WorldWideScience

Sample records for verifikation bis hin

  1. Vollständige funktionale Verifikation

    OpenAIRE

    Bormann, Jörg

    2009-01-01

    Diese Arbeit beschreibt einen in der Praxis bereits vielfach erprobten, besonders leistungsfähigen Ansatz zur Verifikation digitaler Schaltungsentwürfe. Der Ansatz ist im Hinblick auf die Schaltungsqualität nach der Verifikation, als auch in Bezug auf den Verifikationsaufwand der simulationsbasierten Schaltungsverifikation deutlich überlegen. Die Arbeit überträgt zunächst das Paradigma der transaktionsbasierten Verifikation aus der Simulation in die formale Verifikation. Ein Ergebnis dieser Ü...

  2. Evaluation of load case ``switch-off of the high pressure pump of the emergency core cooling system``, measures of verification and in situ-test; Einstufung des Lastfalls ``Ausfall der TH-Hochdruckeinspeisepumpe``, Massnahmen zur Verifikation bis hin zum Grossversuch

    Energy Technology Data Exchange (ETDEWEB)

    Trobitz, M.; Mattheis, A. [Kernkraftwerke Gundremmingen Betriebsgesellschaft m.b.H. (Germany); Kerkhof, K.; Hippelein, K. [Stuttgart Univ. (Germany). Staatliche Materialpruefungsanstalt; Gurr-Beyer, C. [Buero fuer Baudynamik, Stuttgart (Germany); Hofstoetter, P. [Technischer Ueberwachungs-Verein Rheinland e.V., Koeln (Germany)

    1998-11-01

    Within the framework of periodic safety inspection of the Gundremmingen power station (RWE-Bayernwerk - KRB II), the load collectives used for the design of safety-relevant systems and components were checked for their consistency with latest updates of the design basis. It was found that there was no analytical information or study available describing a particular process and its effects, namely switch-off of the high-pressure feedwater pump of the emergency core cooling system. The paper reports the work performed for closing the gap, including preparatory analyses, accompanying measures such as vibration measurements during plant shut-down, as well as the preparation and performance of the in-situ test. The experimental results and the comparative evaluation of calculated and experimental data are presented. (orig./CB) [Deutsch] Im Rahmen der periodischen Sicherheitsueberpruefung des Kernkraftwerkes Gundremmingen (Kernkraftwerke RWE-Bayernwerk - KRB II) wurden u.a. die Lastkollektive, die zur Auslegung sicherheitstechnisch relevanter Systeme und Komponenten herangezogen wurden, auf Aktualitaet ueberprueft. Dabei zeigte sich, dass bislang fuer eine Betriebsweise - naemlich das Abschalten der Hochdruckeinspeisepumpe des nuklearen Not- und Nachkuehlsystems (TH-HD-Pumpe) - keine analytischen Untersuchungen vorliegen. Vorbetrachtungen fuer analytische Untersuchungen, begleitende Massnahmen wie Schwingungsmessungen waehrend des Anlagenstillstandes, sowie der Versuchsaufbau und die Versuchsdurchfuehrung des Anlagenversuches werden hier dargestellt. Die Ergebnisse und der Vergleich Rechnung-Messung zum Grossversuch werden in diesem Beitrag vorgestellt. (orig.)

  3. Promoter Methylation status of HIN-1 associated with outcomes of ovarian clear cell adenocarcinoma

    Directory of Open Access Journals (Sweden)

    Ho Chih-Ming

    2012-08-01

    Full Text Available Abstract Background This study is to analyze promoter methylation of various tumor suppressor genes in different types of ovarian carcinoma and to identify potential therapeutic targets of ovarian clear cell adenocarcinoma (OCCA. Materials and methods The promoter methylation statuses of 40 genes in primary ovarian carcinomas including 47 clear- and 63 non-clear-cell type tissues, 6 OCCA cell lines, 29 benign ovarian endometriotic cysts, and 31 normal controls were analyzed by methylation-specific multiplex ligation-dependent probe amplification (MS-MLPA. The MS-MLPA results were correlated with clinicopathological features and outcomes of 47 OCCA patients. Functions of the target genes were further explored by Western Blot Analysis, apoptosis assay, and caspase-3/7 activity analysis. Results Frequencies of methylated RASSF1A, CDH13, CACNA1A, HIN-1, and sFRP5 genes in OCCA tissues were significantly higher than those in non-OCCA cancerous tissues and benign endometriotic cysts. The expected OS for patients with methylated promoters of HIN-1 was significantly worse than those for patients without methylated HIN-1 (30% vs. 62%, p = 0.002. The HIN-1 gene was over-expressed in ES2 cells, a significant reduction in cell growth and induction of apoptosis, and increasing paclitaxel sensitivity by reducing phosphorylation of Akt were observed. Conclusions Methylation of HIN-1 promoter is a novel epigenetic biomarker associated with poor outcomes in OCCA patients. Ectopic expression of the HIN-1 gene increased paclitaxel sensitivity which is partly through Akt pathway.

  4. Noorte lühinäidendid jahmatasid publikut / Maria Uuetoa

    Index Scriptorium Estoniae

    Uuetoa, Maria

    2007-01-01

    Eesti Nuku- ja Noorsooteater tõi lavale kolmest lühinäidendist koosneva etenduse "Põlev pööning". Näidendivõistluselt "Pööning" valitud kolm näidendit on Kristiina Jalasto "Kui mind ei oleks, oleks maailm teine" (lav. Andres Dvinjaninov), Priit Põldma "Koerad" (lav. Vahur Keller) ja Maili Lehtpuu "Koristajad" (lav. Reeda Toots)

  5. hinägelik boamaopoiss müttab festivalidel

    Index Scriptorium Estoniae

    2007-01-01

    A Film Eesti joonisfilm "Väike lühinägelik boamadu" (loo autor Andry Ervald, režissöörid Aina Järvine ja Meelis Arulepp) on üks viiest Pulcinella auhinna 2007 nominendist Itaalia animafilmifestivalil Cartoons on the Bay. Detsembris 2006 osales film IX olümpia rahvusvahelisel laste- ja noortefilmide festivalil, kus žürii valis ta parimaks lühianimafilmiks

  6. Bitcoins. Eine Analyse von Kryptowaehrungen und deren Anwendung von kontroversiellen Angeboten im Darknet bis hin zu traditionellem Onlinehandel.

    OpenAIRE

    Linzner, Manfred

    2016-01-01

    von Manfred Linzner Arbeit an der Bibliothek noch nicht eingelangt - Daten nicht geprueft - Link noch nicht aktiv Abweichender Titel nach Übersetzung der Verfasserin/des Verfassers Technische Universität Wien, Univ., Diplomarbeit, 2016

  7. GRASSROOTS ONLINE JOURNALISM: Public intervention in Kuro5hin and Wikinews

    Directory of Open Access Journals (Sweden)

    Marcelo Träsel

    2011-02-01

    Full Text Available Grassroots online journalism, as defined by Primo and Träsel
    (2006, are the practices developed in web news periodicals, or
    parts thereof, where the boundary between reading and publishing is either blurred or non-existent. The question is no longer whether individuals with no professional license or formal education will publish their own writing and influence, but how and to what extent they will do so. This paper presents results from a study focusing on interventions from various contributors in the journalistic content published in the participatory news websites Wikinews and Kuro5hin. A sample of ten texts was collected over seven weeks to create a corpus of interventions, which was later submitted to content analysis with the goal of verifying whether the interventions had a predominantly pluralizing character or not. The results show that, for Wikinews and Kuro5hin, the interventions are mostly pluralizing, which indicates grassroots online journalism can make important contributions to democracy.

  8. CA-Markov Analysis of Constrained Coastal Urban Growth Modeling: Hua Hin Seaside City, Thailand

    Directory of Open Access Journals (Sweden)

    Rajendra Shrestha

    2013-04-01

    Full Text Available Thailand, a developing country in Southeast Asia, is experiencing rapid development, particularly urban growth as a response to the expansion of the tourism industry. Hua Hin city provides an excellent example of an area where urbanization has flourished due to tourism. This study focuses on how the dynamic urban horizontal expansion of the seaside city of Hua Hin is constrained by the coast, thus making sustainability for this popular tourist destination—managing and planning for its local inhabitants, its visitors, and its sites—an issue. The study examines the association of land use type and land use change by integrating Geo-Information technology, a statistic model, and CA-Markov analysis for sustainable land use planning. The study identifies that the land use types and land use changes from the year 1999 to 2008 have changed as a result of increased mobility; this trend, in turn, has everything to do with urban horizontal expansion. The changing sequences of land use type have developed from forest area to agriculture, from agriculture to grassland, then to bare land and built-up areas. Coastal urban growth has, for a decade, been expanding horizontally from a downtown center along the beach to the western area around the golf course, the southern area along the beach, the southwest grassland area, and then the northern area near the airport.

  9. Transverse Beam Halo Measurements at High Intensity Neutrino Source (HINS) using Vibrating Wire Monitor

    Energy Technology Data Exchange (ETDEWEB)

    Chung, M.; Hanna, B.; Scarpine, V.; Shiltsev, V.; Steimel, J.; Artinian, S.; Arutunian, S.

    2015-02-26

    The measurement and control of beam halos will be critical for the applications of future high-intensity hadron linacs. In particular, beam profile monitors require a very high dynamic range when used for the transverse beam halo measurements. In this study, the Vibrating Wire Monitor (VWM) with aperture 60 mm was installed at the High Intensity Neutrino Source (HINS) front-end to measure the transverse beam halo. A vibrating wire is excited at its resonance frequency with the help of a magnetic feedback loop, and the vibrating and sensitive wires are connected through a balanced arm. The sensitive wire is moved into the beam halo region by a stepper motor controlled translational stage. We study the feasibility of the vibrating wire for the transverse beam halo measurements in the low-energy front-end of the proton linac.

  10. Dosimetric verification of IMRT treatment plans at the German Cancer Research Center (DKFZ); Dosimetrische Verifikation von IMRT-Gesamtplaenen am Deutschen Krebsforschungszentrum Heidelberg

    Energy Technology Data Exchange (ETDEWEB)

    Rhein, B.; Haering, P.; Debus, J.; Schlegel, W. [Deutsches Krebsforschungszentrum, Heidelberg (Germany)

    2002-07-01

    . Absolute Dosisverteilungen werden mit Verifikationsfilmen Kodak EDR gemessen und mit der Dosisberechnung verglichen. Nach Korrektur der optischen Dichte zur Dosis kann fuer die Absolutdosisgenauigkeit der Filmdosimetrie gegenueber Ionisationskammermessungen ein Wert von {+-}2% erreicht werden. Eine Visual C{sup ++}-Software wurde entwickelt, um die Filmdosisverteilungen mit den Schichten des 3D-Dosiswuerfels zu ueberlagern und auszuwerten. Neben der Ueberlagerung von Isodosen und Profilen in absoluten oder relativen Dosiseinheiten wird der Medianwert der Dosis innerhalb korrelierter ROIs zur quantitativen Dosisauswertung herangezogen. Hierbei wurden Abweichungen zwischen Messung und Rechnung von {delta}D=-0,3% bei einer Standardabweichung von {+-}2,3% ermittelt. Die Zeit pro IMRT-Verifikation inklusive Datenverarbeitung, -Ueberlagerung, -Auswertung und -Dokumentation konnte nach Einfuehrung der Verifiaktionssoftware auf unter 2 Stunden reduziert werden. (orig.)

  11. Applicability of HIN-1, MGMT and RASSF1A promoter methylation as biomarkers for detecting field cancerization in breast cancer.

    Science.gov (United States)

    Spitzwieser, Melanie; Holzweber, Elisabeth; Pfeiler, Georg; Hacker, Stefan; Cichna-Markl, Margit

    2015-09-14

    It has been shown in some articles that genetic and epigenetic abnormalities cannot only be found in tumor tissues but also in adjacent regions that appear histologically normal. This phenomenon is metaphorically called field cancerization or field defect. Field cancerization is regarded as clinically significant because it is assumed to be an important factor in local recurrence of cancer. As the field showing these molecular abnormalities may not be removed completely by surgery, these changes might lead to neoplasms and subsequent transformation to a tumor. We aimed to investigate the applicability of the methylation status of six tumor suppressor genes as biomarkers for detecting field cancerization in breast cancer. The promoter methylation status of CCND2, DAPK1, GSTP1, HIN-1, MGMT and RASSF1A was determined by methylation-sensitive high-resolution melting (MS-HRM) analysis. MS-HRM methods for CCND2, MGMT and RASSF1A were developed in-house, primer sequences for DAPK1, GSTP1 and HIN-1 have already been published. Biopsy samples were taken from tumor, tumor-adjacent and tumor-distant tissue from 17 breast cancer patients. Normal breast tissues of four healthy women served as controls. All MS-HRM methods proved to be very sensitive. LODs were in the range from 0.1 to 1.5 %, LOQs ranged from 0.3 to 5.3 %. A total of 94 %, 82 % and 65 % of the tumors showed methylation of RASSF1A, HIN-1 and MGMT promoters, respectively. The methylation status of these promoters was significantly lower in tumor-distant tissues than in tumor tissues. Tumor-adjacent tissues showed higher methylation status of RASSF1A, HIN-1 and MGMT promoters than tumor-distant tissues, indicating field cancerization. The methylation status of the HIN-1 promoter in tumor-adjacent tissues was found to correlate strongly with that in the corresponding tumors (r = 0.785, p cancerization. Further investigation is needed to test whether it can be used for defining surgical margins in order to

  12. Jornalismo participativo online: intervenção do público no Wikinews e no Kuro5hin

    Directory of Open Access Journals (Sweden)

    Marcelo Träsel

    2008-12-01

    Full Text Available Os sites Wikinews e Kuro5hin são observados neste estudo sobre jornalismo participativo. O artigo apresenta resultados sobre intervenções do público. Uma mostra de dez textos foi coletada durante sete semanas para criar um conjunto de intervenções, com o objetivo de verificar se esses sites têm ou não caráter pluralizado. Os resultados indicam que a maioria das intervenções apresenta essa característica e indica que a proximidade pode fazer do jornalismo on-line contribuições importantes para a democracia.

