in the presence of reductant (Na 2 S 2 O 4 , metallic Fe). All experiments are performed in a low oxygen concentration glove box containing high purity Ar(99.99%), with an oxygen content of less than 5 x 10 -6 mol/mol. Experimental results show that the variation of pH in solution has little effect on the solubility of Np(IV) in the two kinds of water; the measured solubility of Np(IV) is affected by the composition of solution; with Na 2 S 2 O 4 as a reductant, the solubility of Np(IV) in simulated underground water is (9.23 +- 0.48) x 10 -10 mol/L, and that in redistilled water is (8.31 +- 0.35) x 10 -10 mol/L; with metallic Fe as a reductant, the solubility of Np(IV) in simulated underground water is (1.85 +- 0.56) x 10 -9 mol/L, and that in redistilled water is (1.48 +- 0.66) x 10 -9 mol/L

Hepatic Artery Resection for Bismuth Type III and IV Hilar Cholangiocarcinoma: Is Reconstruction Always Required?

Science.gov (United States)

Hu, Hai-Jie; Jin, Yan-Wen; Zhou, Rong-Xing; Shrestha, Anuj; Ma, Wen-Jie; Yang, Qin; Wang, Jun-Ke; Liu, Fei; Cheng, Nan-Sheng; Li, Fu-Yu

2018-03-06

The objective of the study is to examine the feasibility of hepatic artery resection (HAR) without subsequent reconstruction (RCS) in specified patients of Bismuth type III and IV hilar cholangiocarcinoma. We retrospectively reviewed 63 patients who underwent hepatic artery resection for Bismuth type III and IV hilar cholangiocarcinoma. These patients were subsequently enrolled into two groups based on whether the artery reconstruction was conducted. Postoperative morbidity and mortality, and long-term survival outcome were compared between the two groups. There were 29 patients in HAR group and 34 patients in the HAR + RCS group. Patients with hepatic artery reconstruction tended to have longer operative time (545.6 ± 143.1 min vs. 656.3 ± 192.8 min; P = 0.013) and smaller tumor size (3.0 ± 1.1 cm vs. 2.5 ± 0.9 cm; P = 0.036). The R0 resection margin was comparable between the HAR group and HAR + RCS group (86.2 vs. 85.3%; P > 0.05). Twelve patients (41.4%) with 24 complications in HAR group and 13 patients (38.2%) with 25 complications in HAR + RCS group were recorded (P = 0.799). The postoperative hepatic failure rate (13.8 vs. 5.9%) and postoperative mortality rate (3.4% vs. 2.9%) were also comparable between the two groups. In the HAR group, the overall 1-, 3-, and 5-year survival rates were 72, 41, and 19%, respectively; while in the HAR + RCS group, the overall 1-, 3-, and 5-year survival rates were 79, 45, and 25%, respectively (P = 0.928). Hepatic artery resection without reconstruction is also a safe and feasible surgical procedure for highly selected cases of Bismuth type III and IV hilar cholangiocarcinoma.

A Clostridium Group IV Species Dominates and Suppresses a Mixed Culture Fermentation by Tolerance to Medium Chain Fatty Acids Products

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Andersen, Stephen J.; De Groof, Vicky; Khor, Way Cern; Roume, Hugo; Props, Ruben; Coma, Marta; Rabaey, Korneel

2017-01-01

A microbial community is engaged in a complex economy of cooperation and competition for carbon and energy. In engineered systems such as anaerobic digestion and fermentation, these relationships are exploited for conversion of a broad range of substrates into products, such as biogas, ethanol, and carboxylic acids. Medium chain fatty acids (MCFAs), for example, hexanoic acid, are valuable, energy dense microbial fermentation products, however, MCFA tend to exhibit microbial toxicity to a broad range of microorganisms at low concentrations. Here, we operated continuous mixed population MCFA fermentations on biorefinery thin stillage to investigate the community response associated with the production and toxicity of MCFA. In this study, an uncultured species from the Clostridium group IV (related to Clostridium sp. BS-1) became enriched in two independent reactors that produced hexanoic acid (up to 8.1 g L−1), octanoic acid (up to 3.2 g L−1), and trace concentrations of decanoic acid. Decanoic acid is reported here for the first time as a possible product of a Clostridium group IV species. Other significant species in the community, Lactobacillus spp. and Acetobacterium sp., generate intermediates in MCFA production, and their collapse in relative abundance resulted in an overall production decrease. A strong correlation was present between the community composition and both the hexanoic acid concentration (p = 0.026) and total volatile fatty acid concentration (p = 0.003). MCFA suppressed species related to Clostridium sp. CPB-6 and Lactobacillus spp. to a greater extent than others. The proportion of the species related to Clostridium sp. BS-1 over Clostridium sp. CPB-6 had a strong correlation with the concentration of octanoic acid (p = 0.003). The dominance of this species and the increase in MCFA resulted in an overall toxic effect on the mixed community, most significantly on the Lactobacillus spp., which resulted in a decrease in total

Materials for generation-IV nuclear reactors

International Nuclear Information System (INIS)

Alvarez, M. G.

2009-01-01

Materials science and materials development are key issues for the implementation of innovative reactor systems such as those defined in the framework of the Generation IV. Six systems have been selected for Generation IV consideration: gas-cooled fast reactor, lead-cooled fast reactor, molten salt-cooled reactor, sodium-cooled fast reactor, supercritical water-cooled reactor, and very high temperature reactor. The structural materials need to resist much higher temperatures, higher neutron doses and extremely corrosive environment, which are beyond the experience of the current nuclear power plants. For this reason, the first consideration in the development of Generation-IV concepts is selection and deployment of materials that operate successfully in the aggressive operating environments expected in the Gen-IV concepts. This paper summarizes the Gen-IV operating environments and describes the various candidate materials under consideration for use in different structural applications. (author)

Adduct formation in Ce(IV) thenolytrifluoroacetonate

International Nuclear Information System (INIS)

Anufrieva, S.I.; Polyakova, G.V.; Snezhko, N.I.; Pechurova, N.I.; Martynenko, L.I.; Spitsyn, V.I.

1982-01-01

The literature contains no information on adduct formation in Ce(IV) β-diketonates with additional ligands. Since tetrakis-β-diketonates of Ce(IV) have four six-membered chelate rings, we can suppose that the introduction of an additional monodentate or bidentate ligand into the coordination sphere of Ce(IV) β-diketonates would lead to an increase in the coordination number (CN) of the Ce(IV) to nine or ten. The possibility of realization of such a high CN for Ce(IV) has not been proved; a study of adduct formation by Ce(IV) tetrakis-β-diketonates is thus of theoretical interest. Such an investigation might also be of practical interest, because the introduction of an additional ligand into the coordination sphere of a rare-earth β-diketonate usually increases the solubility of the β-diketonate in nonpolar solvents and increases the volatility of the compound; such a modification of the properties is important for various practical purposes. The aim of our work was to study the possibility of separating solid adducts of Ce(IV) tetrakis-thenoyltrifluoroacetonate with certain oxygen-containing and nitrogen-containing donor monodentate and bidentate ligands, and also to investigate their properties. As the β-diketone we used thenoyltrifluoroacetone (HTTFA), since in a parallel investigation it was found that Ce(TTFA) 4 has a high oxidation-reduction stability

Genetics Home Reference: glycogen storage disease type IV

Science.gov (United States)

... Home Health Conditions Glycogen storage disease type IV Glycogen storage disease type IV Printable PDF Open All ... Javascript to view the expand/collapse boxes. Description Glycogen storage disease type IV (GSD IV) is an ...

Salen- Zr(IV) complex grafted into amine-tagged MIL-101(Cr) as a robust multifunctional catalyst for biodiesel production and organic transformation reactions

Science.gov (United States)

Hassan, Hassan M. A.; Betiha, Mohamed A.; Mohamed, Shaimaa K.; El-Sharkawy, E. A.; Ahmed, Emad A.

2017-08-01

The synthesis of metal-organic frameworks (MOFs), porous coordination polymers with functional groups has received immense interest due to the functional groups can offer desirable properties and allow post-synthetic modification. Herein, for the first time, Zr(IV)-Sal Schiff base complex incorporated into amino-functionalized MIL-101(Cr) framework by salicylaldehyde condensing to amino group, and coordinating Zr(IV) ion have been successfully synthesized. The worthiness of the synthesized material as a catalyst has been examined for the esterification of oleic acid (free fatty acid) with methanol producing biodiesel (methyl oleate), Knoveonagel condensation reaction of aldehydes and Friedel-Crafts acylation of anisole. Our findings demonstrated that Salen-Zr(IV) grafted to framework of NH2-MIL-101(Cr) as a solid acid catalyst exhibited distinct catalytic performance for the production of biodiesel by esterification of oleic acid with methanol, Knoveonagel condensation and Friedel-Crafts acylation. These could be attributed to high surface area which allow high distribution of Zr(IV) species lead to a sufficient contact with the reactants species. Furthermore, the catalyst showed excellent recycling efficiency due to the strong interaction between the Zr(IV) ions and chelating groups in the NH2-MIL-101(Cr)-Sal.

Recent Advances with the AMPX Covariance Processing Capabilities in PUFF-IV

International Nuclear Information System (INIS)

Wiarda, Dorothea; Arbanas, Goran; Leal, Luiz C.; Dunn, Michael E.

2008-01-01

The program PUFF-IV is used to process resonance parameter covariance information given in ENDF/B File 32 and point-wise covariance matrices given in ENDF/B File 33 into group-averaged covariances matrices on a user-supplied group structure. For large resonance covariance matrices, found for example in 235U, the execution time of PUFF-IV can be quite long. Recently the code was modified to take advandage of Basic Linear Algebra Subprograms (BLAS) routines for the most time-consuming matrix multiplications. This led to a substantial decrease in execution time. This faster processing capability allowed us to investigate the conversion of File 32 data into File 33 data using a larger number of user-defined groups. While conversion substantially reduces the ENDF/B file size requirements for evaluations with a large number of resonances, a trade-off is made between the number of groups used to represent the resonance parameter covariance as a point-wise covariance matrix and the file size. We are also investigating a hybrid version of the conversion, in which the low-energy part of the File 32 resonance parameter covariances matrix is retained and the correlations with higher energies as well as the high energy part are given in File 33.

Extending the Use of Highly Porous and Functionalized MOFs to Th(IV) Capture.

Science.gov (United States)

Zhang, Nan; Yuan, Li-Yong; Guo, Wen-Lu; Luo, Shi-Zhong; Chai, Zhi-Fang; Shi, Wei-Qun

2017-08-02

Thorium separation has recently become a hot topic because of the potential application of thorium as a future nuclear fuel, while metal-organic framework (MOF) materials have received much attention in the separation field due to their unique properties. Herein, a highly porous and stable MOF, UiO-66, and its carboxyl derivatives (UiO-66-COOH and UiO-66-(COOH) 2 ) were synthesized and explored for the first time for Th(IV) capture from a weak acidic solution. Although the introduction of carboxyl groups into UiO-66 leads to an obvious decrease in the surface area and pore volume, the adsorbability toward Th(IV) is greatly enhanced. At pH = 3.0, the saturated sorption capacity for Th(IV) into UiO-66-(COOH) 2 reached 350 mg/g, representing one of the largest values for Th(IV) capture by solid extraction. Moreover, the functionalized MOFs show fast sorption kinetics and desirable selectivity toward Th(IV) over a range of competing metal ions. A possible mechanism for the selective recognition of Th(IV) by these MOFs was explored on the basis of extended X-ray absorption fine structure and Fourier transform infrared analysis. It is concluded that UiO-66-COOH and UiO-66-(COOH) 2 sorb Th(IV) through the coordination of carboxyl anions in the pores of the MOFs, whereas in the case of UiO-66, both the precipitation and the exchange with the organic solvent contribute to the Th(IV) uptake. This study contributes to the assessment of the feasibility of MOFs applied in actinides separation and better understanding of actinides sorption behavior in this kind of hybrid porous solid materials.

Separation of uranium(V I) from binary solution mixtures with thorium(IV), zirconium(IV) and cerium(III) by foaming

International Nuclear Information System (INIS)

Shakir, K.; Aziz, M.; Benyamin, K.

1992-01-01

Foam separation has been investigated for the removal of uranium(V I), thorium(IV), zirconium(IV) and cerium(III) from dilute aqueous solutions at pH values ranging from about I to about II. Sodium laurel sulphate (Na L S) and acetyl trimethyl ammonium bromide (CTAB), being a strong anionic and a strong cationic surfactants, were used as collectors. The results indicate that Na L S can efficiently remove thorium(IV), zirconium(IV) and cerium(III) but not uranium(V I). CTAB, on the other hand, can successfully float only uranium(V I) and zirconium(IV). These differences in flotation properties of the different cations could be used to establish methods for the separation of uranium(V I) from binary mixtures with thorium(IV), zirconium(IV) or cerium(III). The results are discussed in terms of the hydrolytic behaviour of the tested cations and properties of used collectors.2 fig., 1 tab

(N-Benzyl-N-isopropyldithiocarbamatochloridodiphenyltin(IV

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Amirah Faizah Abdul Muthalib

2010-09-01

Full Text Available The SnIV atom in the title organotin dithiocarbamate, [Sn(C6H52(C11H14NS2Cl], is penta-coordinated by an asymmetrically coordinating dithiocarbamate ligand, a Cl and two ispo-C atoms of the Sn-bound phenyl groups. The resulting C2ClS2 donor set defines a coordination geometry intermediate between square-pyramidal and trigonal-bipyramidal with a slight tendency towards the latter. The formation of close intramolecular C–H...Cl and C–H...S contacts precludes the Cl and S atoms from forming significant intermolecular contacts. The presence of C–H...π contacts leads to the formation of supramolecular arrays that stack along the b axis.

IUE observations of interstellar Si IV and C IV lines observed in the spectra of Wolf-Rayet stars

International Nuclear Information System (INIS)

Smith, L.J.; Willis, A.J.; Wilson, R.

1980-01-01

Recent IUE observations of Wolf-Rayet stars show narrow absorption lines in the highly ionized species of Si IV and C IV. The strengths of these 'interstellar' Si IV and C IV lines observed in the spectra of 10 WR stars and two other early-type stars are compared. Of the WR sample, six stars exhibit very strong Si IV and C IV lines (Wsub(lambda) approximately 0.3 to 0.5 A) whilst the other four stars show much weaker lines (Wsub(lambda) approximately 0.1 A). There is no correlation between the strengths of these lines with either stellar distance or colour excess. The weaker absorptions may arise in the individual stellar H II regions, the observed strengths being consistent with those expected for stars with Tsub(eff) = 30 000 K. Five of the other stars which exhibit very strong absorptions lie in the line of sight to active interstellar regions (Cygnus and Carina nebulae) and it is considered probable that, in addition to their H II region components, the bulk of the strong Si IV and C IV absorptions originate in hot gas associated with these active regions. In the case of the WN5 star HD 50896 violet-displaced components are observed in the interstellar lines of low ionization species. These are thought to be produced in the ring nebula S308 surrounding HD 50896. (author)

PENGARUH PEMBELAJARAN STUDENT TEAM ACHIEVEMENT DIVISION DAN DISKUSI TERHADAP HASIL BELAJAR IPA KELAS IV SD

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Lalu Warige Hadinata

2017-07-01

Full Text Available The research aims to determine the effect of STAD and discussion on learning outcomes of classroom learning for science at 4th grade. The design of this research used a quasi-experimental design with nonequivalent control group design. Research was conducted in the 4th grade students of SDN 2 Kekeri West Lombok It’s consist of 19 students in 4th grade/a as an STAD and 19 students at 4th grade/b as the discussion. Analysis of learning outcomes data using the Independent Sample T Test with IBM SPSS 24. The analysis showed: (1 there were no significant differences in learning outcomes among students that learned STAD and students that learned discussion. (2 STAD and discussion has an effect on student learning outcomes of 4th grade. Penelitian bertujuan untuk mengetahui perbedaan hasil belajar STAD dan diskusi pelajaran IPA kelas IV. Rancangan penelitian ini menggunakan eksperimen semu dengan bentuk nonequivalent control group design. Penelitian dilaksanakan pada siswa kelas IV SDN 2 Kekeri Lombok Barat terdiri dari 19 siswa kelas IV/a dengan STAD dan 19 siswa kelas IV/b dengan diskusi. Analisis data hasil belajar menggunakan Independent Sample T Test dengan IBM SPSS 24. Hasil analisis menunjukkan (1 tidak ada perbedaan hasil belajar yang signifikan antara siswa yang dibelajarkan STAD dan siswa yang dibelajarkan diskusi. (2 STAD dan diskusi mampu meningkatkan hasil belajar siswa pada kelas IV.

Bone density, body composition, and psychopathology of anorexia nervosa spectrum disorders in DSM-IV vs DSM-5.

Science.gov (United States)

Schorr, Melanie; Thomas, Jennifer J; Eddy, Kamryn T; Dichtel, Laura E; Lawson, Elizabeth A; Meenaghan, Erinne; Lederfine Paskal, Margaret; Fazeli, Pouneh K; Faje, Alexander T; Misra, Madhusmita; Klibanski, Anne; Miller, Karen K

2017-04-01

DSM-5 revised the diagnostic criteria for anorexia nervosa (AN) by eliminating the amenorrhea requirement, liberalizing weight and psychological criteria, and adding the formal diagnosis of "atypical AN" for individuals with AN psychological symptoms without low weight. We sought to determine whether bone density (BMD) is impaired in women diagnosed with AN using the new, more liberal, DSM-5 criteria. Cross-sectional study of 168 women, 18 - 45y: (1) AN by DSM-IV (DSM-IV AN) (n = 37), (2) AN by DSM-5 but not DSM-IV criteria (DSM-5 AN) (n = 33), (3) atypical AN (ATYPICAL AN) (n = 77), (4) healthy comparison group (HC) (n = 21). Measurements included dual energy X-ray absorptiometry, Eating Disorder Examination-Questionnaire, Eating Disorder Inventory-2, Hamilton Depression and Anxiety Rating Scales. BMD Z-score DSM-IV, 82% of DSM-5, and 69% of ATYPICAL. Mean Z-scores were comparably low in DSM-IV and DSM-5, intermediate in ATYPICAL, and highest in HC. Lack of prior low weight or amenorrhea was, but history of overweight/obesity was not, protective against bone loss. Mean lean mass and percent fat mass were significantly lower in all AN groups than HC. DSM-IV, DSM-5, and ATYPICAL had comparable psychopathology. Despite liberalizing diagnostic criteria, many women diagnosed with AN and atypical AN using DSM-5 criteria have low BMD. Presence or history of low weight and/or amenorrhea remain important indications for DXA. Loss of lean mass, in addition to fat mass, is present in all AN groups, and may contribute to low BMD. The deleterious effect of eating disorders on BMD extends beyond those with current low weight and amenorrhea. © 2016 Wiley Periodicals, Inc.(Int J Eat Disord 2017; 50:343-351). © 2016 Wiley Periodicals, Inc.

Current status of NPP generation IV

International Nuclear Information System (INIS)

Yohanes Dwi Anggoro; Dharu Dewi; Nurlaila; Arief Tris Yuliyanto

2013-01-01

Today development of nuclear technology has reached the stage of research and development of Generation IV nuclear power plants (advanced reactor systems) which is an innovative development from the previous generation of nuclear power plants. There are six types of power generation IV reactors, namely: Very High Temperature Reactor (VHTR), Sodium-cooled Fast Reactor (SFR), Gas-cooled Fast Reactor (GFR), Lead-cooled Fast Reactor (LFR), Molten Salt Reactor (MSR), and Super Critical Water-cooled Reactor (SCWR). The purpose of this study is to know the development of Generation IV nuclear power plants that have been done by the thirteen countries that are members of the Gen IV International Forum (GIF). The method used is review study and refers to various studies related to the current status of research and development of generation IV nuclear power. The result of this study showed that the systems and technology on Generation IV nuclear power plants offer significant advances in sustainability, safety and reliability, economics, and proliferation resistance and physical protection. In addition, based on the research and development experience is estimated that: SFR can be used optimally in 2015, VHTR in 2020, while NPP types GFR, LFR, MSR, and SCWR in 2025. Utilization of NPP generation IV said to be optimal if fulfill the goal of NPP generation IV, such as: capable to generate energy sustainability and promote long-term availability of nuclear fuel, minimize nuclear waste and reduce the long term stewardship burden, has an advantage in the field of safety and reliability compared to the previous generation of NPP and VHTR technology have a good prospects in Indonesia. (author)

Validation of nuclear criticality safety software and 27 energy group ENDF/B-IV cross sections. Revision 1

International Nuclear Information System (INIS)

Lee, B.L. Jr.; D'Aquila, D.M.

1996-01-01

The original validation report, POEF-T-3636, was documented in August 1994. The document was based on calculations that were executed during June through August 1992. The statistical analyses in Appendix C and Appendix D were completed in October 1993. This revision is written to clarify the margin of safety being used at Portsmouth for nuclear criticality safety calculations. This validation gives Portsmouth NCS personnel a basis for performing computerized KENO V.a calculations using the Lockheed Martin Nuclear Criticality Safety Software. The first portion of the document outlines basic information in regard to validation of NCSS using ENDF/B-IV 27-group cross sections on the IBM3090 at ORNL. A basic discussion of the NCSS system is provided, some discussion on the validation database and validation in general. Then follows a detailed description of the statistical analysis which was applied. The results of this validation indicate that the NCSS software may be used with confidence for criticality calculations at the Portsmouth Gaseous Diffusion Plant. For calculations of Portsmouth systems using the specified codes and systems covered by this validation, a maximum k eff including 2σ of 0.9605 or lower shall be considered as subcritical to ensure a calculational margin of safety of 0.02. The validation of NCSS on the IBM 3090 at ORNL was extended to include NCSS on the IBM 3090 at K-25

Fracture resistance of class IV fiber-reinforced composite resin restorations: An in vitro study

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P S Praveen Kumar

2017-01-01

Full Text Available Objectives: The aim of this study was to evaluate fracture resistance of incisal edge fractures (Class IV restored with a Glass Fiber-reinforced Composite (FRC. Materials and Methods: Twenty-four extracted sound maxillary central incisors were randomly divided into two groups. Group I (control contained untreated teeth. Samples in experimental groups II were prepared by cutting the incisal (one-third part of the crown horizontally and was subjected to enamel preparations, then restored with a Glass FRC. Fracture resistance was evaluated as Newton's for samples tested in a Hounsfield universal testing machine. Failure modes were examined microscopically. Results: Mean peak failure load (Newton's observed in Glass Fiber-reinforced Nanocomposite was 863.50 ± 76.12. The experimental group showed similar types of failure modes with the majority occurring as cohesive and mixed type. 58% of the teeth in Glass FRC group fractured below the cementoenamel junction. Conclusion: Using Fiber reinforced composite substructure under conventional composites in Class IV restorations, the fracture resistance of the restored incisal edge could be increased.

Target Selection for the SDSS-IV APOGEE-2 Survey

International Nuclear Information System (INIS)

Zasowski, G.; Cohen, R. E.; Carlberg, J. K.; Fleming, Scott W.; Chojnowski, S. D.; Holtzman, J.; Santana, F.; Oelkers, R. J.; Bird, J. C.; Andrews, B.; Beaton, R. L.; Bender, C.; Cunha, K.; Bovy, J.; Covey, K.; Dell’Agli, F.; García-Hernández, D. A.; Frinchaboy, P. M.; Harding, P.; Johnson, J. A.

2017-01-01

APOGEE-2 is a high-resolution, near-infrared spectroscopic survey observing ∼3 × 10 5 stars across the entire sky. It is the successor to APOGEE and is part of the Sloan Digital Sky Survey IV (SDSS-IV). APOGEE-2 is expanding on APOGEE’s goals of addressing critical questions of stellar astrophysics, stellar populations, and Galactic chemodynamical evolution using (1) an enhanced set of target types and (2) a second spectrograph at Las Campanas Observatory in Chile. APOGEE-2 is targeting red giant branch and red clump stars, RR Lyrae, low-mass dwarf stars, young stellar objects, and numerous other Milky Way and Local Group sources across the entire sky from both hemispheres. In this paper, we describe the APOGEE-2 observational design, target selection catalogs and algorithms, and the targeting-related documentation included in the SDSS data releases.

Synthesis, molecular structure and magnetic properties of a rhenium(IV) compound with catechol

Science.gov (United States)

Cuevas, A.; Geis, L.; Pintos, V.; Chiozzone, R.; Sanchíz, J.; Hummert, M.; Schumann, H.; Kremer, C.

2009-03-01

A novel Re(IV) complex containing catechol as ligand has been prepared and characterized. The crystal structure of (HNEt 3)(NBu 4)[ReCl 4(cat)]·H 2cat was determined. The rhenium ion presents a distorted octahedral geometry, being bonded to a bidentate catecholate group and four chloride anions. The magnetic properties of the complex were studied, a /2 D/ (the energy gap between ±3/2 and ±1/2 Kramers doublets) value of 190(10) cm -1. This is the largest /2 D/ value reported for Re(IV) up to now.

Collagen type IV at the fetal-maternal interface.

Science.gov (United States)

Oefner, C M; Sharkey, A; Gardner, L; Critchley, H; Oyen, M; Moffett, A

2015-01-01

Extracellular matrix proteins play a crucial role in influencing the invasion of trophoblast cells. However the role of collagens and collagen type IV (col-IV) in particular at the implantation site is not clear. Immunohistochemistry was used to determine the distribution of collagen types I, III, IV and VI in endometrium and decidua during the menstrual cycle and the first trimester of pregnancy. Expression of col-IV alpha chains during the reproductive cycle was determined by qPCR and protein localisation by immunohistochemistry. The structure of col-IV in placenta was examined using transmission electron microscopy. Finally, the expression of col-IV alpha chain NC1 domains and collagen receptors was localised by immunohistochemistry. Col-IV alpha chains were selectively up-regulated during the menstrual cycle and decidualisation. Primary extravillous trophoblast cells express collagen receptors and secrete col-IV in vitro and in vivo, resulting in the increased levels found in decidua basalis compared to decidua parietalis. A novel expression pattern of col-IV in the mesenchyme of placental villi, as a three-dimensional network, was found. NC1 domains of col-IV alpha chains are known to regulate tumour cell migration and the selective expression of these domains in decidua basalis compared to decidua parietalis was determined. Col-IV is expressed as novel forms in the placenta. These findings suggest that col-IV not only represents a structural protein providing tissue integrity but also influences the invasive behaviour of trophoblast cells at the implantation site. Copyright © 2014 Elsevier Ltd. All rights reserved.

Comparison of intranasal ketamine versus IV morphine in reducing pain in patients with renal colic.

Science.gov (United States)

Farnia, Mohammad Reza; Jalali, Alireza; Vahidi, Elnaz; Momeni, Mehdi; Seyedhosseini, Javad; Saeedi, Morteza

2017-03-01

Various drugs have been used to relieve abdominal pain in patients with renal colic. Ketamine is a popular choice as an analgesic. To compare the effectiveness of intranasal (IN) ketamine versus intravenous (IV) morphine in reducing pain in patients with renal colic. A randomized double-blind controlled trial was performed in 53 patients with renal colic recruited from the emergency department (ED) in 2015. Finally, 40 patients were enrolled in this study. Patients in the ketamine group received IN ketamine 1 mg/kg and IV placebo while patients in the control group received IV morphine 0.1mg/kg and IN placebo. Our goal was to assess visual analogue scale (VAS) changes between the 2 groups. Patients' VAS scores were reported before and 5, 15, 30min after drug injection. Before drug administration, the mean±SD VAS score was 7.40±1.18 in the morphine group (group A) and 8.35±1.30 in the ketamine group (group B) (P-value=0.021). After adjustment by the appropriate analysis, the mean±SD VAS score in group (A) and (B) at 5min were (6.07±0.47 vs 6.87±0.47; mean difference -0.79, 95% confidence interval (CI) -1.48 to -1.04) (P-value=0.025), at 15 and 30min, the mean±SD VAS score in group (A) and (B) were (5.24±0.49 vs 5.60±0.49; mean difference -0.36, 95% CI -1.08 to 0.34) and (4.02±0.59 vs 4.17±0.59; mean difference -0.15, 95% CI -1.02 to 0.71) (P-value=0.304 and 0.719) respectively. IN ketamine may be effective in decreasing pain in renal colic. Copyright © 2016 Elsevier Inc. All rights reserved.

A Si IV/O IV Electron Density Diagnostic for the Analysis of IRIS Solar Spectra

Science.gov (United States)

Young, P. R.; Keenan, F. P.; Milligan, R. O.; Peter, H.

2018-04-01

Solar spectra of ultraviolet bursts and flare ribbons from the Interface Region Imaging Spectrograph (IRIS) have suggested high electron densities of > {10}12 cm‑3 at transition region temperatures of 0.1 MK, based on large intensity ratios of Si IV λ1402.77 to O IV λ1401.16. In this work, a rare observation of the weak O IV λ1343.51 line is reported from an X-class flare that peaked at 21:41 UT on 2014 October 24. This line is used to develop a theoretical prediction of the Si IV λ1402.77 to O IV λ1401.16 ratio as a function of density that is recommended to be used in the high-density regime. The method makes use of new pressure-dependent ionization fractions that take account of the suppression of dielectronic recombination at high densities. It is applied to two sequences of flare kernel observations from the October 24 flare. The first shows densities that vary between 3× {10}12 and 3× {10}13 cm‑3 over a seven-minute period, while the second location shows stable density values of around 2× {10}12 cm‑3 over a three-minute period.

Batch and column adsorption behaviors of Se(IV) and Te(IV) on organic and inorganic ion exchangers from HCl solutions

Energy Technology Data Exchange (ETDEWEB)

El-Sweify, Fatma H.; Abdel-Fattah, Alaa El-Din A.; Aly, Shorouk M.; Ghamry, Mohamed A. [Atomic Energy Authority, Cairo (Egypt). Hot Laboratories Center; El-Sheikh, Ragaa [Zagazig Univ. (Egypt). Chemistry Dept.

2017-07-01

Adsorption behaviors of Se(IV) and Te(IV) on the inorganic ion exchanger ceric tungstate (CeW) was studied under static and dynamic conditions and compared with the adsorption on the organic cation and anion exchangers Dowex-50X8 and AG-2X8, respectively. The radioactive isotopes {sup 75}Se and {sup 123m}Te were used to trace the respective elements. Some parameters affecting the adsorption were investigated under static conditions. In the case of batch technique the adsorption was studied from slightly acidic HCl as well as slightly alkaline media, i.e. at two pH-ranges. Se(IV) and Te(IV) were adsorbed on both the inorganic ion exchanger (CeW) and on AG-2X8, from slightly alkaline solutions. From the similarity of adsorption on both ion exchangers it was clear that (CeW) acts as an anion exchanger. Moreover, the obtained K{sub d}-values for the adsorption on (CeW) were much higher than those for the adsorption on the organic anion exchanger AG-2X8. Se(IV) was not adsorbed on Dowex-50X8 all over the studied pH-range whereas Te(IV) was slightly adsorbed. Loading and elution behaviors of Se(IV) and Te(IV) on columns of AG-2X8 and (CeW) were studied using solutions of HCl of different concentrations. Some good separation alternatives of Se(IV) and Te(IV) under certain conditions were achieved.

Predicting DPP-IV inhibitors with machine learning approaches

Science.gov (United States)

Cai, Jie; Li, Chanjuan; Liu, Zhihong; Du, Jiewen; Ye, Jiming; Gu, Qiong; Xu, Jun

2017-04-01

Dipeptidyl peptidase IV (DPP-IV) is a promising Type 2 diabetes mellitus (T2DM) drug target. DPP-IV inhibitors prolong the action of glucagon-like peptide-1 (GLP-1) and gastric inhibitory peptide (GIP), improve glucose homeostasis without weight gain, edema, and hypoglycemia. However, the marketed DPP-IV inhibitors have adverse effects such as nasopharyngitis, headache, nausea, hypersensitivity, skin reactions and pancreatitis. Therefore, it is still expected for novel DPP-IV inhibitors with minimal adverse effects. The scaffolds of existing DPP-IV inhibitors are structurally diversified. This makes it difficult to build virtual screening models based upon the known DPP-IV inhibitor libraries using conventional QSAR approaches. In this paper, we report a new strategy to predict DPP-IV inhibitors with machine learning approaches involving naïve Bayesian (NB) and recursive partitioning (RP) methods. We built 247 machine learning models based on 1307 known DPP-IV inhibitors with optimized molecular properties and topological fingerprints as descriptors. The overall predictive accuracies of the optimized models were greater than 80%. An external test set, composed of 65 recently reported compounds, was employed to validate the optimized models. The results demonstrated that both NB and RP models have a good predictive ability based on different combinations of descriptors. Twenty "good" and twenty "bad" structural fragments for DPP-IV inhibitors can also be derived from these models for inspiring the new DPP-IV inhibitor scaffold design.

Spectroscopy study of ceramic pigments based on Ce(IV)-Pr(IV) oxide

International Nuclear Information System (INIS)

Furtado, L.; Toma, H.E.

1991-01-01

The synthesis and spectroscopic properties of a series of cerium(IV)-praseodimium(IV) oxide pigments are reported. The pigments exhibit brick-red colours and are suitable for ceramic applications because of their high temperature stability. Electronic absorption spectra of the pigments suspended in a gel matrix of polyvinyl alcohol-sodium tetradecaborate mixture, consists of broad band with gaussian components at 372 and 472nm. These bands are described to charge -transfer transitions from the occupied oxygen p-orbitals to the empty f levels of the lanthanides. (author)

1L Mark-IV Target Design Review

Energy Technology Data Exchange (ETDEWEB)

Koehler, Paul E. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2017-11-16

This presentation includes General Design Considerations; Current (Mark-III) Lower Tier; Mark-III Upper Tier; Performance Metrics; General Improvements for Material Science; General Improvements for Nuclear Science; Improving FOM for Nuclear Science; General Design Considerations Summary; Design Optimization Studies; Expected Mark-IV Performance: Material Science; Expected Mark-IV Performance: Nuclear Science (Disk); Mark IV Enables Much Wider Range of Nuclear-Science FOM Gains than Mark III; Mark-IV Performance Summary; Rod or Disk? Center or Real FOV?; and Project Cost and Schedule.