  13. StPOTHR1, a NDR1/HIN1-like gene in Solanum tuberosum, enhances resistance against Phytophthora infestans.

    Science.gov (United States)

    Chen, Qiansi; Tian, Zhendong; Jiang, Rui; Zheng, Xueao; Xie, Conghua; Liu, Jun

    2018-02-19

    A family of NDR1/HIN1-like (NHL) genes that shows homology to the nonrace-specific disease resistance (NDR1) and the tobacco (Nicotiana tabacum) harpin-induced (HIN1) genes is reported to be involved in defense. However, little information about NHL genes is available for the potato (Solanum tuberosum). Here, we report that the expression of StPOTHR1, a member of the NHL gene family, is associated with resistance in potato against Phytophthora infestans, and is specifically induced in inoculation sites. Overexpression of StPOTHR1 enhances resistance against P. infestans via restricting rapid pathogen proliferation. Further, suppression of StPOTHR1 does not compromise R-mediated cell death. Subcellular localization and posttranscription modifications (PTMs) analysis reveals that StPOTHR1 is localized in plasma membrane (PM) and undergoes multiple PTMs. Moreover, StPOTHR1 interacts with NbMKK5L, a component of the MAP kinase signaling cascade. Taken together, our results suggest that the PM-localized StPOTHR1 contributes to potato immunity against P. infestans and may be associated with the MAP kinase signaling cascade. Copyright © 2018 Elsevier Inc. All rights reserved.

  14. Structures of the HIN Domain:DNA Complexes Reveal Ligand Binding and Activation Mechanisms of the AIM2 Inflammasome and IFI16 Receptor

    Energy Technology Data Exchange (ETDEWEB)

    Jin, Tengchuan; Perry, Andrew; Jiang, Jiansheng; Smith, Patrick; Curry, James A.; Unterholzner, Leonie; Jiang, Zhaozhao; Horvath, Gabor; Rathinam, Vijay A.; Johnstone, Ricky W.; Hornung, Veit; Latz, Eicke; Bowie, Andrew G.; Fitzgerald, Katherine A.; Xiao, T. Sam (UMASS, MED); (Bonn); (Trinity); (PMCI-A); (NIH)

    2012-05-21

    Recognition of DNA by the innate immune system is central to antiviral and antibacterial defenses, as well as an important contributor to autoimmune diseases involving self DNA. AIM2 (absent in melanoma 2) and IFI16 (interferon-inducible protein 16) have been identified as DNA receptors that induce inflammasome formation and interferon production, respectively. Here we present the crystal structures of their HIN domains in complex with double-stranded (ds) DNA. Non-sequence-specific DNA recognition is accomplished through electrostatic attraction between the positively charged HIN domain residues and the dsDNA sugar-phosphate backbone. An intramolecular complex of the AIM2 Pyrin and HIN domains in an autoinhibited state is liberated by DNA binding, which may facilitate the assembly of inflammasomes along the DNA staircase. These findings provide mechanistic insights into dsDNA as the activation trigger and oligomerization platform for the assembly of large innate signaling complexes such as the inflammasomes.

  15. Chemical strategies for modifications of the solar cell process, from wafering to emitter diffusion; Chemische Ansaetze zur Neuordnung des Solarzellenprozesses ausgehend vom Wafering bis hin zur Emitterdiffusion

    Energy Technology Data Exchange (ETDEWEB)

    Mayer, Kuno

    2009-11-06

    The paper describes the classic standard industrial solar cell based on monocrystalline silicon and describes new methods of fabrication. The first is an alternative wafering concept using laser microjet cutting instead of multiwire cutting. This method originally uses pure, deionized water; it was modified so that the liquid jet will not only be a liquid light conductor but also a transport medium for etching fluids supporting thermal abrasion of silicon by the laser jet. Two etching fluids were tested experimentally; it was found that water-free fluids based on perfluorinated solvents with very slight additions of gaseous chlorine are superior to all other options. In the second section, the wet chemical process steps between wafering and emitter diffusion (i.e. the first high-temperature step) was to be modified. Alternatives to 2-propanol were to be found in the experimental part. Purification after texturing was to be rationalized in order to reduce the process cost, either by using less chemical substances or by achieving shorter process times. 1-pentanol and p-toluolsulfonic acid were identified as two potential alternatives to 2-propanol as texture additives. Finally, it could be shown that wire-cut substrates processed with the new texturing agents have higher mechanical stabilities than substrates used with the classic texturing agent 2-propanol. [German] Im ersten Kapitel wird die klassische Standard-Industrie-Solarzelle auf der Basis monokristallinen Siliziums vorgestellt. Der bisherige Herstellungsprozess der Standard-Industrie-Solarzelle, der in wesentlichen Teilen darauf abzielt, diese Verluste zu minimieren, dient als Referenz fuer die Entwicklung neuer Fertigungsverfahren, wie sie in dieser Arbeit vorgestellt werden. Den ersten thematischen Schwerpunkt bildet die Entwicklung eines alternativen Wafering-Konzeptes zum Multi-Drahtsaegen. Die Basis des neuen, hier vorgestellten Wafering-Prozesses bildet das Laser-Micro-Jet-Verfahren. Dieses System besitzt eine Reihe von Vorteilen gegenueber klassischen ''trockenen'' Laserverfahren. Das urspruenglich auf reinem, deionisiertem Wasser als Strahlmedium aufbauende System wurde im Rahmen dieser Arbeit so modifiziert, dass der Fluessigkeitsstrahl nunmehr nicht nur als fluessiger Lichtleiter dient, sondern gleichzeitig auch als Transportmedium fuer Aetzmittel, welche den thermischen Abtrag des Siliziums durch den Laserstrahl unterstuetzen. Den praktischen Teil dieses Arbeitspaketes bildete der Test zweier Aetzmedien im Experiment. Dabei konnte gezeigt werden, dass wasserfreie Strahlmedien basierend auf perfluorierten Loesemitteln mit bereits sehr geringen Zusaetzen gasfoermigen Chlors als Aetzmittel fuer Silizium waessrigen alkalischen Aetzsystemen jeder Konzentration prinzipiell ueberlegen sind. Den zweiten thematischen Schwerpunkt der Arbeit bildet die Modifizierung der nasschemischen Schritte zwischen dem Wafering und dem ersten Hochtemperatur-Fertigungsschritt in der Solarzellen-Produktion, der Emitterdiffusion. Kernanliegen des praktischen Teils dieses Arbeitspaketes ist zum einen die Suche nach alternativen Texturmitteln zum 2-Propanol. Zum anderen sollte der auf die Textur folgende Reinigungsprozess rationalisiert werden, um Prozesskosten zu minimieren, entweder durch eine Straffung des Prozesses durch Verringerung des Chemikalienverbrauchs und einer Reduzierung der Prozesszeit oder durch eine Verringerung der Chemikalienkosten. Mit 1-Pentanol und p-Toluolsulfonsaeure wurden zwei Substanzen ermittelt, welche in der Zukunft als praktikable Alternativen zu 2-Propanol als Texturadditive dienen koennten. Abschliessend konnte noch gezeigt werden, dass drahtgesaegte Substrate, die bei gleicher Prozesszeit mit den neuen Texturmitteln prozessiert wurden, ueber erheblich hoehere mechanische Stabilitaeten verfuegen, als jene, bei denen das klassische Texturmittel 2-Propanol eingesetzt wurde.

  16. Intracellular pH (pHin) and cytosolic calcium ([Ca2+]cyt) regulation via ATPases: studies in cell populations, single cells, and subcellular compartments

    Science.gov (United States)

    Rojas, Jose D.; Sanka, Shankar C.; Gyorke, Sandor; Wesson, Donald E.; Minta, Akwasi; Martinez-Zaguilan, Raul

    1999-07-01

    Changes in pHin and (Ca2+)cyt are important in the signal transduction mechanisms leading to many physiological responses including cell growth, motility, secretion/exocytosis, etc. The concentrations of these ions are regulated via primary and secondary ion transporting mechanisms. In diabetes, specific pH and Ca2+ regulatory mechanism might be altered. To study these ions, we employ fluorescence spectroscopy, and cell imagin spectroscopy/confocal microscopy. pH and Ca2+ indicators are loaded in the cytosol with acetoxymethyl ester forms of dyes, and in endosomal/lysosomal (E/L) compartments by overnight incubation of cells with dextran- conjugated ion fluorescent probes. We focus on specific pH and Ca2+ regulatory systems: plasmalemmal vacuolar- type H+-ATPases (pm V-ATPases) and sarcoplasmic/endoplasmic reticulum Ca2+-ATPases (SERCA). As experimental models, we employ vascular smooth muscle (VSM) and microvascular endothelial cells. We have chosen these cells because they are important in blood flow regulation and in angiogenesis. These processes are altered in diabetes. In many cell types, ion transport processes are dependent on metabolism of glucose for maximal activity. Our main findings are: (a) glycolysis coupling the activity of SERCA is required for cytosolic Ca2+ homeostasis in both VSM and microvascular endothelial cells; (b) E/L compartments are important for pH and Ca2+ regulation via H+-ATPases and SERCA, respectively; and (c) pm-V- ATPases are important for pHin regulation in microvascular endothelial cells.

  17. Verifikation af optiske koordinatmålemaskiner

    DEFF Research Database (Denmark)

    Larsen, Erik

    Kalibrering af optiske måleudstyr kalibreres ofte på en måde der ikke er valgt hensigtsmæ ssig, set i forhold til de emner der efterfølgende måles på udstyret. Det er ofte ”de forhåndenvæ rende søms” metode der anvendes. Udviklingen af optiske måleudstyr går stæ rkt for tiden, og understøttes kra...

  18. Network-independent electrification ranging from the Solar Home System via Alps Association Houses up to electric power supply of a whole village; Netzferne Elektrifizierung vom Solar Home System ueber Alpenvereinshaeuser bis hin zur Dorfstromversorgung

    Energy Technology Data Exchange (ETDEWEB)

    Bopp, G.; Holz, F.; Sauer, D.U. [Fraunhofer-Institut fuer Solare Energiesysteme (ISE), Freiburg (Germany)

    2005-07-01

    According to assessment of the European Union approximately two billion people live worldwide without having a connection to a public electric power grid, half of them even live in areas without any access to electricity at all. In the medium term, high investment costs along with a simultaneously low electric power demand (smaller than 1 KWh/day) will impede grid connection of these isolated, scattered populated areas for economic reasons. Photovoltaic plants are one of the most interesting technical options for the solution of this energy supply task. However, a lot painful experience gained in pilot projects, has shown, that various frame conditions must be taken into consideration for planning these plants. Apart from technical aspects, cultural, social, economic and financial aspects must be taken into account. While the pure electric power supply is improved, other central areas of living like food and water supply, the health system, education system and infrastructure measures must be improved as well in order to achieve lasting improvement of the living standard of the people living away from grid supply. (orig.)

  19. Blessures Skaten (BIS): Blessurevrij skaten?

    NARCIS (Netherlands)

    Hespen, A. van; Stubbe, J.; Stege, J.

    2009-01-01

    Sportblessures: niemand zit erop te wachten, maar jaarlijks krijgen ongeveer 1,5 miljoen mensen in Nederland ermee te maken. Om effectief aan preventie te doen, is inzicht in het aantal en soort sportblessures onmisbaar. Dit kan met het web-based Blessure Informatie Systeem (BIS) van TNO Kwaliteit

  20. Blessures badmington (BIS): blessurevrij badmintonnen?

    NARCIS (Netherlands)

    Hespen, A. van; Stubbe, J.; Stege, J.; Ooijendijk, W.

    2008-01-01

    Sportblessures: niemand zit erop te wachten, maar jaarlijks krijgen ongeveer 1,5 miljoen mensen in Nederland ermee te maken. Om effectief aan preventie te doen, is inzicht in het aantal en soort sportblessures onmisbaar. Dit kan met het web-based Blessure Informatie Systeem (BIS) van TNO Kwaliteit

  1. Bis(1,3-dithiole) Compounds

    DEFF Research Database (Denmark)

    Andersen, Jan Rud; Engler, E. M.; Green, D. C.

    1977-01-01

    There is described the preparation of bis-1,3-dithiole compounds (I) which are key synthetic precursors for the preparation of new polymeric metal bis(dithiolene) (i.e., II) and tetrathiafulvalene compounds (i.e., III): (Image Omitted)...

  2. (Acetonitrile[bis(2-pyridylmethylamine]bis(perchloratocopper(II

    Directory of Open Access Journals (Sweden)

    Ray J. Butcher

    2008-01-01

    Full Text Available In the title compound, [Cu(ClO42(C12H13N3(C2H3N], the CuII atom is six-coordinate in a Jahn–Teller distorted octahedral geometry, with coordination by the tridentate chelating ligand, an acetonitrile molecule, and two axial perchlorate anions. The tridentate ligand bis(2-pyridylmethylamine chelates meridionally and equatorially while an acetonitrile molecule is coordinated at the fourth equatorial site. The two perchlorate anions are disordered with site occupancy factors of 0.72/0.28. The amine H is involved in intramolecular hydrogen bonding to the perchlorate O atoms and there are extensive but weak intermolecular C—H...O interactions.

  3. methanes and di-bis(indolyl)methanes

    African Journals Online (AJOL)

    a

    INDOLYL)METHANES AND DI-BIS(INDOLYL)METHANES. Alireza Hasaninejad1*, Abdolkarim Zare2*, Hashem Sharghi3, Reza Khalifeh3 and Ahmad Reza. Moosavi Zare3. 1Department of Chemistry, Faculty of Sciences, Persian Gulf University ...

  4. Briefwechsel uber die Partikel "bis" (An Exchange of Letters about the Particle "bis").

    Science.gov (United States)

    Ludwig, Horst; Holschuh, Albrecht

    1990-01-01

    A discussion, in the form of an animated letter exchange, argues that, contrary to most current grammatical descriptions, the German particle "bis" should not be viewed as a preposition governing the accusative case. Rather, it is demonstrated that "bis" most often occurs as a proclitic adverb. (16 references) (JTC)

  5. coordination polymers derived from two different bis-pyridyl-bis-am

    Indian Academy of Sciences (India)

    Three new Ni(II) coordination polymers exhibiting different 1D and 2D framework structures have been hydrothermally ... Keywords. Metal-organic coordination polymer; crystal structure; bis-pyridyl-bis-amide ligand; fluorescence; photocatalysis ... materials for luminescence, catalysis, gas storage and separation, magnetism ...

  6. XENON ANESTHESIA IN CHILDREN: BIS-MONITORING

    Directory of Open Access Journals (Sweden)

    V. G. Bagaev

    2013-01-01

    Full Text Available We conducted 60 low-flow xenon anesthesias in children of 1-18 years of age. We measured the sedation level using bispectral (BIS index and clinically on the stage of induction, xenon anesthesia maintenance and during recovery. The trial showed that, according to the clinical and BIS-monitoring data, sevoflurane inhalational induction in children of 1-5 years of age and propofol intravenous induction in children of 6-18 years of age provides children with the required sedation level. BIS index objectively reflects intensity of the sedative component of an anesthesia both in the junior and the senior age groups on the stages of xenon anesthesia maintenance and during recovery.

  7. 40 CFR 721.1187 - Bis(imidoethylene) benzene.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Bis(imidoethylene) benzene. 721.1187... Substances § 721.1187 Bis(imidoethylene) benzene. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance bis(imidoethylene)benzene (PMN P-93-1447) is subject to reporting...

  8. 40 CFR 721.5925 - Bis heterocyclic phenylene derivative (generic).

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Bis heterocyclic phenylene derivative... Specific Chemical Substances § 721.5925 Bis heterocyclic phenylene derivative (generic). (a) Chemical... as bis heterocyclic phenylene derivative (PMN P-01-0432) is subject to reporting under this section...

  9. Infrared characteristics of the BIS catalog objects

    Science.gov (United States)

    Gaudenzi, S.; Nesci, R.; Rossi, C.; Sclavi, S.; Gigoyan, K. S.; Mickaelian, A. M.

    2017-10-01

    We studied several color-color infrared diagrams of the 276 late type stars of the BIS catalog. For 95 of these stars we derived spectral classification from our slit spectroscopy. From the 2MASS color diagram we concluded that none of the sample stars is a dwarf. The WISE 3.4-12 vs 12-22 plot is the best to discriminate the variability type (Mira, irregular and not-variable), as well as carbon stars. IRAS colors are less useful due to the poor quality of the data for most of the BIS stars. Mixed plots involving 2MASS, AKARI and WISE were also explored: the 2MASS-AKARI J-[S09] vs [S09]-[L18] plot is efficient to discriminate carbon and Mira stars. From the color plots and our spectroscopy we can statistically predict that in the whole BIS catalog no other dusty carbon star is present, while a few Miras and CH or R carbon stars could be discovered. Only about 15% of the BIS stars are of early M type.

  10. Synthesis of the diphenylacetylene-based, tetra-amine ligand 12,-bis(3,5-bis[(dimethylamino)metyl)acetylene by palladium-catalysed cross-coupling : Isolation and crystal structure of the catalyst trans-(3,5-bis[(dimethylamino)methyl]-phenyl)bis(triphenylphosphine palladium(II) iodide

    NARCIS (Netherlands)

    Koten, G. van; Spee, M.P.R.; Ader, B.A.; Steenwinkel, P.; Kooijman, H.; Spek, A.L.

    2000-01-01

    Reaction of 3, 5-bis[(dimethylamino)methyl]phenyl iodide with 3,5-bis[(dimethylamino)methyl]phenylacetylene in diethylamine in the presence of bis(triphenylphosphine)palladium(II) dichloride (3.6 mol%) and copper(I) iodide (3.0 mol%) gave 1,2-(bis(3,5-bis[(dimethylamino)methyl]phenyl)acetylene (1)

  11. Comparisons Between Tridentate Bis(benzazoles-pyridine and Bis(benzazolestriazine Ligands: a Theoretical Study

    Directory of Open Access Journals (Sweden)

    Mihaiela Andoni

    2015-12-01

    Full Text Available Twelve bis(benzazole structures with potential ligand character were investigated by means of computational chemistry. Global and local reactivity descriptors within DFT (Density Functional Theory theory (Fukui functions, chemical potential, hardness, electrophilicity index have been computed at B3LYP/6-31G(d,p level of theory. NICS(0 (Nucleus Independent Chemical Shift index computations were employed for the evaluation of the local aromatic character of each heterocyclic moiety. Best results have been reported for the bis(benzimidazole derivatives. Copper and zinc complexes of the investigated tridentate ligands have been proposed.

  12. Accelerated optical holographic recording using bis-DNO

    DEFF Research Database (Denmark)

    Rasmussen, Palle H.; Ramanujam, P.S.; Hvilsted, Søren

    1999-01-01

    The design, synthesis and optical holographic recording properties of bis-DNO are reported. Bis-DNO is composed of two identical azobenzene oligoornithine segments (DNO) connected via a dipeptide linker. The two segments were assembled in a parallel fashion at the two amino groups of the dipeptide...... linker by Merrifield synthesis. Surprisingly, the response time of films of bis-DNOs was found to be much faster than that of their linear counterparts. (C) 1999 Elsevier Science Ltd. All rights reserved....

  13. Hetero-Diels-Alder approach to Bis(indolyl)methanes.

    Science.gov (United States)

    Grosso, Carla; Cardoso, Ana L; Rodrigues, Maria João; Marques, Cátia; Barreira, Luísa; Lemos, Américo; Pinho E Melo, Teresa M D V

    2017-02-01

    A novel synthetic approach to bis(indolyl)methanes has been established. Our one-pot synthetic strategy based on two consecutive hetero-Diels-Alder cycloaddition reactions of electrophilic conjugated nitrosoalkenes with indoles was extended to a range of new 1-hydroxyiminomethyl-bis(indolyl)methanes. Furthermore, a similar and broad range approach was applied to the synthesis of previously unknown 1-hydrazonomethyl-bis(indolyl)methanes. The biological evaluation of the new bis(indolyl)methanes as anti-cancer agents was investigated. Copyright © 2016 Elsevier Ltd. All rights reserved.

  14. Poly[bis[μ-1,4-bis(imidazol-1-ylmethylbenzene]dichloridocadmium(II

    Directory of Open Access Journals (Sweden)

    Xinliang Hu

    2008-07-01

    Full Text Available The title compound, [CdCl2(C14H14N42]n, has a slightly distorted octahedral coordination geometry, formed by four N atoms from 1,4-bis(imidazol-1-ylmethylbenzene ligands and two Cl atoms, giving a two-dimensional network. The Cd atom lies on a centre of inversion.

  15. Dimethylammonium bis(3-oxidonaphthalene-2-carboxylatoborate hemihydrate

    Directory of Open Access Journals (Sweden)

    Mustafa Tombul

    2008-01-01

    Full Text Available The title compound, C2H8N+·C22H12BO6−·0.5H2O, was synthesized under atmospheric conditions in the presence of dimethylformamide acting as a template. The structure is composed of [NH2(CH32]+ cations, bis(3-oxidonaphthalene-2-carboxylatoborate anions and water molecules. The water molecule lies on a twofold rotation axis. The stabilization of the crystal structure comes from electrostatic interactions and is assisted by intermolecular O—H...O and N—H...O hydrogen bonds between the layers.

  16. Bis(hinokitiolato)copper(II): modification (III).

    Science.gov (United States)

    Ho, Douglas M

    2010-06-01

    Bis(hinokitiolato)copper(II), Cu(hino)(2), exhibits both antibacterial and antiviral properties, and has been previously shown to exist in two modifications. A third modification has now been confirmed, namely tetrakis(mu(2)-3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)tricopper(II)-bis(mu(2)-3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)bis[(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)copper(II)] (1/1), [Cu(C(10)H(11)O(2))(2)](3).[Cu(C(10)H(11)O(2))(2)](2), where 3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olate is the systematic name for the hinokitiolate anion. This new modification is composed of discrete [cis-Cu(hino)(2)](2)[trans-Cu(hino)(2)] trimers and [cis-Cu(hino)(2)](2) dimers. The Cu atoms are bridged by mu(2)-O atoms from the hinokitiolate ligands to give distorted square-pyramidal and distorted octahedral Cu(II) coordination environments. Hence, the Cu(II) environments are CuO(5)/CuO(6)/CuO(5) for the trimer and CuO(5)/CuO(5) for the dimer. Each trimer and dimer has crystallographically imposed inversion symmetry. The trimer has never been observed before, the dimer has been seen only once before, and the combination of the two together in the same lattice is unprecedented. The CuO(5) cores exhibit four strong basal Cu-O bonds [1.915 (2)-1.931 (2) A] and one weak apical Cu-O bond [2.652 (2)-2.658 (2) A]. The CuO(6) core exhibits four strong equatorial Cu-O bonds [1.922 (2)-1.929 (2) A] and two very weak axial Cu-O bonds [2.911 (3) A]. The bite angles for the chelating hinokitiolate ligands range from 83.13 (11) to 83.90 (10) degrees .

  17. Synthesis, spectral and structural properties of bis-imidazoline selones

    Indian Academy of Sciences (India)

    New biphenyl derivatives of bis-imidazoline selones were synthesized in good yield and characterized by multinuclear (1D and 2D) NMR and UV-vis studies. The solid state structures of bis-imidazoline selones were further confirmed by single crystal X ray diffraction technique.

  18. Studies on Bis(Para Anisidine Acetylacetonato) Nickel (II) Complex ...

    African Journals Online (AJOL)

    Studies on Bis(Para Anisidine Acetylacetonato) Nickel (II) Complex. HN Aliyu, UL Bilyamin. Abstract. Schiff base was prepared from the reaction of para anisidine and acetylacetone. Bis(para anisidineacetylacetonato)nickel(II) complex was synthesized by the reaction of the prepared para anisidineacetylacetone ligand and ...

  19. Synthesis & Characterization of New bis-Symmetrical Adipoyl ...

    African Journals Online (AJOL)

    Full Title: Synthesis and Characterization of New bis-Symmetrical Adipoyl, Terepthaloyl, Chiral Diimido-di-L-alanine Diesters and Chiral Phthaloyl-L-alanine Ester of Tripropoxy p-tert-Butyl Calix[4]arene and Study of Their Hosting Ability for Alanine and Na+. Bis-symmetrical tripropoxy p-tert-butyl calix[4]arene esters were ...

  20. 29 CFR 1915.1008 - bis-Chloromethyl ether.

    Science.gov (United States)

    2010-07-01

    ... 29 Labor 7 2010-07-01 2010-07-01 false bis-Chloromethyl ether. 1915.1008 Section 1915.1008 Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR... § 1915.1008 bis-Chloromethyl ether. Note: The requirements applicable to shipyard employment under this...

  1. 29 CFR 1910.1008 - bis-Chloromethyl ether.

    Science.gov (United States)

    2010-07-01

    ... 29 Labor 6 2010-07-01 2010-07-01 false bis-Chloromethyl ether. 1910.1008 Section 1910.1008 Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR... bis-Chloromethyl ether. See § 1910.1003, 13 carcinogens. ...

  2. A bis-calixarene from olefin metathesis

    Directory of Open Access Journals (Sweden)

    Shimelis T. Hailu

    2012-06-01

    Full Text Available A ring-closing olefin metathesis reaction of tetrakis(allyloxycalix[4]arene gave the bis calixarene, (15E,40E,60E-65,74-bis(prop-2-en-1-yloxy-13,18,38,43,58,63-hexaoxadodecacyclo[28.26.8.720,36.111,45.151,55.05,57.07,12.019,24.026,64.032,37.044,49.168,72]tetraheptaconta-1,3,5(57,7,9,11,15,19(24,20,22,26,28,30(64,32,34,36,40,44(49,45,47,51,53,55(65,60,68,70,72(74-heptacosaene, C74H68O8. It is a cage formed from two calix[4]arene units joined by butenyl groups at three of the O atoms on the narrow rim. The fourth O atom on each calixarene unit is joined with an allyl group. Each of the calix[4]arene units has a flattened cone conformation in which the allyloxy-substituted aryl group and the opposite aryl group are close together and almost parallel [dihedral angle between planes = 1.09 (11°], and the other two aryl groups are splayed outward [dihedral angle between planes = 79.53 (11°]. No guest molecule (e.g. solvent was observed within the cage. The alkene C atoms of one of the links between the calixarene moieties are disordered over two orientations with occupancies of 0.533 (9 and 0.467 (9.