(NH4)[V1-xIIIVxIV(AsO4)F1-xOx]: A new mixed valence vanadium(III,IV) fluoro-arsenate with ferromagnetic interactions and electronic conductivity

International Nuclear Information System (INIS)

Berrocal, Teresa; Mesa, Jose L.; Pizarro, Jose L.; Bazan, Begona; Ruiz de Larramendi, Idoia; Arriortua, Maria I.; Rojo, Teofilo

2009-01-01

A new mixed valence vanadium(III,IV) fluoro-arsenate compound, with formula (NH 4 )[V 1-x III V x IV (AsO 4 )F 1-x O x ] and KTP structure-type, has been synthesized by mild hydrothermal techniques. The crystal structure has been solved from single crystal X-ray diffraction data in the Pna2 1 orthorhombic space group. The unit-cell parameters are a=13.196(2) A, b=6.628(1) A and c=10.7379(7) A with Z=8. The final R factors were R1=0.0438 and wR2=0.0943 [all data]. The crystal structure consists of a three-dimensional framework formed by (V III,IV O 4 F 2 ) octahedra and (AsO 4 ) 3- tetrahedra arsenate oxoanions. The vanadium(III,IV) cations, from the (V III,IV O 4 F 2 ) octahedra, are linked through the fluorine atoms giving rise to zigzag chains. The ammonium cations are located in the cavities of the structure compensating the anionic charge of the [V 1-x III V x IV (AsO 4 )F 1-x O x ] - inorganic skeleton. The thermal stability limit of the phase is 345 deg. C, around to this temperature the ammonium cation and fluoride anion are lost. The IR spectrum shows the characteristic bands of the (NH 4 ) + and (AsO 4 ) 3- ions. Magnetic measurements indicate the existence of weak ferromagnetic interactions. Electronic conductivity, via a hopping mechanism, occurs with an activation energy of 0.66 eV. - Graphical abstract: Polyhedral view of the crystal structure of (NH 4 )[V III 1-x V IV x (AsO 4 )F 1-x O x

Survival outcome of women with stage IV uterine carcinosarcoma who received neoadjuvant chemotherapy followed by surgery.

Science.gov (United States)

Matsuo, Koji; Johnson, Marian S; Im, Dwight D; Ross, Malcolm S; Bush, Stephen H; Yunokawa, Mayu; Blake, Erin A; Takano, Tadao; Klobocista, Merieme M; Hasegawa, Kosei; Ueda, Yutaka; Shida, Masako; Baba, Tsukasa; Satoh, Shinya; Yokoyama, Takuhei; Machida, Hiroko; Ikeda, Yuji; Adachi, Sosuke; Miyake, Takahito M; Iwasaki, Keita; Yanai, Shiori; Takeuchi, Satoshi; Nishimura, Masato; Nagano, Tadayoshi; Takekuma, Munetaka; Shahzad, Mian M K; Pejovic, Tanja; Omatsu, Kohei; Kelley, Joseph L; Ueland, Frederick R; Roman, Lynda D

2018-03-01

To examine survival of women with stage IV uterine carcinosarcoma (UCS) who received neoadjuvant chemotherapy followed by hysterectomy. This is a nested case-control study within a retrospective cohort of 1192 UCS cases. Women who received neoadjuvant chemotherapy followed by hysterectomy based-surgery for stage IV UCS (n = 26) were compared to those who had primary hysterectomy-based surgery without neoadjuvant chemotherapy for stage IV UCS (n = 120). Progression-free survival (PFS) and cause-specific survival (CSS) were examined. The most common regimen for neoadjuvant chemotherapy was carboplatin/paclitaxel (53.8%). Median number of neoadjuvant chemotherapy cycles was 4. PFS was similar between the neoadjuvant chemotherapy group and the primary surgery group (unadjusted-hazard ratio [HR] 1.19, 95% confidence interval [CI] 0.75-1.89, P = 0.45). Similarly, CSS was comparable between the two groups (unadjusted-HR 1.13, 95%CI 0.68-1.90, P = 0.64). When the types of neoadjuvant chemotherapy regimens were compared, women who received a carboplatin/paclitaxel regimen had better survival outcomes compared to those who received other regimens: PFS, unadjusted-HR 0.38, 95%CI 0.15-0.93, P = 0.027; and CSS, unadjusted-HR 0.21, 95%CI 0.07-0.61, P = 0.002. Our study found that there is no statistically significant difference in survival between women with stage IV UCS who are tolerated neoadjuvant chemotherapy and those who undergo primary surgery. © 2017 Wiley Periodicals, Inc.

Tuning the ferroelectric-to-paraelectric transition temperature and dipole orientation of group-IV monochalcogenide monolayers

Science.gov (United States)

Barraza-Lopez, Salvador; Kaloni, Thaneshwor P.; Poudel, Shiva P.; Kumar, Pradeep

2018-01-01

Coordination-related, two-dimensional (2D) structural phase transitions are a fascinating facet of two-dimensional materials with structural degeneracies. Nevertheless, a unified theoretical account of these transitions remains absent, and the following points are established through ab initio molecular dynamics and 2D discrete clock models here: Group-IV monochalcogenide (GeSe, SnSe, SnTe,...) monolayers have four degenerate structural ground states, and a phase transition from a threefold coordinated onto a fivefold coordinated structure takes place at finite temperature. On unstrained samples, this phase transition requires lattice parameters to evolve freely. A fundamental energy scale J permits understanding this transition, and numerical results indicate a transition temperature Tc of about 1.41 J . Numerical data provides a relation among the experimental (rhombic) parameter 〈Δ α 〉 [Chang et al., Science 353, 274 (2016), 10.1126/science.aad8609] and T of the form 〈Δ α 〉 =Δ α (T =0 ) (1-T /Tc)β , with a critical exponent β ≃1 /3 that coincides with experiment. It is also shown that 〈Δ α 〉 is temperature independent in another theoretical work [Fei et al., Phys. Rev. Lett. 117, 097601 (2016), 10.1103/PhysRevLett.117.097601], and thus incompatible with experiment. Tc and the orientation of the in-plane intrinsic electric dipole can be controlled by moderate uniaxial tensile strain, and a modified discrete clock model describes the transition on strained samples qualitatively. An analysis of out-of-plane fluctuations and a discussion of the need for van der Waals corrections to describe these materials are given too. These results provide an experimentally compatible framework to understand structural phase transitions in 2D materials and their effects on material properties.

Investigating the reasons of variability in Si IV and C IV broad absorption line troughs of quasars

Science.gov (United States)

Stathopoulos, Dimitrios; Lyratzi, Evangelia; Danezis, Emmanuel; Antoniou, Antonios; Tzimeas, Dimitrios

2017-09-01

In this paper we analyze the C IV and Si IV broad absorption troughs of two BALQSOs (J101056.69+355833.3, J114548.38+393746.6) to the individual components they consist of. By analyzing a BAL trough to its components we have the advantage to study the variations of the individual absorbing systems in the line of sight and not just the variations of the whole absorption trough or the variations of selected portions of BAL troughs exhibiting changes. We find that the velocity shifts and FWHMs (Full Width at Half Maximum) of the individual components do not vary between an interval of six years. All variable components show changes in the optical depths at line centers which are manifested as variations in the EW (Equivalent Width) of the components. In both BALQSOs, over corresponding velocities, Si IV has higher incidence of variability than C IV. From our analysis, evidence is in favour of different covering fractions between C IV and Si IV. Finally, although most of our results favour the crossing cloud scenario as the cause of variability, there is also strong piece of evidence indicating changing ionization as the source of variability. Thus, a mixed situation where both physical mechanisms contribute to BAL variability is the most possible scenario.

Sorption properties of Th(IV) on the raw diatomite-Effects of contact time, pH, ionic strength and temperature

International Nuclear Information System (INIS)

Sheng Guodong; Hu Jun; Wang Xiangke

2008-01-01

Diatomite has a number of unique physicochemical properties and has diversified industrial uses. Natural diatomite has been tested as a potential sorbent for the removal of Th(IV) from aqueous solutions. The results indicate that sorption of Th(IV) is strongly dependent on ionic strength at pH 3. Outer-sphere complexation or ion exchange may be the main sorption mechanism of Th(IV) to diatomite at low pH values, whereas the sorption of Th(IV) at pH>3 is mainly dominated by inner-sphere complexation or precipitation. The competition for Th(IV) between aqueous or surface adsorbed anions (e.g., herein ClO 4 - , NO 3 - and Cl - ) and surface functional groups of diatomite is important for Th(IV) sorption. The thermodynamic data (ΔH 0 , ΔS 0 , ΔG 0 ) are calculated from the temperature-dependent sorption isotherms. The results suggest that sorption process of Th(IV) on diatomite is spontaneous and endothermic

Sorption properties of Th(IV) on the raw diatomite--effects of contact time, pH, ionic strength and temperature.

Science.gov (United States)

Sheng, Guodong; Hu, Jun; Wang, Xiangke

2008-10-01

Diatomite has a number of unique physicochemical properties and has diversified industrial uses. Natural diatomite has been tested as a potential sorbent for the removal of Th(IV) from aqueous solutions. The results indicate that sorption of Th(IV) is strongly dependent on ionic strength at pH3. Outer-sphere complexation or ion exchange may be the main sorption mechanism of Th(IV) to diatomite at low pH values, whereas the sorption of Th(IV) at pH>3 is mainly dominated by inner-sphere complexation or precipitation. The competition for Th(IV) between aqueous or surface adsorbed anions (e.g., herein ClO(4)(-), NO(3)(-) and Cl(-)) and surface functional groups of diatomite is important for Th(IV) sorption. The thermodynamic data (DeltaH(0), DeltaS(0), DeltaG(0)) are calculated from the temperature-dependent sorption isotherms. The results suggest that sorption process of Th(IV) on diatomite is spontaneous and endothermic.

Synthesis, spectroscopic, structural and thermal characterizations of vanadyl(IV) adenine complex prospective as antidiabetic drug agent

Science.gov (United States)

El-Megharbel, Samy M.; Hamza, Reham Z.; Refat, Moamen S.

2015-01-01

The vanadyl(IV) adenine complex; [VO(Adn)2]ṡSO4; was synthesized and characterized. The molar conductivity of this complex was measured in DMSO solution that showed an electrolyte nature. Spectroscopic investigation of the green solid complex studied here indicate that the adenine acts as a bidentate ligand, coordinated to vanadyl(IV) ions through the nitrogen atoms N7 and nitrogen atom of amino group. Thus, from the results presented the vanadyl(IV) complex has square pyramid geometry. Further characterizations using thermal analyses and scanning electron techniques was useful. The aim of this paper was to introduce a new drug model for the diabetic complications by synthesized a novel mononuclear vanadyl(IV) adenine complex to mimic insulin action and reducing blood sugar level. The antidiabetic ability of this complex was investigated in STZ-induced diabetic mice. The results suggested that VO(IV)/adenine complex has antidiabetic activity, it improved the lipid profile, it improved liver and kidney functions, also it ameliorated insulin hormone and blood glucose levels. The vanadyl(IV) complex possesses an antioxidant activity and this was clear through studying SOD, CAT, MDA, GSH and methionine synthase. The current results support the therapeutic potentiality of vanadyl(IV)/adenine complex for the management and treatment of diabetes.

How the Change in IBS Criteria From Rome III to Rome IV Impacts on Clinical Characteristics and Key Pathophysiological Factors.

Science.gov (United States)

Aziz, Imran; Törnblom, Hans; Palsson, Olafur S; Whitehead, William E; Simrén, Magnus

2018-06-08

The diagnostic criteria for irritable bowel syndrome (IBS) have recently been updated from Rome III to Rome IV. Whereas in Rome III a diagnosis of IBS entailed chronic abdominal pain or discomfort at least 3 days per month, in Rome IV the term discomfort has been removed and the frequency of abdominal pain increased to at least 1 day per week. We examined how this change in IBS criteria impacts on clinical characteristics and pathophysiological factors. A total of 542 Swedish subjects with Rome III IBS completed a baseline questionnaire enquiring for the number of abdominal pain days in the last 10 days; this was subsequently used as a surrogate marker to identify Rome IV IBS, in that (a) those with 0 or 1 day of pain were classed as Rome IV-negative, and (b) those with ≥2 days of pain were classed as Rome IV-positive. Comparisons were made between Rome IV-positive and -negative IBS groups for demographics, IBS subtype, gastrointestinal and psychological symptoms, somatisation, fatigue, disease-specific quality of life, rectal sensitivity, and oro-anal transit time. Overall, 85% of Rome III IBS patients fulfilled the Rome IV criteria for IBS, but 15% did not. Rome IV-positive subjects were significantly more likely to be female, have poorer quality of life, greater pain severity, bloating, somatisation, fatigue, and rectal sensitivity than Rome IV-negative subjects. There were no differences in severity of anxiety or depression, IBS subtypes, bowel habit dissatisfaction, or oro-anal transit time. Finally, increasing number of pain days correlated positively with symptoms and visceral hypersensitivity. Most Rome III-positive IBS patients seeking healthcare fulfil the Rome IV IBS criteria. They constitute a more severe group than those who lose their IBS diagnosis.

Bone density, body composition, and psychopathology of anorexia nervosa spectrum disorders in DSM-IV vs DSM-5

Science.gov (United States)

Schorr, Melanie; Thomas, Jennifer J.; Eddy, Kamryn T.; Dichtel, Laura E.; Lawson, Elizabeth A.; Meenaghan, Erinne; Paskal, Margaret Lederfine; Fazeli, Pouneh K.; Faje, Alexander T.; Misra, Madhusmita; Klibanski, Anne; Miller, Karen K.

2016-01-01

Objective DSM-5 revised diagnostic criteria for anorexia nervosa (AN) by eliminating the amenorrhea requirement, liberalizing weight and psychological criteria, and adding the formal diagnosis of “atypical AN” for individuals with AN psychological symptoms without low weight. We sought to determine whether bone density (BMD) is impaired in women diagnosed with AN using the new, more liberal DSM-5 criteria. Method Cross-sectional study of 168 women, 18–45y: 1) AN by DSM-IV (DSM-IV)(n=37), 2) AN by DSM-5 but not DSM-IV criteria (DSM-5)(n=33), 3) atypical AN (ATYPICAL)(n=77), 4) healthy comparison group (HC)(n=21). Measurements included dual energy x-ray absorptiometry, Eating Disorder Examination-Questionnaire, Eating Disorder Inventory-2, Hamilton Depression and Anxiety Rating Scales. Results BMD Z-score DSM-5, and 69% of ATYPICAL. Mean Z-scores were comparably low in DSM-IV and DSM-5, intermediate in ATYPICAL, and highest in HC. Lack of prior low weight or amenorrhea was, but history of overweight/obesity was not, protective against bone loss. Mean lean mass and percent fat mass were significantly lower in all AN groups than HC. DSM-IV, DSM-5 and ATYPICAL had comparable psychopathology. Discussion Despite liberalizing diagnostic criteria, many women diagnosed with AN and atypical AN using DSM-5 criteria have low BMD. Presence or history of low weight and/or amenorrhea remain important indications for DXA. Loss of lean mass, in addition to fat mass, is present in all AN groups, and may contribute to low BMD. The deleterious effect of eating disorders on BMD extends beyond those with current low weight and amenorrhea. PMID:27527115

Target Selection for the SDSS-IV APOGEE-2 Survey

Energy Technology Data Exchange (ETDEWEB)

Zasowski, G. [Department of Physics and Astronomy, University of Utah, Salt Lake City, UT 84112 (United States); Cohen, R. E.; Carlberg, J. K.; Fleming, Scott W. [Space Telescope Science Institute, Baltimore, MD 21218 (United States); Chojnowski, S. D.; Holtzman, J. [Department of Astronomy, New Mexico State University, Las Cruces, NM 88001 (United States); Santana, F. [Departamento de Astronomía, Universidad de Chile, Santiago (Chile); Oelkers, R. J.; Bird, J. C. [Department of Physics and Astronomy, Vanderbilt University, Nashville, TN 37235 (United States); Andrews, B. [PITT PACC, Department of Physics and Astronomy, University of Pittsburgh, Pittsburgh, PA 15260 (United States); Beaton, R. L. [The Observatories of the Carnegie Institution for Science, Pasadena, CA 91101 (United States); Bender, C.; Cunha, K. [Steward Observatory, The University of Arizona, Tucson, AZ 85719 (United States); Bovy, J. [Department of Astronomy and Astrophysics and Dunlap Institute for Astronomy and Astrophysics, University of Toronto, Toronto, ON M5S 3H4 (Canada); Covey, K. [Department of Physics and Astronomy, Western Washington University, Bellingham, WA 98225 (United States); Dell’Agli, F.; García-Hernández, D. A. [Departamento de Astrofísica, Universidad de La Laguna, and Instituto de Astrofísica de Canarias, La Laguna, Tenerife (Spain); Frinchaboy, P. M. [Department of Physics and Astronomy, Texas Christian University, Fort Worth, TX 76129 (United States); Harding, P. [Department of Astronomy, Case Western Reserve University, Cleveland, OH 44106 (United States); Johnson, J. A., E-mail: gail.zasowski@gmail.com [Department of Astronomy, The Ohio State University, Columbus, OH 43210 (United States); and others

2017-11-01

APOGEE-2 is a high-resolution, near-infrared spectroscopic survey observing ∼3 × 10{sup 5} stars across the entire sky. It is the successor to APOGEE and is part of the Sloan Digital Sky Survey IV (SDSS-IV). APOGEE-2 is expanding on APOGEE’s goals of addressing critical questions of stellar astrophysics, stellar populations, and Galactic chemodynamical evolution using (1) an enhanced set of target types and (2) a second spectrograph at Las Campanas Observatory in Chile. APOGEE-2 is targeting red giant branch and red clump stars, RR Lyrae, low-mass dwarf stars, young stellar objects, and numerous other Milky Way and Local Group sources across the entire sky from both hemispheres. In this paper, we describe the APOGEE-2 observational design, target selection catalogs and algorithms, and the targeting-related documentation included in the SDSS data releases.