  3. High pressure synthesis of BiS2

    DEFF Research Database (Denmark)

    Søndergaard-Pedersen, Simone; Nielsen, Morten Bormann; Bremholm, Martin

    crystal structures and electrical properties.1,2 Up until now, the most sulfur rich phase in the Bi-S phase diagram was Bi2S3.3 For BiS2 the Bi atoms have anisotropic charge distribution and more complex structures are expected when comparing the layered structures of transition metal dichalcogenides....... The possibilities of using high pressure synthesis to discover new phases in the Bi-S binary system were investigated as early as the 1960’s.4 The research led to discovery of a compound with BiS2 stoichiometry, but no structure solution of BiS2 was reported. A reason behind making this new phase is to study...

  4. Bis(μ-bis{[4-(2-pyridylpyrimidin-2-yl]sulfanyl}methanedisilver(I bis(perchlorate

    Directory of Open Access Journals (Sweden)

    Hai-Bin Zhu

    2010-12-01

    Full Text Available In the macrocyclic centrosymmetric dinuclear complex, [Ag2(C19H14N6S22](ClO42, the AgI atom, bis{[4-(2-pyridylpyrimidin-2-yl]sulfanyl}methane (2-bppt ligand and perchlorate anion each lie on a twofold rotation axis. The 2-bppt ligand chelates two four-coordinated AgI atoms through its two bipyridine-like arms. The O atoms of the perchlorate anion are disordered each over two positions of equal occupancy. Adjacent complex molecules are linked by π–π interactions between the pyridine and pyrimidine rings [centroid–centroid distance = 3.663 (8 Å].

  5. Bis[N,N-bis(diphenylphosphanylpentylamine-κ2P,P′]platinum(II bis(hexafluoridophosphate dichloromethane disolvate

    Directory of Open Access Journals (Sweden)

    Ilana Engelbrecht

    2010-08-01

    Full Text Available The PtII atom in the title compound, [Pt(C29H31NP22](PF62·2CH2Cl2, is coordinated by four P atoms from two bis(diphenylphosphanylpentylamine ligands with an average Pt—P distance of 2.300 (1 Å. The coordination around the PtII atom shows a highly distorted square-planar geometry, as evidenced by the P—Pt—P bite angles of 70.45 (3 and 70.64 (3°. The asymmetric unit contains two hexafluoridophosphate ions, the metal complex and two dichloromethane solvent molecules. One of the chloride atoms of one of the dichloromethane molecules is disordered over two sites in a 0.515 (3:0.485 (3 ratio. C—H...F hydrogen bonds stabilize the crystal packing.

  6. Atomic layer deposition of molybdenum oxide using bis(tert-butylimido)bis(dimethylamido) molybdenum

    Energy Technology Data Exchange (ETDEWEB)

    Bertuch, Adam, E-mail: abertuch@ultratech.com; Sundaram, Ganesh [Ultratech/Cambridge NanoTech, 130 Turner Street, Waltham, Massachusetts 02453 (United States); Saly, Mark; Moser, Daniel; Kanjolia, Ravi [SAFC Hitech, 1429 Hilldale Avenue, Haverhill, Massachusetts 01832 (United States)

    2014-01-15

    Molybdenum trioxide films have been deposited using thermal atomic layer deposition techniques with bis(tert-butylimido)bis(dimethylamido)molybdenum. Films were deposited at temperatures from 100 to 300 °C using ozone as the oxidant for the process. The Mo precursor was evaluated for thermal stability and volatility using thermogravimetric analysis and static vapor pressure measurements. Film properties were evaluated with ellipsometry, x-ray photoelectron spectroscopy, secondary ion mass spectroscopy, and secondary electron microscopy. The growth rate per cycle was determined to extend from 0.3 to 2.4 Å/cycle with <4% nonuniformity (1-sigma) with-in-wafer across a 150 mm wafer for the investigated temperature range.

  7. Crystal structure of bis[bis(4-azaniumylphenyl sulfone] tetranitrate monohydrate

    Directory of Open Access Journals (Sweden)

    Amani Hind Benahsene

    2017-11-01

    Full Text Available In the title compound, the hydrated tetra(nitrate salt of dapsone (4,4′-diaminodiphenylsulfone, 2C12H14N2O2S2+·4NO3−·H2O {alternative name: bis[bis(4,4′-diazaniumylphenyl sulfone] tetranitrate monohydrate}, the cations are conformationally similar, with comparable dihedral angles between the two benzene rings in each of 70.03 (18 and 69.69 (19°. In the crystal, mixed cation–anion–water molecule layers lying parallel to the (001 plane are formed through N—H...O, O—H...O and C—H...O hydrogen-bonding interactions and these layers are further extended into an overall three-dimensional supramolecular network structure. Inter-ring π–π interactions are also present [minimum ring centroid separation = 3.693 (3 Å].

  8. Bis{N,N-bis[(diphenylphosphanylmethyl]aniline-κ2P,P′}copper(I tetrafluoridoborate

    Directory of Open Access Journals (Sweden)

    Qing-Ling Ni

    2011-01-01

    Full Text Available In the cation of the title compound, [Cu(C32H29NP22]BF4, the CuI atom is four-coordinated in a distorted tetrahedral geometry by four P atoms from two N,N-bis[(diphenylphosphanylmethyl]aniline ligands. In the crystal, the cations are linked by C—H...π interactions, forming chains along the a axis. Intramolecular C—H...N and intermolecular C—H...F hydrogen bonds are also observed.

  9. Bis[N,N'-bis(diphenylmethylene)ethylenediamine-2N,N']copper(I) dichlorocuprate(I)

    NARCIS (Netherlands)

    Mirkhani, Valiollah; Harkema, Sybolt; Kia, Reza

    2004-01-01

    The 1:1 adduct of N,N'-bis(diphenylmethylene)ethylenediamine (bz2en) with copper(I) chloride, viz. [Cu(C28H24N2)2][CuCl2], has been synthesized. The structure contains cationic moieties of CuI ions (Cu on a twofold axis) coordinated to four N atoms of two bz2en molecules (in a distorted tetrahedron)

  10. Spectral Properties and Variability of BIS objects

    Science.gov (United States)

    Gaudenzi, S.; Nesci, R.; Rossi, C.; Sclavi, S.; Gigoyan, K. S.; Mickaelian, A. M.

    2017-10-01

    Through the analysis and interpretation of newly obtained and of literature data we have clarified the nature of poorly investigated IRAS point sources classified as late type stars, belonging to the Byurakan IRAS Stars catalog. From medium resolution spectroscopy of 95 stars we have strongly revised 47 spectral types and newly classified 31 sources. Nine stars are of G or K types, four are N carbon stars in the Asymptotic Giant Branch, the others being M-type stars. From literature and new photometric observations we have studied their variability behaviour. For the regular variables we determined distances, absolute magnitudes and mass loss rates. For the other stars we estimated the distances, ranging between 1.3 and 10 kpc with a median of 2.8 kpc from the galactic plane, indicating that BIS stars mostly belong to the halo population.

  11. Ideas. A History: From Fire to Freud. 2. ed.; Ideen. Eine Kulturgeschichte von der Entdeckung des Feuers bis zur Moderne

    Energy Technology Data Exchange (ETDEWEB)

    Watson, P.

    2005-07-01

    In this hugely ambitious and exciting book Peter Watson tells the history of ideas from prehistory to the present day, seeking a new way to tell the history of the world. The book begins over a million years ago with a discussion of how the earliest ideas might have originated. Looking at animal behaviour that appears to require some thought tool-making, territoriality, counting, language (or at least sounds), pairbonding Peter Watson moves on to the apeman and the development of simple ideas such as cooking, the earliest language, the emergence of family life. All the obvious areas will be tackled the Ancient Greeks, Christian theology, the ideas of Jesus, astrological thought, the soul, the self, beliefs about the heavens, the ideas of Islam, the Crusades, humanism, the Renaissance, Gutenberg and the book, the scientific revolution, the age of discovery, Shakespeare, the idea of Revolution, the Romantic imagination, Darwin, imperialism, modernism, Freud right up to the present day and the internet. (orig./GL) [German] Beginnt die Ideengeschichte der Menschheit, als die Fruehmenschen erstmals Feuer machen, vor ca. 1,8 Millionen Jahren? Oder schon mit dem ersten Faustkeil vor etwa 2,5 Millionen Jahren? Warum entwickelte sich vor 40 000 Jahren eine komplexe Sprache? Wie kamen das Minus- und das Plus-Zeichen in die Vorstellungswelt, und wie entstand das Bild vom Paradies? Peter Watson laedt ein zu einer Expedition durch die abenteuerliche Welt menschlicher Ideen. Vom ersten Feuer, dem ersten Werkzeug und den ersten Worten ueber die Geburt der Goetter, die ersten Gesetze und die Entwicklung grosser Zentren von Wissen und Weisheit bis hin zu den umwaelzenden Ideen der Moderne: das Groesste und das Kleinste, das Selbst-Bewusstsein des Individuums und die Entdeckung des Unbewussten. Dabei ordnet Watson die riesige Materialfuelle nach drei zentralen Ideen, die fuer ihn die Geschichte der Menschheit praegen: die Seele, mehr als die Idee von einem Gott, Europa, mehr als das

  12. Mono- and bis-thiazolium salts have potent antimalarial activity.

    Science.gov (United States)

    Hamzé, Abdallah; Rubi, Eric; Arnal, Pascal; Boisbrun, Michel; Carcel, Carole; Salom-Roig, Xavier; Maynadier, Marjorie; Wein, Sharon; Vial, Henri; Calas, Michèle

    2005-05-19

    Three new series comprising 24 novel cationic choline analogues and consisting of mono- or bis (N or C-5-duplicated) thiazolium salts have been synthesized. Bis-thiazolium salts showed potent antimalarial activity (much superior to monothiazoliums). Among them, bis-thiazolium salts 12 and 13 exhibited IC(50) values of 2.25 nM and 0.65 nM, respectively, against P. falciparum in vitro. These compounds also demonstrated good in vivo activity (ED(50)

  13. BisQC: an operational pipeline for multiplexed bisulfite sequencing.

    Science.gov (United States)

    Chen, Gary G; Diallo, Alpha B; Poujol, Raphaël; Nagy, Corina; Staffa, Alfredo; Vaillancourt, Kathryn; Lutz, Pierre-Eric; Ota, Vanessa K; Mash, Deborah C; Turecki, Gustavo; Ernst, Carl

    2014-04-16

    Bisulfite sequencing is the most efficient single nucleotide resolution method for analysis of methylation status at whole genome scale, but improved quality control metrics are needed to better standardize experiments. We describe BisQC, a step-by-step method for multiplexed bisulfite-converted DNA library construction, pooling, spike-in content, and bioinformatics. We demonstrate technical improvements for library preparation and bioinformatic analyses that can be done in standard laboratories. We find that decoupling amplification of bisulfite converted (bis) DNA from the indexing reaction is an advantage, specifically in reducing total PCR cycle number and pre-selecting high quality bis-libraries. We also introduce a progressive PCR method for optimal library amplification and size-selection. At the sequencing stage, we thoroughly test the benefits of pooling non-bis DNA library with bis-libraries and find that BisSeq libraries can be pooled with a high proportion of non-bis DNA libraries with minimal impact on BisSeq output. For informatics analysis, we propose a series of optimization steps including the utilization of the mitochondrial genome as a QC standard, and we assess the validity of using duplicate reads for coverage statistics. We demonstrate several quality control checkpoints at the library preparation, pre-sequencing, post-sequencing, and post-alignment stages, which should prove useful in determining sample and processing quality. We also determine that including a significant portion of non-bisulfite converted DNA with bisulfite converted DNA has a minimal impact on usable bisulfite read output.

  14. {3-[Bis(2-pyridylmethyl-κNamino-κN]propanol}bis(nitrato-κOcopper(II

    Directory of Open Access Journals (Sweden)

    Kil Sik Min

    2011-01-01

    Full Text Available In the title compound, [Cu(NO32(C15H19N3O], the CuII ion is coordinated by the N atoms of the tetradentate 3-[bis(2-pyridylmethylamino]propanol ligand and two O atoms from two monodentate nitrate anions, resulting in a distorted square-pyramidal environment. An intermolecular O—H...O hydrogen-bonding interaction between the free hydroxy group of the ligand and a nitrate O atom of an adjacent complex unit, gives a chain structure which extends across the (101 planes.

  15. Synthesis of the bis-spiroacetal C25-C40 moiety of the antimitotic agent spirastrellolide B using a bis-dithiane deprotection/spiroacetalisation sequence.

    Science.gov (United States)

    Chen, Jack Li-Yang; Brimble, Margaret A

    2010-06-14

    Use of a bis-dithiane deprotection-tandem bis-spiroacetalisation sequence was key to the successful synthesis of the [5,6,6]-bis-spiroacetal of the antimitotic agent spirastrellolide B, achieved in a highly convergent fashion involving successive dithiane alkylations.

  16. A review on bis-hydrazonoyl halides: Recent advances in their synthesis and their diverse synthetic applications leading to bis-heterocycles of biological interest

    Directory of Open Access Journals (Sweden)

    Ahmad Sami Shawali

    2016-11-01

    Full Text Available This review covers a summary of the literature data published on the chemistry of bis-hydrazonoyl halides over the last four decades. The biological activities of some of the bis-heterocyclic compounds obtained from these bis-hydrazonoyl halides are also reviewed and discussed.

  17. Safety assessment of bis-diglyceryl polyacyladipate-2 and bis-diglyceryl polyacyladipate-1 as used in cosmetics.

    Science.gov (United States)

    Fiume, Monice M; Bergfeld, Wilma F; Belsito, Donald V; Hill, Ronald A; Klaassen, Curtis D; Liebler, Daniel C; Marks, James G; Shank, Ronald C; Slaga, Thomas J; Snyder, Paul W; Andersen, F Alan

    2013-01-01

    The Cosmetic Ingredient Review Expert Panel assessed the safety of bis-diglyceryl polyacyladipate-2 and bis-diglyceryl polyacyladipate-1 as used in cosmetics, finding that these ingredients are safe in cosmetic formulations in the present practices of use and concentration. Both ingredients are lanolin substitutes and are reported to function in cosmetics as skin-conditioning agents--emollients. The Panel reviewed available animal and clinical data in making its determination of safety.