Glycogen Storage Disease Type IV

DEFF Research Database (Denmark)

Bendroth-Asmussen, Lisa; Aksglaede, Lise; Gernow, Anne B

2016-01-01

molecular genetic analyses confirmed glycogen storage disease Type IV with the finding of compound heterozygosity for 2 mutations (c.691+2T>C and c.1570C>T, p.R524X) in the GBE1 gene. We conclude that glycogen storage disease Type IV can cause early miscarriage and that diagnosis can initially be made...

IV&V Project Assessment Process Validation

Science.gov (United States)

Driskell, Stephen

2012-01-01

The Space Launch System (SLS) will launch NASA's Multi-Purpose Crew Vehicle (MPCV). This launch vehicle will provide American launch capability for human exploration and travelling beyond Earth orbit. SLS is designed to be flexible for crew or cargo missions. The first test flight is scheduled for December 2017. The SLS SRR/SDR provided insight into the project development life cycle. NASA IV&V ran the standard Risk Based Assessment and Portfolio Based Risk Assessment to identify analysis tasking for the SLS program. This presentation examines the SLS System Requirements Review/System Definition Review (SRR/SDR), IV&V findings for IV&V process validation correlation to/from the selected IV&V tasking and capabilities. It also provides a reusable IEEE 1012 scorecard for programmatic completeness across the software development life cycle.

Dissimilatory Fe(III) and Mn(IV) reduction.

Science.gov (United States)

Lovley, D R

1991-06-01

The oxidation of organic matter coupled to the reduction of Fe(III) or Mn(IV) is one of the most important biogeochemical reactions in aquatic sediments, soils, and groundwater. This process, which may have been the first globally significant mechanism for the oxidation of organic matter to carbon dioxide, plays an important role in the oxidation of natural and contaminant organic compounds in a variety of environments and contributes to other phenomena of widespread significance such as the release of metals and nutrients into water supplies, the magnetization of sediments, and the corrosion of metal. Until recently, much of the Fe(III) and Mn(IV) reduction in sedimentary environments was considered to be the result of nonenzymatic processes. However, microorganisms which can effectively couple the oxidation of organic compounds to the reduction of Fe(III) or Mn(IV) have recently been discovered. With Fe(III) or Mn(IV) as the sole electron acceptor, these organisms can completely oxidize fatty acids, hydrogen, or a variety of monoaromatic compounds. This metabolism provides energy to support growth. Sugars and amino acids can be completely oxidized by the cooperative activity of fermentative microorganisms and hydrogen- and fatty-acid-oxidizing Fe(III) and Mn(IV) reducers. This provides a microbial mechanism for the oxidation of the complex assemblage of sedimentary organic matter in Fe(III)- or Mn(IV)-reducing environments. The available evidence indicates that this enzymatic reduction of Fe(III) or Mn(IV) accounts for most of the oxidation of organic matter coupled to reduction of Fe(III) and Mn(IV) in sedimentary environments. Little is known about the diversity and ecology of the microorganisms responsible for Fe(III) and Mn(IV) reduction, and only preliminary studies have been conducted on the physiology and biochemistry of this process.

Structure, phonons and related properties in zinc-IV-nitride (IV = silicon, germanium, tin), scandium nitride, and rare-earth nitrides

Science.gov (United States)

Paudel, Tula R.

This thesis presents a study of the phonons and related properties in two sets of nitride compounds, whose properties are until now relatively poorly known. The Zn-IV-N2 group of compounds with the group IV elements Si, Ge and Sn, form a series analogous to the well known III-N nitride series with group III element Al, Ga, In. Structurally, they can be derived by doubling the period of III-V compounds in the plane in two directions and replacing the group-III elements with Zn and a group-IV element in a particular ordered pattern. Even though they are similar to the well-known III-V nitride compounds, the study of the properties of these materials is in its early stages. The phonons in these materials and their relation to the phonons in the corresponding group-III nitrides are of fundamental interest. They are also of practical interest because the phonon related spectra such as infrared absorption and Raman spectroscopy are sensitive to the structural quality of the material and can thus be used to quantify the degree of crystalline perfection of real samples. First-principles calculations of the phonons and related ground state properties of these compounds were carried out using Density Functional Perturbation Theory (DFPT) with the Local Density Approximation (LDA) for exchange and correlation and using a pseudopotential plane wave implementation which was developed by several authors over the last decades. The main focus of our study is on the phonons at the center of the Brillouin zone because the latter are most directly related to commonly used spectroscopies to probe the vibrations in a solid: infrared reflectivity and Raman spectroscopy. For a semiconducting or insulating compound, a splitting occurs between transverse and longitudinal phonons at the Gamma-point because of the long-range nature of electrostatic forces. The concepts required to handle this problem are reviewed. Our discussion emphasizes how the various quantities required are related to

Assembling filamentous phage occlude pIV channels.

Science.gov (United States)

Marciano, D K; Russel, M; Simon, S M

2001-07-31

Filamentous phage f1 is exported from its Escherichia coli host without killing the bacterial cell. Phage-encoded protein pIV, which is required for phage assembly and secretion, forms large highly conductive channels in the outer membrane of E. coli. It has been proposed that the phage are extruded across the bacterial outer membrane through pIV channels. To test this prediction, we developed an in vivo assay by using a mutant pIV that functions in phage export but whose channel opens in the absence of phage extrusion. In E. coli lacking its native maltooligosacharride transporter LamB, this pIV variant allowed oligosaccharide transport across the outer membrane. This entry of oligosaccharide was decreased by phage production and still further decreased by production of phage that cannot be released from the cell surface. Thus, exiting phage block the pIV-dependent entry of oligosaccharide, suggesting that phage occupy the lumen of pIV channels. This study provides the first evidence, to our knowledge, for viral exit through a large aqueous channel.

Non-equilibrium ionization by a periodic electron beam. II. Synthetic Si IV and O IV transition region spectra

Science.gov (United States)

Dzifčáková, Elena; Dudík, Jaroslav

2018-03-01

Context. Transition region (TR) spectra typically show the Si IV 1402.8 Å line to be enhanced by a factor of 5 or more compared to the neighboring O IV 1401.2 Å, contrary to predictions of ionization equilibrium models and the Maxwellian distribution of particle energies. Non-equilibrium effects in TR spectra are therefore expected. Aims: To investigate the combination of non-equilibrium ionization and high-energy particles, we apply the model of the periodic electron beam, represented by a κ-distribution that recurs at periods of several seconds, to plasma at chromospheric temperatures of 104 K. This simple model can approximate a burst of energy release involving accelerated particles. Methods: Instantaneous time-dependent charge states of silicon and oxygen were calculated and used to synthesize the instantaneous and period-averaged spectra of Si IV and O IV. Results: The electron beam drives the plasma out of equilibrium. At electron densities of Ne = 1010 cm-3, the plasma is out of ionization equilibrium at all times in all cases we considered, while for a higher density of Ne = 1011 cm-3, ionization equilibrium can be reached toward the end of each period, depending on the conditions. In turn, the character of the period-averaged synthetic spectra also depends on the properties of the beam. While the case of κ = 2 results in spectra with strong or even dominant O IV, higher values of κ can approximate a range of observed TR spectra. Spectra similar to typically observed spectra, with the Si IV 1402.8 Å line about a factor 5 higher than O IV 1401.2 Å, are obtained for κ = 3. An even higher value of κ = 5 results in spectra that are exclusively dominated by Si IV, with negligible O IV emission. This is a possible interpretation of the TR spectra of UV (Ellerman) bursts, although an interpretation that requires a density that is 1-3 orders of magnitude lower than for equilibrium estimates. Movies associated to Fig. A.1 are available at http://https://www.aanda.org

Report of Industry Panel Group

Science.gov (United States)

Gallimore, Simon; Gier, Jochen; Heitland, Greg; Povinelli, Louis; Sharma, Om; VandeWall, Allen

2006-01-01

A final report is presented from the industry panel group. The contents include: 1) General comments; 2) Positive progress since Minnowbrook IV; 3) Industry panel outcome; 4) Prioritized turbine projects; 5) Prioritized compressor projects; and 6) Miscellaneous.

Characterization of B-H agostic compounds involved in the dehydrogenation of amine-boranes by group 4 metallocenes.

Science.gov (United States)

Zhu, Jingwen; Zins, Emilie-Laure; Alikhani, Mohammad Esmaïl

2016-12-01

For over a decade, amine-borane has been considered as a potential chemical hydrogen vector in the context of a search for cleaner energy sources. When catalyzed by organometallic complexes, the reaction mechanisms currently considered involve the formation of β-BH agostic intermediates. A thorough understanding of these intermediates may constitute a crucial step toward the identification of ideal catalysts. Topological approaches such as QTAIM and ELF revealed to be particularly suitable for the description of β-agostic interactions. When studying model catalysts, accurate theoretical calculations may be carried out. However, for a comparison with experimental data, calculations should also be carried out on large organo-metallic species, often including transition metals belonging to the second or the third row. In such a case, DFT methods are particularly attractive. Unfortunately, triple-ζ all electrons basis sets are not easily available for heavy transition metal elements. Thus, a subtle balance should be reached between the affordable level of calculations and the required accuracy of the electronic description of the systems. Herein we propose the use of B3LYP functional in combination with the LanL2DZ pseudopotential for the metal atom and 6-311++G(2d,2p) basis set for the other atoms, followed by a single point using the DKH2 relativistic Hamiltonian in combination with the B3LYP/DZP-DKH level, as a "minimum level of theory" leading to a consistent topological description of the interaction within the ELF and QTAIM framework, in the context of isolated (gas-phase) group 4 metallocene catalysts.

Structure and properties of phosphorene-like IV-VI 2D materials.

Science.gov (United States)

Ma, Zhinan; Wang, Bo; Ou, Liangkai; Zhang, Yan; Zhang, Xu; Zhou, Zhen

2016-10-14

Because of the excellent physical and chemical properties of phosphorene, phosphorene and phosphorene-like materials have attracted extensive attention. Since phosphorus belongs to group V, some group IV-VI compounds could also form phosphorene-like configurations. In this work, GeO, SnO, GeS, and SnS monolayers were constructed to investigate the structural and electronic properties by employing first-principles computations. Phonon spectra suggest that these monolayers are dynamically stable and could be realized in experiments. These monolayers are all semiconductors with the band gaps of 2.26 ∼ 4.13 eV. Based on the monolayers, GeO, SnO, GeS, and SnS bilayers were also constructed. The band gaps of these bilayers are smaller than those of the corresponding monolayers. Moreover, the optical properties of these monolayers and bilayers were calculated, and the results indicate that the SnO, GeS and SnS bilayers exhibit obvious optical absorption in the visible spectrum. All the results suggest that phosphorene-like IV-VI materials are promising candidates for electronic and optical devices.

Solubility study of Tc(IV) oxides

International Nuclear Information System (INIS)

Liu, D.J.; Fan, X.H.

2005-01-01

The deep geological disposal of the high level radioactive wastes is expected to be a safer disposal method in most countries. The long-lived fission product 99 Tc is present in large quantities in nuclear wastes and its chemical behavior in aqueous solution is of considerable interest. Under oxidizing conditions technetium exists as the anionic species TcO 4 - whereas under the reducing conditions, expected to exist in a deep geological repository, it is generally predicted that technetium will be present as TcO 2 ·nH 2 O. Hence, the mobility of Tc(IV) in reducing groundwater may be limited by the solubility of TcO 2 ·nH 2 O under these conditions. Due to this fact it is important to investigate the solubility of TcO 2 ·nH 2 O. The solubility determines the release of radionuclides from waste form and is used as a source term in radionuclide migration analysis in performance assessment of radioactive waste repository. Technetium oxide was prepared by reduction of a technetate solution with Sn 2 + . The solubility of Tc(IV) oxide has been determined in simulated groundwater and redistilled water under aerobic and anaerobic conditions. The effects of pH and CO 3 2- concentration of solution on solubility of Tc(IV) oxide were studied. The concentration of total technetium and Tc(IV) species in the solutions were periodically determined by separating the oxidized and reduced technetium species using a solvent extraction procedure and counting the beta activity of the 99 Tc with a liquid scintillation counter. The experimental results show that the rate of oxidation of Tc(IV) in simulated groundwater and redistilled water is about (1.49-1.86) x 10 -9 mol/(L·d) under aerobic conditions, but Tc(IV) in simulated groundwater and redistilled water is not oxidized under anaerobic conditions. Under aerobic or anaerobic conditions the solubility of Tc(IV) oxide in simulated groundwater and redistilled water is equal on the whole after centrifugation or ultrafiltration. The

Generation of multigroup cross sections from ENDF/B-IV nuclear data library

International Nuclear Information System (INIS)

Chapot, J.L.C.; Thome Filho, Z.D.

1980-04-01

The generation of nuclear data compacted in energy groups is made. The nuclear data library ENDF/B-IV, Evaluated Nuclear Data File, and the new version of the codes ETOG-3 and ETOT-3 are utilized. The data obtained are compared with data from other sources. (L.F.) [pt

The Contribution of IVS to IGGOS

Science.gov (United States)

Nothnagel, A.

2002-05-01

Since its inauguration in 1999, the International VLBI Service for Geodesy and Astrometry has made significant progress in the coordination and utilisation of worldwide VLBI resources. Improving the visibility of the IVS components to a wider public in turn led to a higher motivation of the individuals to contribute to the global effort. Not only the number of IVS components but also their investments in terms of funds and manpower demonstrate the increased awareness of the importance of this joint international endeavour. The different demands of the users but also of the contributors often require the definition of priorities which are only being acceptable due to the existence of a strong umbrella organisation like the IVS. Significant progress has also been made in the area of routine data analysis and combination of results. By now, six IVS Analysis Centers provide the redundancy necessary for a robust combination of the results. The use of ITRF2000 station coordinates as the basis for the IVS combined EOP series is the most recent step towards the generation of a consistent chain from the quasi-inertial frame of radio sources to system Earth.

Synergistic Radiation Protective Effect of Purified Auricularia auricular-judae Polysaccharide (AAP IV with Grape Seed Procyanidins

Directory of Open Access Journals (Sweden)

Haina Bai

2014-12-01

Full Text Available The aim of this study was to investigate the synergistic antioxidant potential and protective effect of grape seed procyanidins (GSP in combination with Auricularia auricular-judae polysaccharides (AAP IV on radiation injury in splenocytes. Rat splenocyte irradiation resulted in significantly higher apoptosis rate, malondialdehyde (MDA (p < 0.005, reactive oxygen species (ROS (p < 0.01; cell viability, total superoxide dismutase (T-SOD (p < 0.01, catalase (CAT (p < 0.01, glutathione peroxidase (GSH-PX (p < 0.05, activity and glutathione (GSH (p < 0.01 levels were significantly reduced, compared with the control group. “GSP + AAP IV” treatment of rat splenocytes at doses of “GSP (0.3 μg/mL + AAP IV (50 μg/mL” displayed higher radioprotective and antioxidative effects than the administration of either GSP or AAP IV, as evident by lower levels of MDA (p < 0.001 concentration, as well as higher cell viability and T-SOD (p < 0.05, CAT (p < 0.005, GSH-PX (p < 0.01 and GSH content compared to the radiation group. In addition, in vivo studies have shown that “GSP + AAP IV” significantly ameliorated the decrease of spleen index (p < 0.005 and spleen GSH (p < 0.005 levels and significantly inhibited the increase of MDA (p < 0.005 levels of spleen with radiation-induced damage, compared with the non-treated group. The in vivo and in vitro results suggested that GSP and AAP IV have a synergistic protective effect against radiation-induced injury by improving the antioxidant and immunomodulation activities.

Growth and physicochemical properties of organometallic (DL)-trithioureatartrato-O1,O2,O3-cadmium(II) single crystals

Science.gov (United States)

Sathyamoorthy, K.; Vinothkumar, P.; Irshad Ahamed, J.; Murali Manohar, P.; Priya, M.; Liu, Jinghe

2018-04-01

Single crystals of organometallic (DL)-trithioureatartrato-O1,O2,O3-cadmium(II) (TUDLC) have been grown from methanol solution by using the slow evaporation of solvent growth technique. The lattice structure and crystalline perfection have been determined by carrying out single crystal X-ray diffraction and high resolution X-ray diffraction measurements. The grown crystal was characterized thermally and mechanically by carrying out thermo-gravimetric and micro hardness measurements. The linear and nonlinear optical characterizations were made by carrying out optical transmittance, surface laser damage threshold, particle size-dependent second harmonic generation (SHG) efficiency and photo conductivity measurements. The grown crystal was electrically characterized by carrying out frequency-dependent dielectric measurements. Chemical etching study was also carried out and the dislocation density was estimated. Results obtained in the present study indicate that the grown TUDLC crystal is optically transparent with lower cut-off wavelength 304 nm, mechanically soft, thermally stable up to 101 °C and NLO active with SHG efficiency 2.13 (in KDP unit). The grown crystal is found to have considerably large size, good crystalline perfection, large specific heat capacity, higher surface laser damage threshold and negative photoconductivity.