  18. Verification of the computer code ATHLET in the framework of the external verification group ATHLET BETHSY test 5.2c - total loss of feedwater. Final report; Verifikation des ATHLET-Rechenprogramms im Rahmen der externen Verifikationsgruppe ATHLET BETHSY Test 5.2c - Totalverlust des Speisewassers. Abschlussbericht

    Energy Technology Data Exchange (ETDEWEB)

    Krepper, E.; Schaefer, F. [Forschungszentrum Rossendorf e.V. (FZR) (Germany). Inst. fuer Sicherheitsforschung

    1998-08-01

    Speisewasserversorgung auf der Dampferzeugersekundaerseite. Spezielles Interesse gilt hierbei den Moeglichkeiten der Notkuehlung durch primaeres Bleed and Feed, dem Verhalten der Dampferzeuger bei sekundaerseitiger Austrocknung und dem Langzeitverhalten der Anlage bis zum Einspeisen der einzelnen Notkuehlsysteme. Im Verlauf der Transiente erfolgt die Einspeisung sowohl aus dem Hochdrucknotkuehlsystem als auch aus den Druckspeichern und dem Niederdrucknotkuehlsystem. Die Auswertung der Rechnungen zeigt, dass praktisch alle wesentlichen Phaenomene im Verlauf der Transiente korrekt wiedergegeben werden. Als ein wesentlicher Einflussfaktor auf die Qualitaet der Rechnungen hat sich die Modellierung der Waermeverluste, welche an der Versuchsanlage teilweise durch eine Zusatzheizung (Trace Heating) kompensiert werden, herausgestellt. Werden die Waermeverluste im Primaerkreis falsch berechnet, so ergeben sich signifikante Abweichungen im Verlauf des Primaerdrucks. Da alle Prozesse im weiteren druckgesteuert erfolgen, wirken sich Abweichungen im Primaerdruck besonders stark auf den Verlauf der Transiente aus. Die Ergebnisse der Rechnungen zeigen darueberhinaus, dass die sicherheitsrelevante Aussage des Experiments durch den Code ATHLET reproduziert wird. (orig.)

  19. Apoptosis and survivability of human dental pulp cells under exposure to Bis-GMA

    Directory of Open Access Journals (Sweden)

    Junya Yano

    2011-06-01

    Full Text Available OBJECTIVE: In the present study, we examined whether 2, 2-bis [4-(2-hydroxy-3-methacryloxypropoxy phenyl] propane (Bis-GMA has effects on LSC2 cells, human dental pulp cell line. MATERIAL AND METHODS: The viability, cell cycle, and morphology of LSC2 cells were analyzed after exposure to several different concentrations of Bis-GMA. The recovery of viability of Bis-GMA exposed cells was also analyzed in the condition without Bis-GMA. Further, penetration of Bis-GMA to dentin disc was examined using isocratic high-performance liquid chromatography. RESULTS: There was a concentration-dependent decrease in cell proliferation and an increase in cell number in the sub-G1 population after exposure to Bis-GMA. Furthermore, the cells showed typical characteristics of apoptotic cells after the exposure to high concentration of Bis-GMA. In contrast, cells exposed to lower concentrations of Bis-GMA recovered their viability after being cultured without Bis-GMA. We also found that Bis-GMA is capable of penetrating 1-mm-thick dentin discs, though the penetrated concentration was lower than that showing cytotoxicity. CONCLUSION: These results suggest that Bis-GMA has cytotoxic effects, though dental pulp exposed to lower concentrations is able to recover their viability when Bis-GMA is removed.

  20. Synthesis and biological study of novel methylene-bis-benzofuranyl-

    Directory of Open Access Journals (Sweden)

    Sanjeeva R. Cherkupally

    2008-12-01

    Full Text Available A series of novel methylene-bis-[1,5]-benzothiazepines 4 and methylene-bis-benzofuranyl-[1,5]-benzothiazepines 5 were prepared by the reaction of methylene-bis-chalcones 3 with 2-aminothiophenolfollowed by the condensation with -bromoacetophenone. The structures of the synthesized compounds wereconfirmed by their IR, 1H, 13C NMR and Mass spectral analyses. All the synthesized compounds were tested fortheir antimicrobial activity against Gram-positive, Gram-negative bacteria and fungi. Among the synthesizedcompounds, the compounds 4f, 4g, 5f and 5g were found to be the most active against Bacillus subtilis, Bacillussphaericus, Staphylococcus aureus, Klebsiella aerogenes and Chromobacterium violaceum. Similarly thesecompounds showed potent antifungal effect against Candida albicans, Aspergillus fumigatus, Trichophytonrubrum, and Trichophyton mentagrophytes. It is interesting to note that the compounds with heterocyclic ringsubstituents at the 4th position of benzothiazepine system displayed notable antibacterial activity, almost equalto that of streptomycin and penicillin.

  1. Bis(N-{bis[methyl(phenylamino]phosphoryl}-2,2,2-trichloroacetamidedinitratodioxidouranium(VI

    Directory of Open Access Journals (Sweden)

    Vladimir M. Amirkhanov

    2010-03-01

    Full Text Available In the title compound, [UO2L2(NO32] {L = N-{bis[methyl(phenylamino]phosphoryl}-2,2,2-trichloroacetamide, C16H17Cl3N3O2P}, the UVI ions are eight-coordinated by axial oxido ligands and six equatorial O atoms from the phosphoryl and nitrate groups in a distorted hexagonal–bipyramidal geometry. There are disordered fragments in the two coordinating L ligands: the trichloromethyl group is rotationally disordered between two orientations [occupancy ratio 0.567 (15:0.433 (15] in one ligand, and a methyl(phenylamine fragment is disordered over two conformations [occupancy ratio 0.60 (4:0.40 (4] in the other ligand. In the crystal structure, intramolecular N—H...O hydrogen bonds between the amine and nitrate groups are observed.

  2. Bis[μ-N-(tert-butyldimethylsilyl-N-(pyridin-2-ylmethylamido]bis[methylcobalt(II

    Directory of Open Access Journals (Sweden)

    Astrid Malassa

    2012-09-01

    Full Text Available The green title complex, [Co2(CH32(C12H21N2Si2], was obtained from bis{[μ-N-tert-butyldimethylsilyl-N-(pyridin-2-ylmethylamido]chloridocobalt(II} and methyllithium in diethyl ether at 195 K via a metathesis reaction. The dimeric cobalt(II complex exhibits a crystallographic center of inversion in the middle of the Co2N2 ring (average Co—N = 2.050 Å. The CoII atom shows a distorted tetrahedral coordination sphere. The exocyclic Co—N bond length to the pyridyl group shows a similar value of 2.045 (4 Å. The exocyclic methyl group has a rather long Co—C bond length of 2.019 (5 Å.

  3. Bis{2,6-bis[(2-hydroxy-5-methylphenyliminomethyl]pyridine} monohydrate

    Directory of Open Access Journals (Sweden)

    Muhammet Kose

    2011-12-01

    Full Text Available The title compound, 2C21H19N3O2·H2O, was synthesized by a Schiff base condensation of 2,6-diformylpyridine with 2-amino-4-methylphenol in ethanol. In the crystal, two molecules of 2,6-bis[(2-hydroxy-5-methylphenyliminomethyl]pyridine dimerize via hydrogen bonding to a water molecule, which lies on a twofold axis. There are also intramolecular phenol–imine hydrogen bonds. The dimers are further linked via π–π (phenyl–pyridine [centroid–centroid distance = 3.707 (2 Å] and π–π edge-to-edge [3.392 (2 Å] interactions. The dihedral angles between the central ring and the two pendant rings are 11.46 (8 and 2.06 (8° while the pendant rings make a dihedral angle of 10.14 (8°.

  4. cadmium(II) coordination polymers based on semi-rigid/flexible bis ...

    Indian Academy of Sciences (India)

    flexible bis-pyridyl-bis-amide ligands and. 5-aminoisophthalate: Syntheses, structures and properties. HONGYAN LINa, HUIZHE LUb, MAO LEa, JIAN LUANa, XIULI WANGa,∗ and. GUOCHENG LIUa. aDepartment of Chemistry, Bohai University, ...

  5. Synthesis of bis(indolyl)methanes Catalyzed by Triethylborane

    Science.gov (United States)

    Merinos, J. Pablo García; Ruíz, Heraclio López; López, Yliana; Lima, Susana Rojas

    2015-01-01

    Triethylborane (TEB) was found to be a mild, efficient, and acid catalyst in electrophilic substitution reaction of indoles with aldehydes compounds to afford the corresponding bis(indolyl)methanes. Vibrindole A (5) and bis(indolyl)methanes derivatives 16 and 18 were synthesized using this methodology. Compound 16 is an intermediary in the synthesis of the natural bisindoles arsindoline B (2) and streptindole (6). The structure of vibrindole A (5) was unequivocally confirmed by a single crystal X-ray diffraction analysis. PMID:26120289

  6. 40 CFR 721.10096 - Benzene, 1,4-bis (methoxymethyl)-.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Benzene, 1,4-bis (methoxymethyl)-. 721... Substances § 721.10096 Benzene, 1,4-bis (methoxymethyl)-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as benzene, 1,4-bis (methoxymethyl)- (PMN P-03...

  7. The triazine-based azo-azomethine dyes; synthesis, characterization, spectroscopy, solvatochromism and biological properties of 2,2'-(((6-methoxy-1,3,5-triazine-2,4-diyl)bis(sulfanediyl)bis(2,1-phenylene))bis(azanylylidene)bis(methanylylidene))bis(4-(phenyldiazenyl)phenol).

    Science.gov (United States)

    Ghasemian, Motaleb; Kakanejadifard, Ali; Azarbani, Farideh; Zabardasti, Abedin; Shirali, Somayeh; Saki, Zeinab; Kakanejadifard, Sahar

    2015-03-05

    The macrocyclic azo-azomethine dyes 2,2'-(((6-methoxy-1,3,5-triazine-2,4-diyl)bis(sulfanediyl)bis(2,1-phenylene))bis(azanylylidene)bis(methanylylidene))bis(4-(phenyldiazenyl)phenol) and its derivatives were synthesized and characterized by elemental analysis, mass, FT-IR, UV-vis and NMR spectroscopy. The solvatochromism as well as effects of substitutions on the electronic absorption of these compounds have been studied in the DMSO, DMF, THF, CH3CN, CH3OH and CH3COOH as solvents. Also they positive solvatochromism behaviors are explained on the basis of intramolecular hydrogen bonding, enol-keto tautomeric and dipole moment changes. Compounds having electron donating substituent on the phenyl ring showed good antioxidant activity. However, none of them has a considerable antibacterial activity. Copyright © 2014 Elsevier B.V. All rights reserved.

  8. The triazine-based azo-azomethine dyes; synthesis, characterization, spectroscopy, solvatochromism and biological properties of 2,2‧-(((6-methoxy-1,3,5-triazine-2,4-diyl)bis(sulfanediyl)bis(2,1-phenylene))bis(azanylylidene)bis(methanylylidene))bis(4-(phenyldiazenyl)phenol)

    Science.gov (United States)

    Ghasemian, Motaleb; Kakanejadifard, Ali; Azarbani, Farideh; Zabardasti, Abedin; Shirali, Somayeh; Saki, Zeinab; Kakanejadifard, Sahar

    2015-03-01

    The macrocyclic azo-azomethine dyes 2,2‧-(((6-methoxy-1,3,5-triazine-2,4-diyl)bis(sulfanediyl)bis(2,1-phenylene))bis(azanylylidene)bis(methanylylidene))bis(4-(phenyldiazenyl)phenol) and its derivatives were synthesized and characterized by elemental analysis, mass, FT-IR, UV-vis and NMR spectroscopy. The solvatochromism as well as effects of substitutions on the electronic absorption of these compounds have been studied in the DMSO, DMF, THF, CH3CN, CH3OH and CH3COOH as solvents. Also they positive solvatochromism behaviors are explained on the basis of intramolecular hydrogen bonding, enol-keto tautomeric and dipole moment changes. Compounds having electron donating substituent on the phenyl ring showed good antioxidant activity. However, none of them has a considerable antibacterial activity.

  9. Bis[tetraaqua(1,10-phenanthroline-κ2N,N′cobalt(II] hexaaquacobalt(II bis[3,5-bis(carboxylatomethoxybenzoate] tetrahydrate

    Directory of Open Access Journals (Sweden)

    Hui-Ying Song

    2010-12-01

    Full Text Available The title compound, [Co(C12H8N2(H2O4]2[Co(H2O6](C11H7O82·4H2O, was obtanied by the reaction of cobalt acetate with 3,5-bis(carboxymethoxybenzoic acid and 1,10-phenanthroline. The asymmetric unit contains one tetraaqua(1,10-phenanthrolinecobalt(II cation, one half of a hexaaquacobalt(II cation that is completed by inversion symmetry, one 3,5-bis(carboxylatomethoxybenzoate trianion and two lattice water molecules. The two CoII atoms each show a slightly distorted octahedral coordination (CoO6 and CoO4N2. The cations, anions and lattice water molecules are linked by an intricate network of O—H...O hydrogen bonds into a three-dimensional structure.

  10. Grinding technique for the tandem synthesis of bis coumarinyl ...

    African Journals Online (AJOL)

    Br) is easily used as an efficient and recyclable ionic liquid for the synthesis of bis coumarinyl methanes in the presence of a catalytic amount of ceric ammonium nitrate (CAN) under grinding. All reactions are performed in the absence of solvent ...