Purification, identification and molecular mechanism of two dipeptidyl peptidase IV (DPP-IV) inhibitory peptides from Antarctic krill (Euphausia superba) protein hydrolysate.

Science.gov (United States)

Ji, Wei; Zhang, Chaohua; Ji, Hongwu

2017-10-01

Dipeptidyl peptidase IV (DPP-IV) played an important role in blood glucose regulation. Inhibition of DPP-IV may improve glycemic control in diabetics by preventing the rapid breakdown of incretin hormones and prolonging their physiological action. In this study, Antarctic krill (Euphausia superba) protein was hydrolyzed using animal proteolytic enzymes. The hydrolysate was purified sequentially by ultrafiltration, gel filtration chromatography and reversed phase high-performance liquid chromatography (RP-HPLC). DPP-IV inhibitory activity of the fractions achieved from Antarctic krill protein was determined by DPP-IV screening reagent kit. Two purified peptides were identified by Xevo G2-XS QTof mass spectrometer (QTOF-MS). One peptide purified was Ala-Pro (AP) with IC 50 values of 0.0530mg/mL, the other Ile-Pro-Ala (IPA) with IC 50 values of 0.0370mg/mL. They both exhibited strong DPP-IV inhibitory activity. The molecular docking analysis revealed that DPP-IV inhibition by AP and IPA was mainly due to formation of a strong interaction surface force with the 91-96 and 101-105 amino acids of the DPP-IV. Our results suggested that the protein hydrolysate from Antarctic krill can be considered as a promising natural source of DPP-IV inhibitory peptides in the management of diabetes. Copyright © 2017 Elsevier B.V. All rights reserved.

On the Importance of the Nonequilibrium Ionization of Si IV and O IV and the Line of Sight in Solar Surges

Science.gov (United States)

Nóbrega-Siverio, D.; Moreno-Insertis, F.; Martínez-Sykora, J.

2018-05-01

Surges are ubiquitous cool ejections in the solar atmosphere that often appear associated with transient phenomena like UV bursts or coronal jets. Recent observations from the Interface Region Imaging Spectrograph show that surges, although traditionally related to chromospheric lines, can exhibit enhanced emission in Si IV with brighter spectral profiles than for the average transition region (TR). In this paper, we explain why surges are natural sites to show enhanced emissivity in TR lines. We performed 2.5D radiative-MHD numerical experiments using the Bifrost code including the nonequilibrium (NEQ) ionization of silicon and oxygen. A surge is obtained as a by-product of magnetic flux emergence; the TR enveloping the emerged domain is strongly affected by NEQ effects: assuming statistical equilibrium would produce an absence of Si IV and O IV ions in most of the region. Studying the properties of the surge plasma emitting in the Si IV λ1402.77 and O IV λ1401.16 lines, we find that (a) the timescales for the optically thin losses and heat conduction are very short, leading to departures from statistical equilibrium, and (b) the surge emits in Si IV more and has an emissivity ratio of Si IV to O IV larger than a standard TR. Using synthetic spectra, we conclude the importance of line-of-sight effects: given the involved geometry of the surge, the line of sight can cut the emitting layer at small angles and/or cross it multiple times, causing prominent, spatially intermittent brightenings in both Si IV and O IV.

Is there any association between National Institute of Health category IV prostatitis and prostate-specific antigen levels in patients with low-risk localized prostate cancer?

Science.gov (United States)

Doluoglu, Omer Gokhan; Ceylan, Cavit; Kilinc, Fatih; Gazel, Eymen; Resorlu, Berkan; Odabas, Oner

2016-01-01

We investigated the association between National Institute of Health category IV prostatitis and prostate-specific antigen levels in patients with low-risk localized prostate cancer. The data of 440 patients who had undergone prostate biopsies due to high PSA levels and suspicious digital rectal examination findings were reviewed retrospectively. The patients were divided into two groups based on the presence of accompanying NIH IV prostatitis. The exclusion criteria were as follows: Gleason score>6, PSA level>20ng/mL, >2 positive cores, >50% cancerous tissue per biopsy, urinary tract infection, urological interventions at least 1 week previously (cystoscopy, urethral catheterization, or similar procedure), history of prostate biopsy, and history of androgen or 5-alpha reductase use. All patient's age, total PSA and free PSA levels, ratio of free to total PSA, PSA density and prostate volume were recorded. In total, 101 patients were included in the study. Histopathological examination revealed only PCa in 78 (77.2%) patients and PCa+NIH IV prostatitis in 23 (22.7%) patients. The median total PSA level was 7.4 (3.5-20.0) ng/mL in the PCa+NIH IV prostatitis group and 6.5 (0.6-20.0) ng/mL in the PCa group (p=0.67). The PSA level was≤10ng/mL in 60 (76.9%) patients in the PCa group and in 16 (69.6%) patients in the PCa+NIH IV prostatitis group (p=0.32). Our study showed no statistically significant difference in PSA levels between patients with and without NIH IV prostatitis accompanying PCa.

Synthesis and spectroscopic studies of mono- and dicyclopentadienyl titanium (IV)/zirconium (IV) derivatives with S-alkyl-β-N-(acetylferrocenyl) methylene dithiocarbazates

International Nuclear Information System (INIS)

Srivastava, B.K.; Srivastava, S.K.; Pandey, O.P.; Sengupta, S.K.

1996-01-01

The reactions of dicyclopentadienyl titanium (IV)/zirconium (IV) dichloride and monocyclopentadienyl titanium (IV) trichloride with thio-Schiff bases (LH), derived by the condensation of S-methyl/ethyl/propyl dithiocarbazic acid and acetylferrocene have been carried out under inert atmosphere and anhydrous conditions in different stoichiometric ratios. Complexes of the types Cp 2 M(L)Cl, CpM(L) 2 Cl (M= Ti(IV) or Zr(IV)), CpTi(L)Cl 2 , CpTi(L) 2 Cl are synthesised and characterized by elemental analysis, electrical conductance, magnetic moment and spectral (electronic, infrared, 1 H NMR) data. (author). 12 refs., 1 tab

Clinical experience with radiation enhancement by hyperbaric oxygen in children with recurrent neuroblastoma stage IV

International Nuclear Information System (INIS)

Voute, P.A.; Kleij, A.J. van der; De Kraker, J.; Hoefnagel, C.A.; Tiel-van Buul, M.M.C.; Gennip, H. van

1995-01-01

The high risk group of patients with neuroblastoma are children over 1 year with stage IV disease. Most series report a maximum of 20% survival at 5 years. For recurrent neuroblastoma stage IV, cure rates are not reported in the literature, but they are nil. Any treatment for recurrent neuroblastoma stage IV remains a therapeutic dilemma. The outcome of radiation therapy is variable. A very important factor in tumour treatment remains tumour hypoxia, and others, such as metabolic factors, also play a role. Combined application of radiation modifiers may influence the final survival rate. In an attempt to improve the survival of recurrent neuroblastoma stage IV, hyperbaric oxygen and radioionated meta-Iodobenzylguanidine (MIBG) was used in a clinical setting. Although survival may not be used as a determinant of the usefulness of a treatment for stage IV neuroblastoma disease, a better one is not available. In this study, at 28 months, a cumulative probability of survival of 32% was recorded for patients treated with [ 131 I]MIBG and hyperbaric oxygen compared to 12% for [ 131 I]MIBG treatment alone. These preliminary results are promising but further studies are needed to reveal substantial therapeutic gain. (Author)

SAGE IV Pathfinder

Data.gov (United States)

National Aeronautics and Space Administration — Utilizing a unique, new occultation technique involving imaging, the SAGE IV concept will meet or exceed the quality of previous SAGE measurements at a small...

Facile and reversible formation of iron(III)-oxo-cerium(IV) adducts from nonheme oxoiron(IV) complexes and cerium(III)

Energy Technology Data Exchange (ETDEWEB)

Draksharapu, Apparao; Rasheed, Waqas; Klein, Johannes E.M.N.; Que, Lawrence Jr. [Department of Chemistry and Center for Metals in Biocatalysis, University of Minnesota, Minneapolis, MN (United States)

2017-07-24

Ceric ammonium nitrate (CAN) or Ce{sup IV}(NH{sub 4}){sub 2}(NO{sub 3}){sub 6} is often used in artificial water oxidation and generally considered to be an outer-sphere oxidant. Herein we report the spectroscopic and crystallographic characterization of [(N4Py)Fe{sup III}-O-Ce{sup IV}(OH{sub 2})(NO{sub 3}){sub 4}]{sup +} (3), a complex obtained from the reaction of [(N4Py)Fe{sup II}(NCMe)]{sup 2+} with 2 equiv CAN or [(N4Py)Fe{sup IV}=O]{sup 2+} (2) with Ce{sup III}(NO{sub 3}){sub 3} in MeCN. Surprisingly, the formation of 3 is reversible, the position of the equilibrium being dependent on the MeCN/water ratio of the solvent. These results suggest that the Fe{sup IV} and Ce{sup IV} centers have comparable reduction potentials. Moreover, the equilibrium entails a change in iron spin state, from S=1 Fe{sup IV} in 2 to S=5/2 in 3, which is found to be facile despite the formal spin-forbidden nature of this process. This observation suggests that Fe{sup IV}=O complexes may avail of reaction pathways involving multiple spin states having little or no barrier. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Plasma metabolism of apolipoprotein A-IV in humans

International Nuclear Information System (INIS)

Ghiselli, G.; Krishnan, S.; Beigel, Y.; Gotto, A.M. Jr.

1986-01-01

As assessed by molecular sieve chromatography and quantitation by a specific radioimmunoassay, apoA-IV is associated in plasma with the triglyceride-rich lipoproteins, to a high density lipoprotein (HDL) subfraction of smaller size than HDL3, and to the plasma lipoprotein-free fraction (LFF). In this study, the turnover of apoA-IV associated to the triglyceride-rich lipoproteins, HDL and LFF was investigated in vivo in normal volunteers. Human apoA-IV isolated from the thoracic duct lymph chylomicrons was radioiodinated and incubated with plasma withdrawn from normal volunteers after a fatty meal. Radioiodinated apoA-IV-labeled triglyceride-rich lipoproteins, HDL, and LFF were then isolated by chromatography on an AcA 34 column. Shortly after the injection of the radioiodinated apoA-IV-labeled triglyceride-rich lipoproteins, most of the radioactivity could be recovered in the HDL and LFF column fractions. On the other hand, when radioiodinated apoA-IV-labeled HDL or LFF were injected, the radioactivity remained with the originally injected fractions at all times. The residence time in plasma of 125 I-labeled apoA-IV, when injected in association with HDL or LFF, was 1.61 and 0.55 days, respectively. When 125 I-labeled apoA-IV was injected as a free protein, the radioactivity distributed rapidly among the three plasma pools in proportion to their mass. The overall fractional catabolic rate of apoA-IV in plasma was measured in the three normal subjects and averaged 1.56 pools per day. The mean degradation rate of apoA-IV was 8.69 mg/kg X day

Sorption properties of Th(IV) on the raw diatomite-Effects of contact time, pH, ionic strength and temperature

Energy Technology Data Exchange (ETDEWEB)

Sheng Guodong; Hu Jun [Institute of Plasma Physics, Chinese Academy of Sciences, P.O. Box 1126, Hefei 230031 (China); Wang Xiangke [Institute of Plasma Physics, Chinese Academy of Sciences, P.O. Box 1126, Hefei 230031 (China)], E-mail: xkwang@ipp.ac.cn

2008-10-15

Diatomite has a number of unique physicochemical properties and has diversified industrial uses. Natural diatomite has been tested as a potential sorbent for the removal of Th(IV) from aqueous solutions. The results indicate that sorption of Th(IV) is strongly dependent on ionic strength at pH<3, and is independent of ionic strength at pH>3. Outer-sphere complexation or ion exchange may be the main sorption mechanism of Th(IV) to diatomite at low pH values, whereas the sorption of Th(IV) at pH>3 is mainly dominated by inner-sphere complexation or precipitation. The competition for Th(IV) between aqueous or surface adsorbed anions (e.g., herein ClO{sub 4}{sup -}, NO{sub 3}{sup -} and Cl{sup -}) and surface functional groups of diatomite is important for Th(IV) sorption. The thermodynamic data ({delta}H{sup 0}, {delta}S{sup 0}, {delta}G{sup 0}) are calculated from the temperature-dependent sorption isotherms. The results suggest that sorption process of Th(IV) on diatomite is spontaneous and endothermic.

Organometallic synthesis of ZnO nanoparticles for gas sensing: towards selectivity through nanoparticles morphology

Energy Technology Data Exchange (ETDEWEB)

Ryzhikov, Andrey; Jońca, Justyna; Kahn, Myrtil; Fajerwerg, Katia [Laboratoire de Chimie de Coordination (LCC), CNRS (France); Chaudret, Bruno [Laboratoire de Physique et de Chimie de Nano-objets (LPCNO), INSA, UPS, CNRS (France); Chapelle, Audrey [Laboratoire d’Analyse et d’Architecture des Systèmes (LAAS), CNRS (France); Ménini, Philippe [Université Toulouse III, Paul Sabatier (France); Shim, Chang Hyun [Laboratoire d’Analyse et d’Architecture des Systèmes (LAAS), CNRS (France); Gaudon, Alain [Alpha M.O.S. SA (France); Fau, Pierre, E-mail: pierre.fau@lcc-toulouse.fr [Laboratoire de Chimie de Coordination (LCC), CNRS (France)

2015-07-15

ZnO nanoparticles (NP) with different morphologies such as nanorods (NR), isotropic NP, and cloud-like (CL) structures have been synthesized by an organometallic route. The prepared ZnO nanostructures have been deposited on miniaturized silicon gas sensor substrates by an inkjet method, and their responses to CO, C{sub 3}H{sub 8}, and NH{sub 3} gases have been studied at different operating temperatures (340–500 °C) and relative humidity of 50 %. It is noteworthy that the morphology of the nanostructure of the sensitive layer is maintained after thermal treatment. The morphology of ZnO NP significantly influences the sensor response level and their selectivity properties to reducing gases. Among the three different ZnO types, sensors prepared with NR show the highest response to both CO and C{sub 3}H{sub 8}. Sensors made of isotropic NP and CL structures show a lower but similar response to CO. From all investigated nanostructures, sensors made of CL structures show the weakest response to C{sub 3}H{sub 8}. With NH{sub 3} gas, no effect of the morphology of the ZnO sensitive layer has been evidenced. These different responses highlight the important role of the nanostructure of the ZnO sensitive layer and the nature of the target gas on the detection properties of the sensors. Graphical Abstract: Three different ZnO nanoparticles morphologies (cloud-like, dots, rods) have been employed as sensitive layers in chemoresistive sensors for the selective detection of CO, C{sub 3}H{sub 8} and NH{sub 3}.

Palliative treatment with radiation-emitting metallic stents in unresectable Bismuth type III or IV hilar cholangiocarcinoma.

Science.gov (United States)

Lu, Jian; Guo, Jin-He; Zhu, Hai-Dong; Zhu, Guang-Yu; Wang, Yong; Zhang, Qi; Chen, Li; Wang, Chao; Pan, Tian-Fan; Teng, Gao-Jun

2017-01-01

The emerging data for stenting in combination with brachytherapy in unresectable hilar cholangiocarcinoma are encouraging. The aim of this study was to evaluate the efficacy and safety of radiation-emitting metallic stents (REMS) for unresectable Bismuth type III or IV hilar cholangiocarcinoma. Consecutive patients who underwent percutaneous placement with REMS or uncovered self-expandable metallic stent (SEMS) for unresectable Bismuth type III or IV hilar cholangiocarcinoma between September 2011 and April 2016 were identified into this retrospective study. Data on patient demographics and overall survival, functional success, stent patency and complications were collected at the authors' hospital. A total of 59 patients were included: 33 (55.9%) in the REMS group and 26 (44.1%) in the SEMS group. The median overall survival was 338 days in the REMS group and 141 days in the SEMS group (philar cholangiocarcinoma, and seems to prolong survival as well as patency of stent in these patients.

Collagen type IV at the fetal-maternal interface

OpenAIRE

Oefner, C M; Sharkey, A; Gardner, L; Critchley, H; Oyen, M; Moffett, A

2015-01-01

Introduction Extracellular matrix proteins play a crucial role in influencing the invasion of trophoblast cells. However the role of collagens and collagen type IV (col-IV) in particular at the implantation site is not clear. Methods Immunohistochemistry was used to determine the distribution of collagen types I, III, IV and VI in endometrium and decidua during the menstrual cycle and the first trimester of pregnancy. Expression of col-IV alpha chains during the reproductive cycle ...