  11. The Synthesis of Novel Enclathration Compounds: Bis(9-amino-9 ...

    African Journals Online (AJOL)

    Four novel bis(9-amino-9-aryl-9H-thioxanthenes) were synthesized and their inclusion potential assessed by allowing them to crystallize slowly from organic solvents (single and binary mixtures). Only two of the compounds studied displayed inclusion ability and enclathrated several of the solvents studied.

  12. LA REINCIDENCIA VULNERA EL “NON BIS IN IDEM”

    Directory of Open Access Journals (Sweden)

    Roger Cabrera Paredes

    2011-06-01

    Full Text Available El presente artículo explica como la “Reincidencia vulnera el  Non bis in ídem”; empezamos con la “Introducción” que comprende los antecedentes, la formulación del problema y la justificación de esta investigación. Continuamos con las “Bases Teóricas”, la misma que comprende el sentido de los principios penales, el principio “Non bis in Idem”, la Reincidencia y la Problemática de la Reincidencia como vulneración del Principio Non bis in ídem. En la “Metodología”, encontramos la tipología y metodología de la investigación. En los “Resultados”,  están los análisis y la decisión final de las entrevistas y encuestas a Docentes y abogados especializados en el tema y al personal de Juzgados, Fiscalías y abogados, respectivamente, del Distrito Judicial de Iquitos de la Provincia de Maynas, región Loreto. En la “Discusión”, explicamos que la Reincidencia debe desaparecer porque va en contra del principio Non bis in ídem, colocando en las “Conclusiones” nuestra posición.

  13. LA REINCIDENCIA VULNERA EL “NON BIS IN IDEM”

    Directory of Open Access Journals (Sweden)

    Roger Cabrera-Paredes

    2011-07-01

    Full Text Available El presente artículo explica como la “Reincidencia vulnera el  Non bis in ídem”; empezamos con la “Introducción” que comprende los antecedentes, la formulación del problema y la justificación de esta investigación. Continuamos con las “Bases Teóricas”, la misma que comprende el sentido de los principios penales, el principio “Non bis in Idem”, la Reincidencia y la Problemática de la Reincidencia como vulneración del Principio Non bis in ídem. En la “Metodología”, encontramos la tipología y metodología de la investigación. En los “Resultados”,  están los análisis y la decisión final de las entrevistas y encuestas a Docentes y abogados especializados en el tema y al personal de Juzgados, Fiscalías y abogados, respectivamente, del Distrito Judicial de Iquitos de la Provincia de Maynas, región Loreto. En la “Discusión”, explicamos que la Reincidencia debe desaparecer porque va en contra del principio Non bis in ídem, colocando en las “Conclusiones” nuestra posición.

  14. Activation of peroxyl and molecular oxygen using bis-benzimidazole ...

    Indian Academy of Sciences (India)

    copper (II) – bis-benzmidazolediamide compounds is reminiscent of the functioning of copper centres in .... 3. Synthesis of complexes. 3.1 [CuCl (GBHA)] Cl. To a methanolic solution of CuCl2⋅2H2O (0⋅5 mmol) was added a methanolic solution of the ligand ...... was also confirmed by low temperature (120 K) EPR.

  15. Activation of peroxyl and molecular oxygen using bis-benzimidazole ...

    Indian Academy of Sciences (India)

    New tetradentate bis-benzimidazole ligands have been synthesized and utilized to prepare copper (II) complexes. Some of these copper (II) complexes have been characterized structurally. The copper (II) in these complexes is found to possess varying geometries. A distorted octahedral geometry is found with a highly ...

  16. Non bis in idem : De ontwikkeling van een beginsel

    NARCIS (Netherlands)

    van Hattum, W.F.

    2012-01-01

    Non bis in idem. The development of a principle The double jeopardy rule forbids a second prosecution for the same offence. The rule is applicable after irrevocable judgments: condemnations as well as acquittals. If a conviction is subsequently found to be wrong, it is annulled. But what if an

  17. 29 CFR 1926.1108 - bis-Chloromethyl ether.

    Science.gov (United States)

    2010-07-01

    ... 29 Labor 8 2010-07-01 2010-07-01 false bis-Chloromethyl ether. 1926.1108 Section 1926.1108 Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR...-Chloromethyl ether. Note: The requirements applicable to construction work under this section are identical to...

  18. Monitoring the depth of anesthesia with a BIS monitor

    Directory of Open Access Journals (Sweden)

    Andreja Möller-Petrun

    2010-01-01

    Conclusions: BIS monitor is a clinically usefull tool for monitoring the depth of general anesthesia. With its use we can easier avoid the dangers of too shallow or too deep anesthesia. With BISmonitor we cannot directly measure the level of analgesia. It is also important to keep in mind the factors, ot en present in clinical practice, which limit its usability.

  19. SYNTHESIS AND CHARACTERIZATION OF N, N'-BIS-(3 ...

    African Journals Online (AJOL)

    user

    deactivators, separation techniques and environmental chemistry. (Trevin et al., 1997). Perla et al. (2006) reported the synthesis of Ni (II) and Co(II) complexes with N,N'-. Bis(2-benzyl)ethylenediimine as modifying agents to produce chemically modified electrodes used to facilitate the detection of organic pollutants in water.

  20. 2,6-Bis(9-ethyl-9H-carbazolylmethylenecyclohexanone

    Directory of Open Access Journals (Sweden)

    Abdullah M. Asiri

    2009-10-01

    Full Text Available The title compound, 2,6-bis(ethyl-9-ethyl-9H-carbazolylmethylenecyclohexanone has been synthesized by condensation of 9-ethylcarbazole-3-aldehyde and cyclohexanone in ethanol in the presence of pyridine. The structure of this new compound was confirmed by elemental analysis, IR, 1H NMR, 13C NMR and EI-MS spectral analysis.

  1. Successful treatment of benign lesions by bis 3- azophenyl-4 ...

    African Journals Online (AJOL)

    The bis 3-azophenyl-4-hydroxy-6-methyl-pyran-2-one cobalt (II) prevents malignant conversion of chemically induced benign tumors and did not kill cancer cells but change them to normal cells. It was concluded that if the complex is given in the pre-malignant phase of tumor development, it decreases the risk of malignant ...

  2. Glucose selective bis-boronic acid click-fluor.

    Science.gov (United States)

    Zhai, Wenlei; Male, Louise; Fossey, John S

    2017-02-14

    Four novel bis-boronic acid compounds were synthesised via copper catalysed azide-alkyne cycloaddition (CuAAC) reactions. Glucose selectivity was observed for a particular structural motif. Moreover, a new glucose selective fluorescent sensor was designed and synthesised as a result.

  3. Multifunctional switches based on bis-imidazole derivative

    Indian Academy of Sciences (India)

    Administrator

    Abstract. A multifunctional bis-imidazole derived from piperonal was prepared and found to have photo, thermo, solvato and peiezochromism with colour changes from pale green to deep blue. The multi- functionality colour changes and stability of the coloured species make the derivative candidates for various applications ...

  4. SYNTHESIS OF BIS-QUINOXALINE DERIVATIVES USING TONSIL ...

    African Journals Online (AJOL)

    Synthesis of bis-quinoxaline derivatives using tonsil clay as a catalyst. Bull. Chem. Soc. Ethiop. 2016, 30(1). 135. ACKNOWLEDGEMENT. The authors thank Urmia University and Daana Pharmaceutical Co. for financial support. REFERENCES. 1. (a) Sakanta, G.; Makino, K.; Kurasawa, Y. Heterocycles 1998, 27, 2481.

  5. Preparation, Characterisation and In vivo Evaluation of Bis ...

    African Journals Online (AJOL)

    Purpose: To fabricate biodegradable nanoparticle formulation of bis-demethoxy curcumin analogue (BDMCA), a novel curcumin analogue, and evaluate its in vitro and in vivo characteristics. Methods: Nanoparticle formulations were fabricated by a double emulsion solvent evaporation technique using polycaprolactone as ...

  6. Polymerization behavior of butyl bis(hydroxymethyl)phosphine oxide ...

    Indian Academy of Sciences (India)

    lenovo

    Polymerization behavior of butyl bis(hydroxymethyl)phosphine oxide: Phosphorus containing polyethers for. Li‒ion conductivities. Heeralal Vignesh Babu, Billakanti Srinivas and Krishnamurthi Muralidharan*. School of Chemistry, University of Hyderabad, Hyderabad - 500046, India. Table of Contents. TGA plots of SPE2.

  7. The synthesis and structures of 1,1'-bis(sulfonyl)ferrocene derivatives.

    Science.gov (United States)

    Chanawanno, Kullapa; Holstrom, Cole; Crandall, Laura A; Dodge, Henry; Nemykin, Victor N; Herrick, Richard S; Ziegler, Christopher J

    2016-09-28

    A series of 1,1'-bis(sulfonyl)ferrocene compounds were produced via the 1,1'-bis(sulfonate)ferrocene ammonium salt. This compound can be readily converted to 1,1' bis(sulfonylchloride)ferrocene. By varying stoichiometry and reaction times, both mono- and bis-sulfonamide derivatives can be synthesized. All new compounds presented in this report have been structurally characterized. The structures of the bis-sulfonamide systems are similar to the well-studied bis(amide) ferrocene compounds. Intermolecular hydrogen bonding is observed, typically between NH and SO groups of neighboring sulfonamides. However in the bis(GABA) derivative, intermolecular NH to CO hydrogen bonding interactions are present.

  8. Half-Year Retest-Reliability of the Barratt Impulsiveness Scale–Short Form (BIS-15

    Directory of Open Access Journals (Sweden)

    Adrian Meule

    2015-03-01

    Full Text Available One of the most widely used instruments for the measurement of impulsivity is the Barratt Impulsiveness Scale (BIS-11. The short form of the BIS-11, the BIS-15, consists of 15 items representing the three subscales Attentional, Motor, and Non-Planning Impulsivity. In the current study, retest-reliabilities of BIS-15 scores were examined. Female university students completed the BIS-15 at the beginning of the first (n = 133 and second (n = 120 semesters. Half-year retest-reliability was rtt = .79 for the BIS-15 total score and ranged between rtt = .61 and .78 for the subscales. Considering the long time span of almost half a year between measurements, the total score of the BIS-15 has high retest-reliability and, thus, measures impulsivity as a stable personality trait.

  9. [μ2-Bis(diphenylphosphanylmethane][μ3-bis(diphenylphosphanylmethyl]trichloridotetragold(I tetrahydrofuran disolvate

    Directory of Open Access Journals (Sweden)

    Huan-Huan Wang

    2011-02-01

    Full Text Available The title tetranuclear complex, [Au4(C25H21P2Cl3(C25H22P2]·2C4H8O, features two non-equivalent Ph2PCPPh2 fragments, one of which represents the `complete' molecule (with two H atoms at the central C atom; each of the two P atoms of this molecule is coordinated by an Au atom [Au—P = 2.2256 (13 and 2.2710 (13 Å], and these two Au atoms form an Au—Au bond [3.2945 (3 Å], thus closing the five-membered Au2P2C ring. The first of these Au atoms has a terminal chlorido ligand [Au—Cl = 2.2806 (12 Å], whereas the second Au atom forms a covalent bond with the central C atom of the bis(diphenylphosphinomethyl group [Au—C = 2.114 (5 Å]; the latter group in turn coordinates with its P atoms the gold atoms of the Cl–Au–Au–Cl group [Au—P = 2.2356 (13 and 2.2338 (13, Au—Au = 3.3177 (3, Au—Cl = 2.3091 (12 and 2.2950 (13 Å], thus closing the second Au2P2C ring. The two such rings have different chemical functions, but both exhibit envelope conformations. However, the first (with different substituents at the Au atoms is non-symmetrical with one of the P atoms in the flap position of the envelope; the other one has a conformation with mirror symmetry, and the gold-substituted C atom is displaced by 0.740 (5 Å from the almost exactly planar (r.m.s. deviation = 0.0038 Å Au2P2 group.

  10. Conductivity and thermopower studies of bis-tetramethyltetraselenafulvalenium hexafluorophosphide, bis-tetramethyltetrathiafulvalenium hexafluorophosphide, and their solid solutions, (TMTSF1-xTMTTFx)2PF6

    DEFF Research Database (Denmark)

    Mortensen, Kell; Engler, E. M.

    1984-01-01

    The conductivity σ and the thermoelectric power S have been studied experimentally on the organic conductors bis-tetramethyltetraselenafulvalenium hexafluorophosphide [(TMTSF)2PF6] and bis-tetramethyltetrathiafulvalenium hexafluorophosphide [(TMTTF)2PF6] and their solid solutions: (TMTSF1-xTMTTFx)2...

  11. Synthesis of fluorinated poly(arylene ether)s with dibenzodioxin and spirobisindane units from new bis(pentafluorophenyl)- and bis(nonafluorobiphenyl)-containing monomers

    DEFF Research Database (Denmark)

    Tkachenko, Ihor M.; Belov, Nikolay A.; Kobzar, Yaroslav L.

    2017-01-01

    New series of 4,4′-bis(pentafluorophenyl)- and 4,4′-bis(nonafluorophenyl)-containing monomers based on hexafluorobenzene or decafluorobiphenyl as well as on para- and meta-connecting dihydroxyl-substituted compounds or tetrafluorobenzene- and 1,1,1,3,3,3-hexafluoropropane-based dihydroxyl-substit...

  12. 2,6-Bis(oxazolinyl)phenylnickel(II) Bromide and 2,6-Bis(ketimine)phenylnickel(II) Bromide: Synthesis, Structural Features, and Redox Properties

    NARCIS (Netherlands)

    Stol, M.; Snelders, D.J.M.; Godbole, M.D.; Havenith, R.W.A.; Haddleton, D.M.; Clarkson, G.; Lutz, M.; Spek, A.L.; van Klink, G.P.M.; van Koten, G.