Organometallic chemistry of the f-elements: toward new development: cyanide ligand of f-elements

International Nuclear Information System (INIS)

Herve, Alexandre

2014-01-01

The cyanide ligand is one of the most widely used ligands in coordination chemistry of d-transition metals. The low number of cyanide complexes of lanthanides and actinides incited us to develop this field for reactivity and theoretical aspects, and also for their potentially interesting physicochemical properties. In this Ph.D., we investigated the reactivity of [An(Cot) 2 ] (An = Th, U ; Cot = C 8 H 8 2- ) and [M f (N*) 3 ] q+ (q = 0, 1; M f = Ce, U ; N* = -N(SiMe 3 ) 2 ) precursors toward the cyanide ion. The first chapter is dedicated to the synthesis and characterization of trivalent f-elements cyanide complexes [M f (N*) 3 (CN)][M], [M f (N*) 3 (CN) 2 ][M] 2 et [M f (N*) 2 (CN) 3 ][M] 2 and the cyanido-bridged binuclear compounds [{M f (N*) 3 } 2 (μ-CN)][M] (M = NR 4 , K(18-C-6)). Crystals of the bis(cyanido) uranium and cerium complexes are not isostructural since the data revealed distinct coordination modes of the CN group, through the C or N atom to the U 3+ or Ce 3+ metal center, respectively. In chapter 2, the novel silyl-amide uranium(IV) precursor [U(N*) 3 ][BPh 4 ] has been isolated, and proved to be useful for the synthesis of the cationic species [{U(N*) 3 } 2 (μ-CN)][BPh 4 ] and the neutral monocyanide [M f (N*) 3 (CN)] and anionic bis(cyanide) [M f (N*) 3 (CN) 2 ][M] derivatives. Here again, the X-ray data reveal the uncommon N coordination mode of the CN group to the U(IV) center. This global differentiation has been analyzed using density functional theory calculations. The observed preferential coordination of the cyanide ion in Ce(III)-NC, U(III)-CN and U(IV)-NC is corroborated by energetic considerations and by the comparison of DFT optimized geometries with the true crystal structures. Finally, the recent discovery of the first bent 'uranocene' species, eg [U(Cot) 2 (CN)] - , led us to compare the reactivity of the actinocenes [An(Cot) 2 ] (Th, U) in order to understand the effect of the metal electron configuration

On the stabilization of NbV-solutions by ZrIV and HfIV

International Nuclear Information System (INIS)

Soerensen, E.; Bjerre, A.B.

1987-11-01

Niobium cannot be separated from zirconium or hafnium when these elements occur together in solution with common anions such as Cl- and SO 4 --. This is ascribed to the copolymerisation of Nb v and the hydrolyzed ionic species of Zr IV v and Hf IV by which the colloidal particles are masked as Zr- and Hf-compounds. In HCl the particles are positively charged as opposed to when they are in sulphate solution where the Zr- and Hf- sulphate complexes confer a negative charge. The two cases are considered separately. (author)

Growth and optical characteristics of Tm-doped AlGaN layer grown by organometallic vapor phase epitaxy

Science.gov (United States)

Takatsu, J.; Fuji, R.; Tatebayashi, J.; Timmerman, D.; Lesage, A.; Gregorkiewicz, T.; Fujiwara, Y.

2018-04-01

We report on the growth and optical properties of Tm-doped AlGaN layers by organometallic vapor phase epitaxy (OMVPE). The morphological and optical properties of Tm-doped GaN (GaN:Tm) and Tm-doped AlGaN (AlGaN:Tm) were investigated by Nomarski differential interference contrast microscopy and photoluminescence (PL) characterization. Nomarski images reveal an increase of surface roughness upon doping Tm into both GaN and AlGaN layers. The PL characterization of GaN:Tm shows emission in the near-infrared range originating from intra-4f shell transitions of Tm3+ ions. In contrast, AlGaN:Tm also exhibits blue light emission from Tm3+ ions. In that case, the wider band gap of the AlGaN host allows energy transfer to higher states of the Tm3+ ions. With time-resolved PL measurements, we could distinguish three types of luminescent sites of Tm3+ in the AlGaN:Tm layer, having different decay times. Our results confirm that Tm ions can be doped into GaN and AlGaN by OMVPE, and show potential for the fabrication of novel high-color-purity blue light emitting diodes.

Theoretical study of the structure and the reactivity of lanthanides and actinides complexes: Activation of small molecules

International Nuclear Information System (INIS)

Castro, Ludovic

2012-01-01

This PhD thesis presents a theoretical study of the structure and the reactivity of organometallic complexes of lanthanides and actinides at the DFT level. After a general introduction of the methods of theoretical chemistry used for the modelling of organometallic reactivity, a study of the participation of 5f electrons in uranium(IV) reactivity is presented. The results show that the large core ECP can be used safely in order to treat the actinide and so that 5f electrons can be treated implicitly. Then, the reactivity of uranium(III) complexes with CO 2 and other analogous molecules is studied via multiple examples from the literature. These studies show that the steric nature of the ligands is very important and controls the reactivity. This study is then extended to samarium(II) complex. Eventually, the reactivity of a hydride complex of cerium(III) with MeOSO 2 Me is investigated and theoretical results are compared with experimental observations. (author) [fr

The DSM-IV nosology of chronic pain: a comparison of pain disorder and multiple somatization syndrome.

Science.gov (United States)

Hiller, W; Heuser, J; Fichter, M M

2000-01-01

This study evaluates the classification of pain from the perspective of the DSM-IV system. Of 60 in-patients with long-standing and disabling pain syndromes, 29 with pain disorder (PD) and 31 with pain as part of a multiple somatization syndrome (MSS) were compared before and after a structured cognitive-behavioral treatment. It was hypothesized that MSS patients show more psychological distress, are more severely disabled, and respond less to the treatment. Both groups were similar with respect to sociodemographic status, history of pain symptomatology and comorbidity with DSM-IV mental disorders. The results show that MSS patients had higher levels of affective and sensoric pain sensations as well as more pain-related disabilities. They were also less successful during treatment to reduce their pain-related depression and anxiety. Psychosocial functioning was improved only by PD patients, but remained almost unchanged in the MSS group. However, there were no group differences concerning general depression and hypochondriasis, dysfunctional attitudes towards body and health, and use of pain coping strategies. It is concluded that the DSM-IV distinction between 'pure' pain disorder and syndromes involving pain plus multiple somatoform symptoms cannot generally be confirmed, but further studies of validation are needed. Copyright 2000 European Federation of Chapters of the International Association for the Study of Pain.

Direct Observation of a Nonheme Iron(IV)–Oxo Complex That Mediates Aromatic C–F Hydroxylation

OpenAIRE

Sahu, Sumit; Quesne, Matthew G.; Davies, Casey G.; Dürr, Maximilian; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; de Visser, Sam P.; Goldberg, David P.

2014-01-01

The synthesis of a pentadentate ligand with strategically designed fluorinated arene groups in the second coordination sphere of a nonheme iron center is reported. The oxidatively resistant fluorine substituents allow for the trapping and characterization of an FeIV(O) complex at −20 °C. Upon warming of the FeIV(O) complex, an unprecedented arene C–F hydroxylation reaction occurs. Computational studies support the finding that substrate orientation is a critical factor in the observed reactiv...

Market opportunities: U.S. - PADD IV

International Nuclear Information System (INIS)

Garner, R.P.

1997-01-01

The current supply and demand balance, the short and long term expectations and marketing opportunities for Canadian crude oil in PADD IV, the Rocky Mountain region in the US, were reviewed. It was suggested that market opportunities in PADD IV are derived from the following four factors: (1) crude oil declines within that area, (2) federal regulations, (3) competitive presence with markets, and (4) population growth. The overall conclusion was that Canadian producers and PADD IV refiners will be looking at an ever-growing relationship based on freight equalized world crude prices. 8 tabs., 5 figs

Directed synthesis of crystalline plutonium (III) and (IV) oxalates: accessing redox-controlled separations in acidic solutions

International Nuclear Information System (INIS)

Runde, Wolfgang; Brodnax, Lia F.; Goff, George S.; Bean, Amanda C.; Scott, Brian L.

2009-01-01

Both binary and ternary solid complexes of Pu(III) and Pu(IV) oxalates have been previously reported in the literature. However, uncertainties regarding the coordination chemistry and the extent of hydration of some compounds remain mainly because of the absence of any crystallographic characterization. Single crystals of hydrated oxalates of Pu(III), Pu 2 (C 2 O 4 ) 3 (H 2 O) 6 ·3H 2 O (I) and Pu(IV), KPu(C 2 O 4 ) 2 (OH)·2.5H 2 O (II), were synthesized under moderate hydrothermal conditions and characterized by single crystal X-ray diffraction studies. Compounds I and II are the first plutonium(III) or (IV) oxalate compounds to be structurally characterized via single crystal X-ray diffraction studies. Crystallographic data for I: monoclinic, space group P21/c, a = 11.246(3) A, b = 9.610(3) A, c = 10.315(3) A, Z = 4 and II: monoclinic, space group C2/c, a = 23.234(14) A, b = 7.502(4) A, c = 13.029(7) A, Z = 8.

Bipodal surface organometallic complexes with surface N-donor ligands and application to the catalytic cleavage of C-H and C-C bonds in n -Butane

KAUST Repository

Bendjeriou-Sedjerari, Anissa

2013-11-27

We present a new generation of "true vicinal" functions well-distributed on the inner surface of SBA15: [(Sî - Si-NH 2)(≡Si-OH)] (1) and [(≡Si-NH2)2] (2). From these amine-modified SBA15s, two new well-defined surface organometallic species [(≡Si-NH-)(≡Si-O-)]Zr(CH2tBu) 2 (3) and [(≡Si-NH-)2]Zr(CH2tBu) 2 (4) have been obtained by reaction with Zr(CH2tBu) 4. The surfaces were characterized with 2D multiple-quantum 1H-1H NMR and infrared spectroscopies. Energy-filtered transmission electron microscopy (EFTEM), mass balance, and elemental analysis unambiguously proved that Zr(CH2tBu)4 reacts with these vicinal amine-modified surfaces to give mainly bipodal bis(neopentyl)zirconium complexes (3) and (4), uniformly distributed in the channels of SBA15. (3) and (4) react with hydrogen to give the homologous hydrides (5) and (6). Hydrogenolysis of n-butane catalyzed by these hydrides was carried out at low temperature (100 C) and low pressure (1 atm). While (6) exhibits a bis(silylamido)zirconium bishydride, [(≡Si-NH-)2]Zr(H) 2 (6a) (60%), and a bis(silylamido)silyloxozirconium monohydride, [(≡Si-NH-)2(≡Si-O-)]ZrH (6b) (40%), (5) displays a new surface organometallic complex characterized by an 1H NMR signal at 14.46 ppm. The latter is assigned to a (silylimido)(silyloxo)zirconium monohydride, [(≡Si-Nî)(≡Si-O-)]ZrH (5b) (30%), coexistent with a (silylamido)(silyloxo)zirconium bishydride, [(≡Si-NH-)(≡Si-O-)] Zr(H)2 (5a) (45%), and a silylamidobis(silyloxo)zirconium monohydride, [(≡Si-NH-)(≡Si-O-)2]ZrH (5c) (25%). Surprisingly, nitrogen surface ligands possess catalytic properties already encountered with silicon oxide surfaces, but interestingly, catalyst (5) with chelating [N,O] shows better activity than (6) with chelating [N,N]. © 2013 American Chemical Society.

Bipodal surface organometallic complexes with surface N-donor ligands and application to the catalytic cleavage of C-H and C-C bonds in n -Butane

KAUST Repository

Bendjeriou-Sedjerari, Anissa; Azzi, Joachim; Abou-Hamad, Edy; Anjum, Dalaver H.; Pasha, Fahran A.; Huang, Kuo-Wei; Emsley, Lyndon; Basset, Jean-Marie

2013-01-01

We present a new generation of "true vicinal" functions well-distributed on the inner surface of SBA15: [(Sî - Si-NH 2)(≡Si-OH)] (1) and [(≡Si-NH2)2] (2). From these amine-modified SBA15s, two new well-defined surface organometallic species [(≡Si-NH-)(≡Si-O-)]Zr(CH2tBu) 2 (3) and [(≡Si-NH-)2]Zr(CH2tBu) 2 (4) have been obtained by reaction with Zr(CH2tBu) 4. The surfaces were characterized with 2D multiple-quantum 1H-1H NMR and infrared spectroscopies. Energy-filtered transmission electron microscopy (EFTEM), mass balance, and elemental analysis unambiguously proved that Zr(CH2tBu)4 reacts with these vicinal amine-modified surfaces to give mainly bipodal bis(neopentyl)zirconium complexes (3) and (4), uniformly distributed in the channels of SBA15. (3) and (4) react with hydrogen to give the homologous hydrides (5) and (6). Hydrogenolysis of n-butane catalyzed by these hydrides was carried out at low temperature (100 C) and low pressure (1 atm). While (6) exhibits a bis(silylamido)zirconium bishydride, [(≡Si-NH-)2]Zr(H) 2 (6a) (60%), and a bis(silylamido)silyloxozirconium monohydride, [(≡Si-NH-)2(≡Si-O-)]ZrH (6b) (40%), (5) displays a new surface organometallic complex characterized by an 1H NMR signal at 14.46 ppm. The latter is assigned to a (silylimido)(silyloxo)zirconium monohydride, [(≡Si-Nî)(≡Si-O-)]ZrH (5b) (30%), coexistent with a (silylamido)(silyloxo)zirconium bishydride, [(≡Si-NH-)(≡Si-O-)] Zr(H)2 (5a) (45%), and a silylamidobis(silyloxo)zirconium monohydride, [(≡Si-NH-)(≡Si-O-)2]ZrH (5c) (25%). Surprisingly, nitrogen surface ligands possess catalytic properties already encountered with silicon oxide surfaces, but interestingly, catalyst (5) with chelating [N,O] shows better activity than (6) with chelating [N,N]. © 2013 American Chemical Society.

Possible superconductivity in the Bismuth IV solid phase under pressure.

Science.gov (United States)

Valladares, Ariel A; Rodríguez, Isaías; Hinojosa-Romero, David; Valladares, Alexander; Valladares, Renela M

2018-04-13

The first successful theory of superconductivity was the one proposed by Bardeen, Cooper and Schrieffer in 1957. This breakthrough fostered a remarkable growth of the field that propitiated progress and questionings, generating alternative theories to explain specific phenomena. For example, it has been argued that Bismuth, being a semimetal with a low number of carriers, does not comply with the basic hypotheses underlying BCS and therefore a different approach should be considered. Nevertheless, in 2016 based on BCS we put forth a prediction that Bi at ambient pressure becomes a superconductor at 1.3 mK. A year later an experimental group corroborated that in fact Bi is a superconductor with a transition temperature of 0.53 mK, a result that eluded previous work. So, since Bi is superconductive in almost all the different structures and phases, the question is why Bi-IV has been elusive and has not been found yet to superconduct? Here we present a study of the electronic and vibrational properties of Bi-IV and infer its possible superconductivity using a BCS approach. We predict that if the Bi-IV phase structure were cooled down to liquid helium temperatures it would also superconduct at a T c of 4.25 K.

Report for 2011 from the Bordeaux IVS Analysis Center

Science.gov (United States)

Charlot, Patrick; Bellanger, Antoine; Bourda, Geraldine; Collioud, Arnaud; Baudry, Alain

2012-01-01

This report summarizes the activities of the Bordeaux IVS Analysis Center during the year 2011. The work focused on (i) regular analysis of the IVS-R1 and IVS-R4 sessions with the GINS software package; (ii) systematic VLBI imaging of the RDV sessions and calculation of the corresponding source structure index and compactness values; (iii) imaging of the sources observed during the 2009 International Year of Astronomy IVS observing session; and (iv) continuation of our VLBI observational program to identify optically-bright radio sources suitable for the link with the future Gaia frame. Also of importance is the enhancement of the IVS LiveWeb site which now comprises all IVS sessions back to 2003, allowing one to search past observations for session-specific information (e.g. sources or stations).

Adsorption of thorium(IV) from aqueous solution by non-living biomass of mangrove endophytic fungus Fusarium sp. ZZF51

International Nuclear Information System (INIS)

Yang, S.K.; Tan, N.; Yan, X.M.; Chen, F.; Lin, Y.C.

2013-01-01

The adsorption of thorium(IV) from aqueous solution by mangrove endophytic fungus Fusarium sp. ZZF51 is studied by using a batch experiments. The parameters that affect the thorium(IV) sorption, such as solution pH, initial thorium(IV) concentration, contact time, and biomass dose, are discussed in detail. The maximum biosorption of thorium(IV) and the equilibrium sorption capacity are found to be 91 ± 1 % and 11.35 mg g -1 respectively at pH 3.0, contact time 20 min, initial thorium(IV) concentration 50 mg L -1 and non-living biomass dose 4.0 g L -1 . Kinetics data follow the pseudo-second-order model and equilibrium data agree with the Temkin isotherm model very well. FT-IR analysis indicates that hydroxyl and carbonyl groups play an important role in the biosorption process. (author)

The synthesis of CdSe quantum dots with carboxyl group and study on their optical characteristics

International Nuclear Information System (INIS)

Ye, Chen; Park, Sangjoon; Kim, Jongsung

2009-01-01

Quantum dots are nanocrystal semiconductors which attract lots of research interests due to their peculiar optical properties. CdSe/ZnS quantum dots have been synthesized via pyrolysis of organometallic reagents. The color of the quantum dot changes from yellow-green to red as their size increases with reaction time. Photoluminescence quantum efficiency of CdSe quantum dots have been enhanced by passivating the surface of CdSe quantum dots with ZnS layers. Quantum dots are nanocrystal semiconductors which attract lots of research interests due to their peculiar optical properties. CdSe/ZnS quantum dots have been synthesized via pyrolysis of organometallic reagents. The color of the quantum dot changes from yellow-green to red as their size increases with reaction time. Photoluminescence quantum efficiency of CdSe quantum dots have been enhanced by passivating the surface of CdSe quantum dots with ZnS layers. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Characterisation of Australian MRSA strains ST75- and ST883-MRSA-IV and analysis of their accessory gene regulator locus.

Directory of Open Access Journals (Sweden)

Stefan Monecke

Full Text Available BACKGROUND: Community-acquired methicillin-resistant Staphylococcus aureus have become a major problem in Australia. These strains have now been isolated throughout Australia including remote Indigenous communities that have had minimal exposure to healthcare facilities. Some of these strains, belonging to sequence types ST75 and ST883, have previously been reported to harbour highly divergent alleles of the housekeeping genes used in multilocus sequence typing. METHODOLOGY/PRINCIPAL FINDINGS: ST75-MRSA-IV and ST883-MRSA-IV isolates were characterised in detail. Morphological features as well as 16S sequences were identical to other S. aureus strains. Although a partial rnpB gene sequence was not identical to previously known S. aureus sequences, it was found to be more closely related to S. aureus than to other staphylococci. Isolates also were screened using diagnostic DNA microarrays. These isolates yielded hybridisation results atypical for S. aureus. Primer directed amplification assays failed to detect species markers (femA, katA, sbi, spa. However, arbitrarily primed amplification indicated the presence of unknown alleles of these genes. Isolates could not be assigned to capsule types 1, 5 or 8. The allelic group of the accessory gene regulator (agr locus was not determinable. Sequencing of a region of agrB, agrC and agrD (approximately 2,100 bp revealed a divergent sequence. However, this sequence is more related to S. aureus agr alleles I and IV than to agr sequences from other Staphylococcus species. The predicted auto-inducing peptide (AIP sequence of ST75 was identical to that of agr group I, while the predicted AIP sequence of ST883 was identical to agr group IV. CONCLUSIONS/SIGNIFICANCE: The genetic properties of ST75/ST883-MRSA may be due to a series of evolutionary events in ancient insulated S. aureus strains including a convergent evolution leading to agr group I- or IV-like AIP sequences and a recent acquisition of SCCmec IV

Free-format RPG IV

CERN Document Server

Martin, Jim

2013-01-01

This how-to guide offers a concise and thorough introduction to the increased productivity, better readability, and easier program maintenance that comes with the free-format style of programming in RPG IV. Although free-format information is available in IBM manuals, it is not separated from everything else, thereby requiring hours of tedious research to track down the information needed. This book provides everything one needs to know to write RPG IV in the free-format style, and author Jim Martin not only teaches rules and syntax but also explains how this new style of coding has the pot

78 FR 21491 - DeltaPoint Capital IV, L.P., DeltaPoint Capital IV (New York), L.P.; Notice Seeking Exemption...

Science.gov (United States)

2013-04-10

... SMALL BUSINESS ADMINISTRATION [License No. 02/02-0662, 02/02-0661] DeltaPoint Capital IV, L.P., DeltaPoint Capital IV (New York), L.P.; Notice Seeking Exemption Under Section 312 of the Small Business Investment Act, Conflicts of Interest Notice is hereby given that DeltaPoint Capital IV, L.P. and DeltaPoint...

Thermodynamics of the complex formation between thorium(IV) and some polydentate ligands in aqueous solution

International Nuclear Information System (INIS)

Di Bernado, P.; Cassol, A.; Tomat, G.; Bismondo, A.; Magon, L.

1983-01-01

The changes in free energy, enthalpy, and entropy for the formation of thorium(IV)-oxydiacetate, -iminodiacetate, -thiodiacetate, and -succinate complexes have been determined by potentiometric and calorimetric titrations at 25 deg C in aqueous 1 mol dm - 3 sodium perchlorate. All the ligands form 1:1 chelate complexes with the thorium(IV) ion the stability of which is dependent on both the chelate ring dimensions and the nature of the donor group in the chain. The order of the relative stabilities (iminodiacetate > oxydiacetate > thiodiacetate > succinate) is mainly dependent on the reaction enthalpies, since the δS values are close to each other. In the thorium(IV)-oxydiacetate system the maximum number of three ligands for every metal ion was reached. Because of precipitation of solid compounds in the other systems, it was only possible to define complexes with a lower number of co-ordinated ligands: two for succinate and thiodiacetate, and one for iminodiacetate. Owing to the lower stability of the chelate ring of thiodiacetate and succinate complexes and the high basicity of the amino-group of iminodiacetate, these ligands form also unchelated protonated complexes. (author)

Dipeptidyl peptidase IV inhibitory activity of protein hydrolyzates ...

African Journals Online (AJOL)

Background: Type 2 diabetes is a chronic metabolic disorder. Recently, dipeptidyl peptidase IV (DPP-IV) inhibitors that protect incretin hormones from being cleaved by DPP-IV have been used as drugs to control glycemia. This study examined the potential hypoglycemic effect of amaranth grain storage protein hydrolyzates ...

Group-IV midinfrared plasmonics

Science.gov (United States)

Biagioni, Paolo; Frigerio, Jacopo; Samarelli, Antonio; Gallacher, Kevin; Baldassarre, Leonetta; Sakat, Emilie; Calandrini, Eugenio; Millar, Ross W.; Giliberti, Valeria; Isella, Giovanni; Paul, Douglas J.; Ortolani, Michele

2015-01-01

The use of heavily doped semiconductors to achieve plasma frequencies in the mid-IR has been recently proposed as a promising way to obtain high-quality and tunable plasmonic materials. We introduce a plasmonic platform based on epitaxial n-type Ge grown on standard Si wafers by means of low-energy plasma-enhanced chemical vapor deposition. Due to the large carrier concentration achieved with P dopants and to the compatibility with the existing CMOS technology, SiGe plasmonics hold promises for mid-IR applications in optoelectronics, IR detection, sensing, and light harvesting. As a representative example, we show simulations of mid-IR plasmonic waveguides based on the experimentally retrieved dielectric constants of the grown materials.

A [4Fe-4S]-Fe(CO)(CN)-l-cysteine intermediate is the first organometallic precursor in [FeFe] hydrogenase H-cluster bioassembly

Science.gov (United States)

Rao, Guodong; Tao, Lizhi; Suess, Daniel L. M.; Britt, R. David

2018-05-01

Biosynthesis of the [FeFe] hydrogenase active site (the 'H-cluster') requires the interplay of multiple proteins and small molecules. Among them, the radical S-adenosylmethionine enzyme HydG, a tyrosine lyase, has been proposed to generate a complex that contains an Fe(CO)2(CN) moiety that is eventually incorporated into the H-cluster. Here we describe the characterization of an intermediate in the HydG reaction: a [4Fe-4S][(Cys)Fe(CO)(CN)] species, 'Complex A', in which a CO, a CN- and a cysteine (Cys) molecule bind to the unique 'dangler' Fe site of the auxiliary [5Fe-4S] cluster of HydG. The identification of this intermediate—the first organometallic precursor to the H-cluster—validates the previously hypothesized HydG reaction cycle and provides a basis for elucidating the biosynthetic origin of other moieties of the H-cluster.

Field Sampling Plan for the Operable Units 6-05 and 10-04 Remedial Action, Phase IV

Energy Technology Data Exchange (ETDEWEB)

R. Wells

2006-11-14

This Field Sampling Plan outlines the collection and analysis of samples in support of Phase IV of the Waste Area Group 10, Operable Units 6-05 and 10-04 remedial action. Phase IV addresses the remedial actions to areas with the potential for unexploded ordnance at the Idaho National Laboratory Site. These areas include portions of the Naval Proving Ground, the Arco High-Altitude Bombing Range, and the Twin Buttes Bombing Range. The remedial action consists of removal and disposal of ordnance by high-order detonation, followed by sampling to determine the extent, if any, of soil that might have been contaminated by the detonation activities associated with the disposal of ordnance during the Phase IV activities and explosives during the Phase II activities.

Organic / IV, III-V Semiconductor Hybrid Solar Cells

Directory of Open Access Journals (Sweden)

Pang-Leen Ong

2010-03-01

Full Text Available We present a review of the emerging class of hybrid solar cells based on organic-semiconductor (Group IV, III-V, nanocomposites, which states separately from dye synthesized, polymer-metal oxides and organic-inorganic (Group II-VI nanocomposite photovoltaics. The structure of such hybrid cell comprises of an organic active material (p-type deposited by coating, printing or spraying technique on the surface of bulk or nanostructured semiconductor (n-type forming a heterojunction between the two materials. Organic components include various photosensitive monomers (e.g., phtalocyanines or porphyrines, conjugated polymers, and carbon nanotubes. Mechanisms of the charge separation at the interface and their transport are discussed. Also, perspectives on the future development of such hybrid cells and comparative analysis with other classes of photovoltaics of third generation are presented.

Does estradiol have an impact on the dipeptidyl peptidase IV enzyme activity of the Prevotella intermedia group bacteria?

Science.gov (United States)

Fteita, Dareen; Könönen, Eija; Gürsoy, Mervi; Söderling, Eva; Gürsoy, Ulvi Kahraman

2015-12-01

Initiation and development of pregnancy-associated gingivitis is seemingly related to the microbial shift towards specific gram-negative anaerobes in subgingival biofilms. It is known that Prevotella intermedia sensu lato is able to use estradiol as an alternative source of growth instead of vitamin K. The aim of the present study was to investigate the impact of estradiol on the bacterial dipeptidyl peptidase IV (DPPIV) enzyme activity in vitro as a virulent factor of the Prevotella intermedia group bacteria, namely P. intermedia, Prevotella nigrescens, Prevotella pallens, and Prevotella aurantiaca. In all experiments, 2 strains of each Prevotella species were used. Bacteria were incubated with the concentrations of 0, 30, 90, and 120 nmol/L of estradiol and were allowed to build biofilms at an air-solid interface. DPPIV activities of biofilms were measured kinetically during 20 min using a fluorometric assay. The enzyme activity was later related to the amount of protein produced by the same biofilm, reflecting the biofilm mass. Estradiol significantly increased DPPIV activities of the 8 Prevotella strains in a strain- and dose-dependent manner. In conclusion, our in vitro experiments indicate that estradiol regulates the DPPIV enzyme activity of P. intermedia, P. nigrescens, P. pallens, and P. aurantiaca strains differently. Our results may, at least partly, explain the role of estradiol to elicit a virulent state which contributes to the pathogenesis of pregnancy-related gingivitis. Copyright © 2015 Elsevier Ltd. All rights reserved.

High cost of stage IV pressure ulcers.

Science.gov (United States)

Brem, Harold; Maggi, Jason; Nierman, David; Rolnitzky, Linda; Bell, David; Rennert, Robert; Golinko, Michael; Yan, Alan; Lyder, Courtney; Vladeck, Bruce

2010-10-01

The aim of this study was to calculate and analyze the cost of treatment for stage IV pressure ulcers. A retrospective chart analysis of patients with stage IV pressure ulcers was conducted. Hospital records and treatment outcomes of these patients were followed up for a maximum of 29 months and analyzed. Costs directly related to the treatment of pressure ulcers and their associated complications were calculated. Nineteen patients with stage IV pressure ulcers (11 hospital-acquired and 8 community-acquired) were identified and their charts were reviewed. The average hospital treatment cost associated with stage IV pressure ulcers and related complications was $129,248 for hospital-acquired ulcers during 1 admission, and $124,327 for community-acquired ulcers over an average of 4 admissions. The costs incurred from stage IV pressure ulcers are much greater than previously estimated. Halting the progression of early stage pressure ulcers has the potential to eradicate enormous pain and suffering, save thousands of lives, and reduce health care expenditures by millions of dollars. Copyright © 2010 Elsevier Inc. All rights reserved.

Marginal adaptation of large adhesive class IV composite restorations before and after artificial aging

NARCIS (Netherlands)

Ardu, S.; Stavridakis, M.; Feilzer, A.J.; Krejci, I.; Lefever, D.; Dietschi, D.

2011-01-01

Purpose: To test the marginal adaptation of Class IV restorations made of different composite materials designed for anterior use. Materials and Methods: Forty-two extracted caries-free human maxillary central incisors were randomly divided into 7 experimental groups - one per composite tested - for

Accreditation to supervise research

International Nuclear Information System (INIS)

Meyer, D.

2005-01-01

After having briefly described the evolution of his activities (from the understanding of relationship between spatial and electronic structures of organometallic molecular compounds and their reactivity, to development activities in the field of the processing of highly-radioactive effluents and wastes), the author more precisely presents and discusses his works in the fields of molecular chemistry of d- and f-transition metals, of intermetallic actinide compounds, and of interactions between Si hybrid materials and actinides (interactions with Pu(IV) and Am(III)

Comparison of DSM-IV and DSM-5 criteria for alcohol use disorders in VA primary care patients with frequent heavy drinking enrolled in a trial.

Science.gov (United States)

Takahashi, Traci; Lapham, Gwen; Chavez, Laura J; Lee, Amy K; Williams, Emily C; Richards, Julie E; Greenberg, Diane; Rubinsky, Anna; Berger, Douglas; Hawkins, Eric J; Merrill, Joseph O; Bradley, Katharine A

2017-07-18

Criteria for alcohol use disorders (AUD) in the Diagnostic and Statistical Manual of Mental Disorders, 5th edition (DSM-5) were intended to result in a similar prevalence of AUD as DSM-IV. We evaluated the prevalence of AUD using DSM-5 and DSM-IV criteria, and compared characteristics of patients who met criteria for: neither DSM-5 nor DSM-IV AUD, DSM-5 alone, DSM-IV alone, or both, among Veterans Administration (VA) outpatients in the Considering Healthier drinking Options In primary CarE (CHOICE) trial. VA primary care patients who reported frequent heavy drinking and enrolled in the CHOICE trial were interviewed at baseline using the DSM-IV Mini International Neuropsychiatric Interview for AUD, as well as questions about socio-demographics, mental health, alcohol craving, and substance use. We compared characteristics across 4 mutually exclusive groups based on DSM-5 and DSM-IV criteria. Of 304 participants, 13.8% met criteria for neither DSM-5 nor DSM-IV AUD; 12.8% met criteria for DSM-5 alone, and 73.0% met criteria for both DSM-IV and DSM-5. Only 1 patient (0.3%) met criteria for DSM-IV AUD alone. Patients meeting both DSM-5 and DSM-IV criteria had more negative drinking consequences, mental health symptoms and self-reported readiness to change compared with those meeting DSM-5 criteria alone or neither DSM-5 nor DSM-IV criteria. In this sample of primary care patients with frequent heavy drinking, DSM-5 identified 13% more patients with AUD than DSM-IV. This group had a lower mental health symptom burden and less self-reported readiness to change compared to those meeting criteria for both DSM-IV and DSM-5 AUD. Trial Registration ClinicalTrials.gov NCT01400581. 2011 February 17.

Application of imaging spectroscopic reflectometry for characterization of gold reduction from organometallic compound by means of plasma jet technology

Energy Technology Data Exchange (ETDEWEB)

Vodák, Jiří, E-mail: jiri.vodak@yahoo.com [Institute of Physical Engineering, Faculty of Mechanical Engineering, Brno University of Technology, Technická 2, 616 69 Brno (Czech Republic); Nečas, David [RG Plasma Technologies, CEITEC Masaryk University, Kamenice 5, 625 00 Brno (Czech Republic); Pavliňák, David [Department of Physical Electronics, Masaryk University, Kotlářská 2, 611 37 Brno (Czech Republic); Macak, Jan M [Center of Materials and Nanotechnologies, Faculty of Chemical Technology, University of Pardubice, Nám. Čs. Legií 565, 530 02 Pardubice (Czech Republic); Řičica, Tomáš; Jambor, Roman [Department of General and Inorganic Chemistry, Faculty of Chemical Technology, University of Pardubice, Studentská 573, 532 10 Pardubice (Czech Republic); Ohlídal, Miloslav [Institute of Physical Engineering, Faculty of Mechanical Engineering, Brno University of Technology, Technická 2, 616 69 Brno (Czech Republic); Institute of Physics, Faculty of Mining and Geology, VŠB – Technical University of Ostrava (Czech Republic)

2017-02-28

Highlights: • Metallic gold is reduced from an organometallic compound layer using a plasma jet. • Imaging spectroscopic reflectometry is used to locate areas with metallic gold. • The results are completed with XPS and optical microscopy observations. - Abstract: This work presents a new application of imaging spectroscopic reflectometry to determine a distribution of metallic gold in a layer of an organogold precursor which was treated by a plasma jet. Gold layers were prepared by spin coating from a solution of the precursor containing a small amount of polyvinylpyrrolidone on a microscopy glass, then they were vacuum dried. A difference between reflectivity of metallic gold and the precursor was utilized by imaging spectroscopic reflectometry to create a map of metallic gold distribution using a newly developed model of the studied sample. The basic principle of the imaging spectroscopic reflectometry is also shown together with the data acquisition principles. XPS measurements and microscopy observations were made to complete the imaging spectroscopic reflectometry results. It is proved that the imaging spectroscopic reflectometry represents a new method for quantitative evaluation of local reduction of metallic components from metaloorganic compounds.

[Clinical value of "Kou mode of hepatic hilar anastomosis" in resection of type III or IV hepatic hilar cholangiocarcinoma].