    2007-01-01

    2,6-Bis(oxazolinyl)phenylnickel bromide complexes [NiBr(R,R'-Phebox)] (2) were synthesized via two synthetic routes (A and B). In route A, selective bis-ortho lithiation of [R,R'-PheboxBr], followed by a transmetalation reaction with [NiBr2(PEt3)2], yielded not only complexes 2 with an

  13. New adjacent Bis-tetrahydrofuran Annonaceous acetogenins from Annona muricata.

    Science.gov (United States)

    Chang, Fang-Rong; Liaw, Chih-Chuang; Lin, Chih-Yuan; Chou, Chi-Jung; Chiu, Hui-Fen; Wu, Yang-Chang

    2003-03-01

    Bioactivity-guided fractionation led to the isolation of two new Annonaceous acetogenins, annocatacin A ( 1). and annocatacin B ( 2). from the seeds and the leaves, respectively, of Annona muricata. Compounds 1 and 2 are the first examples where the adjacent bis-tetrahydrofuran ring system is located at C-15. The new structures were elucidated and characterized by spectral and chemical methods. Both Annonaceous acetogenins 1 and 2 showed significant in vitro cytotoxicity toward the human hepatoma cell lines, Hep G2 and 2,2,15, and were compared with the known adjacent bis-tetrahydrofuran acetogenins, neoannonin ( 3). desacetyluvaricin ( 4). bullatacin ( 5). asimicin ( 6). annoglaucin ( 7). squamocin ( 8). and rollimusin ( 9).

  14. (R,R-Disynephrine ether bis(hydrogen sulfate

    Directory of Open Access Journals (Sweden)

    William Arbuckle

    2009-08-01

    Full Text Available The asymmetric unit of the title compound [systematic name: (R,R-2,4-bis(4-hydroxyphenyl-N,N′-dimethyl-3-oxapentane-1,5-diammonium bis(hydrogen sulfate], C18H26N2O32+·2HSO4−, contains one half-cation and one hydrogen sulfate anion. The cation has crystallographically imposed twofold symmetry with the rotation axis passing through the central ether O atom. Hydrogen bonds between the hydroxy group and amine H atoms of the cation to two hydrogen sulfate anions link the three ions in a ring motif. A three-dimensional network is accomplished by additional O—H...O hydrogen bonds between the anions and by N—H...O hydrogen bonds between the cations. Disorder with equally occupied sites affects the H-atom position in the anion.

  15. Bis(indolyl)methane alkaloids: Isolation, bioactivity, and syntheses

    Digital Repository Service at National Institute of Oceanography (India)

    Praveen, P.; Parameswaran, P.S.; Majik, M.S.

    from two molecules of indole and an aldehyde/ketone using acid or base catalyst. But for a large scale synthesis, the method should be environment - friendly and cost effective. Several syntheses of BIMs starting from harmful chemicals... summarises the novel catalysts employed,4 while a second review entitled “Synthetic approaches for BIMs” by Kaishap and Dohutia5 highlights the different synthetic approaches towards building the basic skeleton of bis(indolyl) methanes. Unfortunately...

  16. UNIVERSAL JURISDICTION AND THE PRINCIPLE OF NE BIS IN IDEM

    Directory of Open Access Journals (Sweden)

    MIHAELA AGHENITEI

    2011-04-01

    Full Text Available Universal jurisdiction was defined as “the assertion of jurisdiction to prescribe in the absence of any other accepted jurisdictional nexus at the time of the relevant conduct.” Professor Randall, in his seminal work on universal jurisdiction, opined that the theory of universality “provides every state with jurisdiction over a limitedcategory of offenses generally recognized as of universal concern, regardless of the situs of the offence and the nationalities of the offender and the offended. ”Universal jurisdiction is considered a tool for promoting greater justice, but the rights of the accused must be protected. One of the most important guarantees is the principle of ne bis in idem, which protected persons against multiple prosecutions for the same crime. The main legal consequence of the application of ne bis in idem in most systems is the prohibition and inadmissibility of subsequent prosecutions on the same facts blocking effect.The national ne bis in idem principle is established asan individual right in international human rights legal instruments, such as the International Covenant on Civil and Political Rights of 19 December 1966, in Article 14(7. At the regional level, Article 8(4 of the American Convention of Human Rights (1969 and Article 4 (I of the Seventh Protocol of the European Convention of Human Rights merit mention. In Europe, the ne bis in idem principle is enshrined in Article 54 of the Convention implementing the Schengen Agreement of 14 June 1985, which prohibits the initiation of a second trial for the same offence when final judgment has been imposed upon a person by a court of a contracting party.

  17. Bridging function mediated intermetallic coupling in diruthenium-bis ...

    Indian Academy of Sciences (India)

    The interactions of potentially dinucleating bridging functionalities (I-VI) with the ruthenium-bis(bypyridine) precursor [RuII(bpy)2(EtOH)2]2+ have been explored. The bridging functions I, II and VI directly result in the expected dinuclear complexes of the type [(bpy)2RuII{L}RuII(bpy)2]+ (1, 2, 7 and 8) ( = 0, = 4 and  ...

  18. and 1,4-Bis(N'-Substituted Thioureido)

    African Journals Online (AJOL)

    NICO

    cInstitut für Anorganische Chemie, J.W.-Goethe-Universität, Max-von-Laue-Str. 7, D-60438 Frankfurt/Main, Germany. Received 31 December 2012, revised 20 May 2013, accepted 19 August 2013. ABSTRACT. Synthesis of two series of 1,2- and 1,4-bis(thioureido)benzene derivatives was accomplished by the treatment of ...

  19. Calix[4]-bis-crowns and calix[4]-bis-aza-oxa-crowns: from receptors design to molecular machines

    Energy Technology Data Exchange (ETDEWEB)

    Asfari, Z.; Nierlich, M.; Thuery, P.; Lamare, V.; Dozol, J.F.; Leroy, M.; Vicens, J. [CEA, Cadarache, Saint Paul-lez-Durance, (France)

    1996-11-01

    This review article mainly collects our results on the complexation properties of a series of 1,3-calix[4]-bis-crowns in the 1,3-alternate conformation. Due to their high symmetry, these receptors were shown to form mono-and bi-nuclear complexes with alkali metal cations as evidenced by X-ray crystallography and NMR investigations. Among the family those receptors containing 6 oxygen atoms in the poly glycolic chains were proved to be highly selective towards cesium cation. The observed Na+/Cs+ selectivity was exploited in separation process using them as carriers in transport through supported liquid membranes (SLMs). The selectivity was also rationalized through the determination of thermodynamical parameters of the complexation. X-ray structures and molecular modelling showed that the ligands are preorganised to complex cesium cations and were accounted for explaining the high selectivity observed during the transport experiments. ``1 H- and ``133Cs-NMR grave a schematic representation of the formation of binuclear species and of tunneling of the metal through the calixarene unit. Calix[4]-bis-aza-oxa-crowns and related hybrid receptors combining poly oxa aza-and poly oxa crown ether elements which have been synthesized are good candidates for acting as hard-soft receptors. Due to the globular shapes of calix[4]-bis-crowns, molecular world globes as new molecular machines have been prepared. (Author)29 refs.

  20. 40 CFR 721.3340 - Ethanol, 2,2′-(hexylamino)bis-.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Ethanol, 2,2â²-(hexylamino)bis-. 721... Substances § 721.3340 Ethanol, 2,2′-(hexylamino)bis-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as ethanol, 2,2′-(hexylamino)bis- (PMN P-91-1346...

  1. Synthesis and characterization of bis-thiourea having amino acid derivatives

    Science.gov (United States)

    Fakhar, Imran; Yamin, Bohari M.; Hasbullah, Siti Aishah

    2016-11-01

    In this article four new symmetric bis-thiourea derivatives having amino acid linkers were reported with good yield. Isophthaloyl dichloride was used as spacer and L-alanine, L-aspartic acid, L-phenylalanine and L-glutamic acid were used as linkers. Bis-thiourea derivatives were prepared from relatively stable isophthaloyl isothiocyanate intermediate. Newly synthesized bis-thiourea derivatives were characterized by FTIR, H-NMR, 13C-NMR and CHNS-O elemental analysis techniques. Characterization data was in good agreement with the expected derivatives, hence confirmed the synthesis of four new derivatives of bis-thiourea having amino acids.

  2. [μ-1,2-Bis(diphenylphosphinoethane-κ2P:P′]bis{[1,2-bis(diphenylphosphinoethane-κ2P,P′]cyanidocopper(I} methanol disolvate

    Directory of Open Access Journals (Sweden)

    Rong Wang

    2010-08-01

    Full Text Available The title centrosymmetric complex, [Cu2(CN2(C26H24P23]·2CH3OH, consists of two five-membered [Cu(dppeCN] rings [dppe is 1,2-bis(diphenylphosphinoethane] bridged by one μ2-dppe ligand, and two methanol solvent molecules. The angles around the central metal atom indicate that each CuI atom is located in the center of a distorted tetrahedron. The coordination sphere of each CuI atom is formed by three P atoms from two dppe ligands, and one C atom from the cyanide ligand. The crystal structure is stabilized by O—H...N hydrogen bonds, which are formed by the O—H donor group from methanol and the N-atom acceptor from a cyanide ligand.

  3. Teratogenic effects of bis-diamine on early embryonic rat heart: an in vitro study.

    Science.gov (United States)

    Nishijima, S; Nakagawa, M; Fujino, H; Hanato, T; Okamoto, N; Shimada, M

    2000-08-01

    Bis-diamine induces cardiac defects, including conotruncal anomalies in rat embryos when the agent is administered to the mother. To evaluate the teratogenic effects and mechanism of bis-diamine, we performed morphological and immunohistochemical analyses of early rat embryos cultured in medium containing bis-diamine. The embryos were removed from mother rats on gestational day 10.5 and cultured in medium containing 1 mg of bis-diamine for 6 hr. The embryos were then cultured in medium only for another 6, 12, 18, and 42 hr, corresponding to embryonic day (ED) 11.0, 11.25, 11.5, and 12.5, respectively. Some embryos from the same mothers were used as controls and were cultured in medium only for the corresponding periods to the embryos exposed to bis-diamine. Some mother rats were given a single oral dose of 200 mg of bis-diamine on gestational day 10.5. Embryos from these pregnant rats were removed 6 hr after the oral administration of bis-diamine, and were also cultured in medium only for 6, 12, 18, and 42 hr. No cardiac abnormalities were detected in the controls at any stage of development. Thirty-three of 51 (65%) embryos exposed to bis-diamine and 15 of 20 (75%) embryos removed from bis-diamine-administered mothers showed abnormal cardiac development, including dilated ventricle, elongation of outflow tract, and pericardial defect on ED 11.5. Four of six (67%) embryos exposed to bis-diamine, and five of seven (71%) removed from bis-diamine-administered mothers also presented almost the same cardiac abnormalities on ED 12.5. No cardiac abnormalities were detected in bis-diamine-treated embryos before ED 11.5. In addition, the expression of neural cell adhesion molecule (N-CAM) was examined using immunohistochemical methods. Fewer N-CAM immunoreactive cells were detected in the third and fourth aortic arches in the bis-diamine-treated embryos than in controls on ED 11.5. However, more N-CAM immunoreactive cells were detected in the bis-diamine-treated embryos

  4. Crystal structure of dimethylformamidium bis(trifluoromethanesulfonylamide: an ionic liquid

    Directory of Open Access Journals (Sweden)

    Allan Jay P. Cardenas

    2016-09-01

    Full Text Available At 100 K, the title molecular salt, C3H8NO+·C2F6NO4S2−, has orthorhombic (P212121 symmetry; the amino H atom of bis(trifluoromethanesulfonylamine (HNTf2 was transferred to the basic O atom of dimethylformamide (DMF when the ionic liquid components were mixed. The structure displays an O—H...N hydrogen bond, which links the cation to the anion, which is reinforced by a non-conventional C—H...O interaction, generating an R22(7 loop. A further very weak C—H...O interaction generates an [001] chain.

  5. Acoplamiento molecular y actividad antibacteriana de las tioureas (R,R)-N,N´-bis(1-ciclohexiletil)tiourea y (R,R)-N,N´-bis(1-feniletil)tiourea

    National Research Council Canada - National Science Library

    Fabían Martínez Flores; José Jaime Vázquez Bravo; Juan Saulo González González; Julio Hernández Rosas; Veronica Castro Bear; Oscar Zuñiga Lemus

    2013-01-01

    ... la actividad antibacteriana mediante acoplamiento molecular entre la enzima DNA girasa (receptor) y las tioureas (R, R)-N,N´-bis(1 ciclohexiletil)tiourea (CYTU1) y (R,R)-N,N´-bis(1-feniletil)tiourea (CYTU2...

  6. Unconventional Superconductivity in the BiS_{2}-Based Layered Superconductor NdO_{0.71}F_{0.29}BiS_{2}.

    Science.gov (United States)

    Ota, Yuichi; Okazaki, Kozo; Yamamoto, Haruyoshi Q; Yamamoto, Takashi; Watanabe, Shuntaro; Chen, Chuangtian; Nagao, Masanori; Watauchi, Satoshi; Tanaka, Isao; Takano, Yoshihiko; Shin, Shik

    2017-04-21

    We investigate the superconducting-gap anisotropy in one of the recently discovered BiS_{2}-based superconductors, NdO_{0.71}F_{0.29}BiS_{2} (T_{c}∼5  K), using laser-based angle-resolved photoemission spectroscopy. Whereas the previously discovered high-T_{c} superconductors such as copper oxides and iron-based superconductors, which are believed to have unconventional superconducting mechanisms, have 3d electrons in their conduction bands, the conduction band of BiS_{2}-based superconductors mainly consists of Bi 6p electrons, and, hence, the conventional superconducting mechanism might be expected. Contrary to this expectation, we observe a strongly anisotropic superconducting gap. This result strongly suggests that the pairing mechanism for NdO_{0.71}F_{0.29}BiS_{2} is an unconventional one and we attribute the observed anisotropy to competitive or cooperative multiple paring interactions.