Science.gov (United States)

He, Xiao-dong; Liu, Wei; Tao, Lian-yuan; Zhang, Zhen-huan; Cai, Lei; Zhang, Shuang-min

2009-08-01

To evaluate the surgical technique of "Kou mode of hepatic hilar anastomosis" in the treatment for type III or IV hilar cholangiocarcinoma. The clinical data of 89 patients with type III or IV hilar cholangiocarcinoma surgically treated in our department between Jan. 1990 and Jan. 2008 were retrospectively analyzed. Since January 2000, "Kou mode of hepatic hilar anastomosis" was performed for some patients with advanced hilar cholangiocarcinoma. The patients were divided into two groups: group A treated between 1990 and 1999, group B between 2000 and 2008. The rate of resection, therapeutic efficacy and complications in these two groups were compared, respectively. Of the 37 cases with hilar cholangiocarcinoma in group A, 4 were surgically treated (10.8%), with 1 (2.7%) radical resection and 3 (8.1%) palliative resection. Among the 52 cases with hilar cholangiocarcinoma in the group B, 35 (67.3%) received surgical resection, of them 15 (28.8%) underwent radical resection and 20 (38.5%) had palliative resection. Twenty-eight of these 35 cases underwent the "Kou mode of hepatic hilar anastomosis". The resection rate of advanced hilar cholangiocarcinoma in the group B was significantly higher than that in group A (P anastomosis" developed bile leakage to a varying degree and recovered after drainage and symptomatic treatment. The resection rate of type III or IV advanced hilar cholangiocarcinoma can be remarkably improved by using a novel alternative surgical technique called "Kou mode of hepatic hilar anastomosis". However, the long-term outcome still needs to be determined by close follow-up and further observation.

COMPARATIVE STUDY OF PROPHYLACTIC METOCLOPRAMIDE VERSUS ONDANSETRON FOR CONTROL OF POSTOPERATIVE NAUSEA AND VOMITING (PONV ASSOCIATED WITH IV TRAMADOL

Directory of Open Access Journals (Sweden)

Anjali P.

2015-10-01

Full Text Available AIMS AND OBJECTIVE: This prospective double blind randomized study was conducted to compare: 1. The efficacy and safety of prophylactic administration of Metoclopramide versus Ondansetron in the control of postoperative nausea and vomiting in patients receiving intravenous Tr amadol as postoperative analgesic. 2. To study the incidence of post operative nausea and vomiting with IV bolus Tramadol. METHODS: 90 patients ASA grade I and II, age 18 - 60 years, posted for hernia, hydrocele and other peripheral lower limb surgeries under subarachnoid block were selected . Patients were randomly allocated into three groups of thirty each. All surgeries were performed under subarachnoid block and received IV Tramadol 100 m g 8 hourly for 24 hours as post - operative analgesic. Group N received no prophylactic antiemetic. Group M received 10 mg Metoclopramide 12 hourly. Group O received 4 mg Ondansetron 12 hourly. Vital signs, nausea, vomiting, pain, sedation, need for rescue a ntiemetic, rescue analgesic and adverse effects were recorded for 24 hours. RESULTS: Ondansetron group (Group O significantly reduced the incidence of PONV as compared to Metoclopramide (Group M and no antiemetic group (Group N .But Metoclopramide was fo und to be not significantly effective in controlling PONV in patients receiving Tramadol as analgesic. None of the patients in Group O required rescue antiemetic as compared to 13.3% patients in Group M and 26.7% patients in Group N. There was statisticall y no significant difference between the 3 groups with respect to requirement of rescue analgesic. No major adverse effects were observed which can be attributed to either Metoclopramide or Ondansetron. CONCLUSION: Ondansetron was more effective than Metoclopramide in controlling PONV, in patients receiving IV Tramadol as post-operative analgesia

Surface and Interface Engineering of Organometallic and Two Dimensional Semiconductor

Science.gov (United States)

Park, Jun Hong

For over half a century, inorganic Si and III-V materials have led the modern semiconductor industry, expanding to logic transistor and optoelectronic applications. However, these inorganic materials have faced two different fundamental limitations, flexibility for wearable applications and scaling limitation as logic transistors. As a result, the organic and two dimensional have been studied intentionally for various fields. In the present dissertation, three different studies will be presented with followed order; (1) the chemical response of organic semiconductor in NO2 exposure. (2) The surface and stability of WSe2 in ambient air. (3) Deposition of dielectric on two dimensional materials using organometallic seeding layer. The organic molecules rely on the van der Waals interaction during growth of thin films, contrast to covalent bond inorganic semiconductors. Therefore, the morphology and electronic property at surface of organic semiconductor in micro scale is more sensitive to change in gaseous conditions. In addition, metal phthalocyanine, which is one of organic semiconductor materials, change their electronic property as reaction with gaseous analytes, suggesting as potential chemical sensing platforms. In the present part, the growth behavior of metal phthalocyanine and surface response to gaseous condition will be elucidated using scanning tunneling microscopy (STM). In second part, the surface of layered transition metal dichalcogenides and their chemical response to exposure ambient air will be investigated, using STM. Layered transition metal dichalcogenides (TMDs) have attracted widespread attention in the scientific community for electronic device applications because improved electrostatic gate control and suppression of short channel leakage resulted from their atomic thin body. To fabricate the transistor based on TMDs, TMDs should be exposed to ambient conditions, while the effect of air exposure has not been understood fully. In this part

Geographic structure evidenced in the toxic dinoflagellate Alexandrium pacificum Litaker (A. catenella - group IV (Whedon & Kofoid) Balech) along Japanese and Chinese coastal waters.

Science.gov (United States)

Genovesi, Benjamin; Berrebi, Patrick; Nagai, Satoshi; Reynaud, Nathalie; Wang, Jinhui; Masseret, Estelle

2015-09-15

The intra-specific diversity and genetic structure within the Alexandrium pacificum Litaker (A. catenella - Group IV) populations along the Temperate Asian coasts, were studied among individuals isolated from Japan to China. The UPGMA dendrogram and FCA revealed the existence of 3 clusters. Assignment analysis suggested the occurrence of gene flows between the Japanese Pacific coast (cluster-1) and the Chinese Zhejiang coast (cluster-2). Human transportations are suspected to explain the lack of genetic difference between several pairs of distant Japanese samples, hardly explained by a natural dispersal mechanism. The genetic isolation of the population established in the Sea of Japan (cluster-3) suggested the existence of a strong ecological and geographical barrier. Along the Pacific coasts, the South-North current allows limited exchanges between Chinese and Japanese populations. The relationships between Temperate Asian and Mediterranean individuals suggested different scenario of large-scale dispersal mechanisms. Copyright © 2015. Published by Elsevier Ltd.

Painlevé IV coherent states

Energy Technology Data Exchange (ETDEWEB)

Bermudez, David, E-mail: david.bermudez@weizmann.ac.il [Department of Physics of Complex Systems, Weizmann Institute of Science, Rehovot 76100 (Israel); Departamento de Física, Cinvestav, A.P. 14-740, 07000 México D.F. (Mexico); Contreras-Astorga, Alonso, E-mail: aloncont@iun.edu [Department of Mathematics and Actuarial Science, Indiana University Northwest, 3400 Broadway, Gary IN 46408 (United States); Departamento de Física, Cinvestav, A.P. 14-740, 07000 México D.F. (Mexico); Fernández C, David J., E-mail: david@fis.cinvestav.mx [Departamento de Física, Cinvestav, A.P. 14-740, 07000 México D.F. (Mexico)

2014-11-15

A simple way to find solutions of the Painlevé IV equation is by identifying Hamiltonian systems with third-order differential ladder operators. Some of these systems can be obtained by applying supersymmetric quantum mechanics (SUSY QM) to the harmonic oscillator. In this work, we will construct families of coherent states for such subset of SUSY partner Hamiltonians which are connected with the Painlevé IV equation. First, these coherent states are built up as eigenstates of the annihilation operator, then as displaced versions of the extremal states, both involving the related third-order ladder operators, and finally as extremal states which are also displaced but now using the so called linearized ladder operators. To each SUSY partner Hamiltonian corresponds two families of coherent states: one inside the infinite subspace associated with the isospectral part of the spectrum and another one in the finite subspace generated by the states created through the SUSY technique. - Highlights: • We use SUSY QM to obtain Hamiltonians with third-order differential ladder operators. • We show that these systems are related with the Painlevé IV equation. • We apply different definitions of coherent states to these Hamiltonians using the third-order ladder operators and some linearized ones. • We construct families of coherent states for such systems, which we called Painlevé IV coherent states.

Painlevé IV coherent states

International Nuclear Information System (INIS)

Bermudez, David; Contreras-Astorga, Alonso; Fernández C, David J.

2014-01-01

A simple way to find solutions of the Painlevé IV equation is by identifying Hamiltonian systems with third-order differential ladder operators. Some of these systems can be obtained by applying supersymmetric quantum mechanics (SUSY QM) to the harmonic oscillator. In this work, we will construct families of coherent states for such subset of SUSY partner Hamiltonians which are connected with the Painlevé IV equation. First, these coherent states are built up as eigenstates of the annihilation operator, then as displaced versions of the extremal states, both involving the related third-order ladder operators, and finally as extremal states which are also displaced but now using the so called linearized ladder operators. To each SUSY partner Hamiltonian corresponds two families of coherent states: one inside the infinite subspace associated with the isospectral part of the spectrum and another one in the finite subspace generated by the states created through the SUSY technique. - Highlights: • We use SUSY QM to obtain Hamiltonians with third-order differential ladder operators. • We show that these systems are related with the Painlevé IV equation. • We apply different definitions of coherent states to these Hamiltonians using the third-order ladder operators and some linearized ones. • We construct families of coherent states for such systems, which we called Painlevé IV coherent states

Inter-Division IV-V-IX / Working Group Historic Radio Astronomy

NARCIS (Netherlands)

Orchiston, Wayne; Kellermann, Kenneth I.; Davies, Rodney D.; Débarbat, Suzanne V.; Morimoto, Masaki; Slysh, Slava; Swarup, Govind; van Woerden, Hugo; Wall, Jasper V.; Wielebinski, Richard

2009-01-01

The Working Group was formed at the IAU XXV General Assembly in Sydney, 2003, as a joint initiative of Commissions 40 Radio Astronomy and Commission 41 History of Astronomy, in order to assemble a master list of surviving historically-significant radio telescopes and associated instrumentation found

Synthesis, characterization and thermal behaviour of cadmium (II) complexes of photosubstituted octacyano-molybdate(IV) and -tungstate(IV) with ethylenediamine

International Nuclear Information System (INIS)

Ali, S.I.; Majid, Kowsar

1998-01-01

Photosubstituted ethylenediamine complexes of M(CN) 8 4- [where M =Mo(IV) or W(IV)] with cadmium (II) chloride have been synthesized and characterized by infrared (IR), thermogravimetric (TG) and differential scanning calorimetry (DSC). Both Mo(IV) and W(IV) show similar stoichiometric as well as thermal decomposition behaviour. The assigned general formula is Cd[M(CN) 3 (OH)(C 2 H 8 N 2 ) 2 ](C 2 H 8 N 2 ) Cl 2 XH 2 O [where M = Mo(IV) for which X = 1(I) and M = W(IV) for which X = 2 (II)]. The presence of CN - , OH - and C 2 H 8 N 2 has been shown by observed characteristic IR peaks. The extra absorption bands appearing in complex (II) are due to librational modes of water which show the formation of hydrogen bonding, which is also supported by TG analysis. The loss of these absorption bands rules out this type of bonding in (I). Both the complexes decompose in three steps up to 650 degC after which there is no change. DSC of the complexes also shows three transitions, two exothermic and one endothermic. On the basis of TG and DSC thermograms, mechanism for the decomposition of each step has been shown. Kinetic parameters like activation energy (E a ), frequency factor (A) and entropy of activation (ΔS) have been calculated using different integral methods. (author)

Nordic Nuclear Materials Forum for Generation IV Reactors

Energy Technology Data Exchange (ETDEWEB)

Anghel, C. (Studsvik Nuclear AB, Nykoeping (Sweden)); Penttilae, S. (Technical Research Centre of Finland, VTT (Finland))

2010-03-15

A network for material issues for Generation IV nuclear power has been initiated within the Nordic countries. The objectives of the Generation IV Nordic Nuclear Materials Forum (NOMAGE4) are to put the basis of a sustainable forum for Gen IV issues, especially focussing on fuels, cladding, structural materials and coolant interaction. Other issues include reactor physics, dynamics and diagnostics, core and fuel design. The present report summarizes the work performed during the year 2009. The efforts made include identification of organisations involved in Gen IV issues in the Nordic countries, update of the forum website, http://www.studsvik.se/GenerationIV, and investigation of capabilities for research within the area of Gen IV. Within the NOMAGE4 project a seminar on Generation IV Nuclear Energy Systems has been organized during 15-16th of October 2009. The aim of the seminar was to provide a forum for exchange of information, discussion on future research needs and networking of experts on Generation IV reactor concepts. As an outcome of the NOMAGE4, a few collaboration project proposals have been prepared/planned in 2009. The network was welcomed by the European Commission and was mentioned as an exemplary network with representatives from industries, universities, power companies and research institutes. NOMAGE4 has been invited to participate to the 'European Energy Research Alliance, EERA, workshop for nuclear structural materials' http://www.eera-set.eu/index.php?index=41 as external observers. Future plans include a new Nordic application for continuation of NOMAGE4 network. (author)

Nordic Nuclear Materials Forum for Generation IV Reactors

International Nuclear Information System (INIS)

Anghel, C.; Penttilae, S.

2010-03-01

A network for material issues for Generation IV nuclear power has been initiated within the Nordic countries. The objectives of the Generation IV Nordic Nuclear Materials Forum (NOMAGE4) are to put the basis of a sustainable forum for Gen IV issues, especially focussing on fuels, cladding, structural materials and coolant interaction. Other issues include reactor physics, dynamics and diagnostics, core and fuel design. The present report summarizes the work performed during the year 2009. The efforts made include identification of organisations involved in Gen IV issues in the Nordic countries, update of the forum website, http://www.studsvik.se/GenerationIV, and investigation of capabilities for research within the area of Gen IV. Within the NOMAGE4 project a seminar on Generation IV Nuclear Energy Systems has been organized during 15-16th of October 2009. The aim of the seminar was to provide a forum for exchange of information, discussion on future research needs and networking of experts on Generation IV reactor concepts. As an outcome of the NOMAGE4, a few collaboration project proposals have been prepared/planned in 2009. The network was welcomed by the European Commission and was mentioned as an exemplary network with representatives from industries, universities, power companies and research institutes. NOMAGE4 has been invited to participate to the 'European Energy Research Alliance, EERA, workshop for nuclear structural materials' http://www.eera-set.eu/index.php?index=41 as external observers. Future plans include a new Nordic application for continuation of NOMAGE4 network. (author)

Antioxidative, DPP-IV and ACE inhibiting peptides from fish protein hydrolysed with intestinal proteases

DEFF Research Database (Denmark)

Falkenberg, Susan Skanderup; Stagsted, Jan; Nielsen, Henrik Hauch

amino groups, antioxidative capacity by ABTS (2,2-azinobis(3-ethylbenzothiazoline-6-sulfonicacid)), DPP-IV and ACE inhibiting activity. Degree of hydrolysis (DH) of hydrolysates was approximately 13% and 10% for belly flap and skin respectively. No clear difference was observed in DH between pancreatin...

Redox behavior of Ce(IV)/Ce(III) in the presence of nitrilotriacetic acid: a surrogate study for An(IV)/An(III) redox behavior

International Nuclear Information System (INIS)

Suzuki, Y.; Nankawa, T.; Ohnuki, T.; Francis, A.J.

2010-01-01

Using cyclic voltammetry, we investigated the redox behavior of Ce(IV)/Ce(III), which is a surrogate for An(IV)/An(III) (An = actinides), in a solution of nitrilotriacetic acid (NTA) at 25 C. The cyclic voltammogram of Ce in a 0.1 M NTA solution at pH 6 showed a reversible one-electron redox reaction for Ce(IV)/Ce(III) at 0.51 V vs. Ag/AgCl. This redox potential was much lower than that obtained in 1 M nitric acid, indicating that Ce(IV) was preferentially stabilized by complexation with NTA. The redox potential in the NTA solution was independent of the Ce concentration from 2 to 20 mM, NTA concentration from 5 to 200 mM and pH between 3 and 7. These results indicated that no polymerization and no additional coordination of NTA and OH to the Ce(III)-NTA complex took place during the redox reaction. As the speciation calculation of Ce(III) in the NTA solution showed that the predominant species was Ce III (nta) 2 3 (H 3 nta = NTA), the redox reaction of the Ce-NTA complex was expressed by the following: Ce IV (nta) 2 2- + e - ↔ Ce III (nta) 2 3 . The logarithm of the stability constant of Ce IV (nta) 2 2- was calculated to be 38.6 ± 0.8 for I = 0 from the redox potential shift of Ce(IV)/Ce(III) in the NTA solution. The value was in good accordance with the stability constant of the Np IV (nta) 2 2- complex, demonstrating that the aqueous coordination chemistry of Ce(IV) with NTA is quite similar to that of An(IV). These results strongly suggest that a negative shift of the Pu(IV)/Pu(III) redox potential in the NTA solution should make Pu(IV) more stable than Pu(III) even in a reducing environment. (orig.)