  7. Facile Synthesis of 1,6-Bis(2-furyl-2,5-bis(2-hydroxy-3-formyl-5-methylbenzyl-2,5-diazahexane: a New Dinucleating Ligand

    Directory of Open Access Journals (Sweden)

    Chang-Rang Liu

    2001-11-01

    Full Text Available A convenient three-step preparation of the dinucleating ligand, 1,6-bis(2-furyl-2,5-bis(2-hydroxy-3-formyl-5-methylbenzyl-2,5-diazahexane (3 starting from 2,6-bis(hydroxymethyl-4-methylphenol (4 is reported. Compound 4 was partially oxidized with preactivated manganese dioxide to form compound 5, which was converted to 2-hydroxy-3-chloromethyl-5-ethylbenzaldehyde (6 with conc.HCl/EtOH. Compound 6 in turn reacted with N,N’-bis (2-furyl-1,2-diaminoethane (7 in the presence of K2CO3 in ethanol to give the title compound 3. No protecting groups were required in the whole process and the conditions were mild.

  8. A bis-boronic acid modified electrode for the sensitive and selective determination of glucose concentrations.

    Science.gov (United States)

    Wang, Hui-Chen; Zhou, Hao; Chen, Baoqin; Mendes, Paula M; Fossey, John S; James, Tony D; Long, Yi-Tao

    2013-12-07

    A bis-boronic acid modified electrode for the sensitive and selective determination of glucose concentrations has been developed. The electrochemical characteristics of the sensor with added saccharides were investigated using cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS). The bis-boronic acid modified electrode was both sensitive and selective for glucose.

  9. Synthesis and structure of bis(β-dibenzoyl methanato -O,O') (aquo-O ...

    Indian Academy of Sciences (India)

    Synthesis and structure of bis(β-dibenzoyl methanato -O,O') (aquo-O) dioxouranium (VI) compound. S KANNANa,∗ and ... to make the complex more soluble.1,2 A large number of uranyl bis(β-diketonates)-neutral ligand ... spectrum of the complex shows a broad peak at 3300 cm. −1. , indicating the presence of water ...

  10. Asymmetric ligand-exchange reaction of biphenol derivatives and chiral bis(oxazolinyl)phenyl-rhodium complex.

    Science.gov (United States)

    Inoue, Hiroko; Ito, Jun-ichi; Kikuchi, Makoto; Nishiyama, Hisao

    2008-09-01

    Chiral bis(oxazolinyl)phenyl-rhodium acetate complex can enantioselectively capture 1,1'-binaphthol derivatives by ligand-exchange reaction. The structure of the bis(oxazolinyl)phenyl-rhodium biphenol and binaphthol complexes were confirmed by X-ray analysis.

  11. A Suzuki Coupling Based Route to 2,2'-Bis(2-indenyl)biphenyl Derivatives

    NARCIS (Netherlands)

    IJpeij, Edwin G.; Beijer, Felix H.; Arts, Henricus J.; Newton, Claire; Vries, Johannes G. de; Gruter, Gert-Jan M.

    2002-01-01

    Because of the promising performance in olefin polymerization of 2,2'-bis(2-indenyldiyl)biphenyl zirconium dichloride, we developed a new and broadly applicable route to 2,2'-bis(2-indenyl)biphenyl derivatives. Reaction of the known 2,2'-diiodobiphenyl with the new 2-indenyl boronic acid did not

  12. Palladium-Catalyzed Polyfluorophenylation of Porphyrins with Bis(polyfluorophenylzinc Reagents

    Directory of Open Access Journals (Sweden)

    Toshikatsu Takanami

    2013-10-01

    Full Text Available A facile and efficient method for the synthesis of pentafluorophenyl- and related polyfluorophenyl-substituted porphyrins has been achieved via palladium-catalyzed cross-coupling reactions of brominated porphyrins with bis(polyfluorophenylzinc reagents. The reaction is applicable to a variety of free-base bromoporphyrins, their metal complexes, and a number of bis(polyfluorophenylzinc reagents.

  13. 40 CFR 721.1850 - Toluene sulfonamide bis-phe-nol A epoxy adduct.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Toluene sulfonamide bis-phe-nol A... Specific Chemical Substances § 721.1850 Toluene sulfonamide bis-phe-nol A epoxy adduct. (a) Chemical... as toluene sulfonamide bisphenol A epoxy adduct (PMN P-90-113) is subject to reporting under this...

  14. C60 pyrrolidine bis-carboxylic acid derivative as a versatile precursor for biocompatible fullerenes.

    Science.gov (United States)

    Aroua, Safwan; Schweizer, W Bernd; Yamakoshi, Yoko

    2014-03-21

    A C60 Prato derivative with bis-(t)Bu ester was prepared as a stable and convenient scaffold for the development of fullerene derivatives such as water-soluble C60-PEG conjugates, fulleropeptides via solid phase synthesis, and bis-functionalized C60.

  15. BiS: the formation and development of a left-wing library society in ...

    African Journals Online (AJOL)

    The history of BiS in Sweden is traced from its formation in 1969 to the present with an emphasis upon the early years. The catalyst was a perceived lack of freedom of expression which impinged upon libraries with regard, for example, to selection policies. BiS reflected the generation gap of the 1970s and the relationship ...

  16. 40 CFR 721.4520 - Isopropylidene, bis(1,1-dimethylpropyl) derivative.

    Science.gov (United States)

    2010-07-01

    ...) derivative. 721.4520 Section 721.4520 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED... Specific Chemical Substances § 721.4520 Isopropylidene, bis(1,1-dimethylpropyl) derivative. (a) Chemical... isopropylidene, bis(1,1-dimethylpropyl) derivative (PMN P-85-648) is subject to reporting under this section for...

  17. In Vitro and In Vivo Behaviour of I111n Complexes of TTHA, TTHA-Bis(Butylamide) and TTHA-Bis(Glucamide) : Stability, Biodistribution and Excretion Studied by Gamma Imaging

    NARCIS (Netherlands)

    Prata, M.I.M.; Ribeiro, M.J.; Santos, A.C.; Peters, J.A.; Nepveu, F.; Geraldes, C.F.G.C.; De Lima, J.J.P.

    1998-01-01

    Aiming at radiopharmaceutical application, I111n3+ complexes of the polyaminocarboxylates TTHA, TTHA-bis(butylamide) and TTHA-bis(glucamide) were investigated. The in vitro stability of I111n(TTHA)3- and I111n(TTHA-bis(butylamide)- was evaluated by measuring the exchange of I111n3+ from the

  18. ‘Transnationalising’ Ne Bis In Idem: How the Rule of Ne Bis In Idem Reveals the Principle of Personal Legal Certainty

    Directory of Open Access Journals (Sweden)

    Juliette Lelieur

    2013-09-01

    Full Text Available Since Article 54 of the Convention implementing the Schengen Agreement gave the rule of ne bis in idem a transnational dimension, talk of the ‘transnational ne bis in idem principle’ has been commonplace. Thus, when looking for general principles of transnational criminal law, scholars refer to the principle of ‘transnational ne bis in idem’. It is doubtful, however, that ne bis in idem qualifies as a principle of law. It should be regarded, rather, as a rule of criminal procedure, traditionally based on the principle of res judicata. Giving the rule of ne bis in idem a transnational dimension therefore requires either transnationalising the principle of res judicata, or giving the rule of ne bis in idem a new foundation.The principle of res judicata principally serves the credibility of the justice system in a given jurisdiction by prohibiting several tribunals, all acting within the parameters of their jurisdiction, from contradicting each other’s interpretation of the same facts. For this reason, the principle of res judicata does not provide an adequate basis for a transnationalised rule of ne bis in idem.From a human rights perspective, multiple prosecutions against the same person for the same facts collides with protecting individuals against arbitrary judicial treatment. This is true whether the multiple prosecutions all take place in one country or in several different countries. The rule of ne bis in idem could therefore be regarded as a manifestation of the (new ‘principle of personal legal certainty’.

  19. Controlling Mechanical Properties of Bis-leucine Oxalyl Amide Gels

    Science.gov (United States)

    Chang, William; Carvajal, Daniel; Shull, Kenneth

    2011-03-01

    is-leucine oxalyl amide is a low molecular weight gelator capable of gelling polar and organic solvents. A fundamental understanding of self-assembled systems can lead to new methods in drug delivery and the design of new soft material systems. An important feature of self-assembled systems are the intermolecular forces between solvent and gelator molecule; by changing the environment the gel is in, the mechanical properties also change. In this project two variables were considered: the degree of neutralization present for the gelator molecule from neutral to completely ionized, and the concentration of the gelator molecule, from 1 weight percent to 8 weight percent in 1-butanol. Mechanical properties were studied using displacement controlled indentation techniques and temperature sweep rheometry. It has been found that properties such as the storage modulus, gelation temperature and maximum stress allowed increase with bis-leucine oxalyl amide concentration. The results from this study establish a 3-d contour map between the gelator concentration, the gelator degree of ionization and mechanical properties such as storage modulus and maximum stress allowed. The intermolecular forces between the bis-leucine low molecular weight gelator and 1-butanol govern the mechanical properties of the gel system, and understanding these interactions will be key to rationally designed self-assembled systems.

  20. Revised Reinforcement Sensitivity Theory and Laboratory Assessment of BIS and BAS in Children.

    Science.gov (United States)

    Colder, Craig R; Trucco, Elisa M; Lopez, Hector I; Hawk, Larry W; Read, Jennifer P; Lengua, Liliana J; Weiczorek, William F; Eiden, Rina D

    2011-04-01

    There is considerable interest in Gray's reinforcement sensitivity theory. However, few measures of the behavioral approach (BAS) and inhibition systems (BIS) exist for children. Moreover, the theory was substantially revised a decade ago and measurement instruments are still largely based on the old theory. Our aim was to revise questionnaire and laboratory assessments of BIS and BAS for children. Performance on the Point Scoring Reaction Time Task for Children Revised (PSRTT-CR) conformed to theoretical expectations. Caregiver reports of BIS and BAS were associated with corresponding PSRTT-CR indices, suggesting cross-method convergent and discriminant validity. There was convergence with physiological correlates of BAS, but not physiological correlates of BIS. Overall, our revised measures represent promising instruments of children's BIS and BAS.

  1. Laser-induced forward transfer of a bis-pyrene compound for OTFTs

    Energy Technology Data Exchange (ETDEWEB)

    Constantinescu, Catalin, E-mail: constantinescu@lp3.univ-mrs.fr [Aix-Marseille Université, CNRS, LP3 (UMR 7341), 13288 Marseille Cedex 9 (France); Diallo, Abdou Karim; D’Aleo, Anthony; Fages, Frédéric [Aix-Marseille Université, CNRS, CINaM (UMR 7325), 13288 Marseille Cedex 9 (France); Videlot-Ackermann, Christine, E-mail: videlot@cinam.univ-mrs.fr [Aix-Marseille Université, CNRS, CINaM (UMR 7325), 13288 Marseille Cedex 9 (France); Delaporte, Philippe [Aix-Marseille Université, CNRS, LP3 (UMR 7341), 13288 Marseille Cedex 9 (France); Alloncle, Anne-Patricia, E-mail: alloncle@lp3.univ-mrs.fr [Aix-Marseille Université, CNRS, LP3 (UMR 7341), 13288 Marseille Cedex 9 (France)

    2015-05-01

    Graphical abstract: - Highlights: • 1,4-Bis(octyloxy)-2,5-bis(ethynylpyrene)benzene (“bis-pyrene”) films are synthesized. • Laser-based technology is used to print bis-pyrene pixels for OTFT devices. • The structure and electrical properties of the transistors are discussed. - Abstract: We present results on a newly synthesized bis-pyrene compound that, besides the typical fluorescence, also exhibits semiconducting properties. Thin films have been grown by vacuum thermal evaporation on oxidized silicon and on transparent quartz substrates. Micrometric-sized pixels have subsequently been printed by laser-induced forward transfer (LIFT), in air and at low pressure (90 mbar), by using a Nd:YAG laser source (355 nm, 50 ps pulse duration) to produce functional organic thin film transistors (o-TFTs). Top-contact (TC) configurations are emphasized, and the influence of the pressure and laser fluence during the LIFT procedure is discussed.

  2. Interrogating alkyl and arylalkylpolyamino (bis)urea and (bis)thiourea isosteres as potent antimalarial chemotypes against multiple lifecycle forms of Plasmodium falciparum parasites

    Science.gov (United States)

    Verlinden, Bianca K.; de Beer, Marna; Pachaiyappan, Boobalan; Besaans, Ethan; Andayi, Warren A.; Reader, Janette; Niemand, Jandeli; van Biljon, Riette; Guy, Kiplin; Egan, Timothy; Woster, Patrick M.; Birkholtz, Lyn-Marie

    2015-01-01

    A new series of potent potent aryl/alkylated (bis)urea- and (bis)thiourea polyamine analogues were synthesized and evaluated in vitro for their antiplasmodial activity. Altering the carbon backbone and terminal substituents increased the potency of analogues in the compound library 3-fold, with the most active compounds, 15 and 16, showing half-maximal inhibitory concentrations (IC50 values) of 28 and 30 nM, respectively, against various Plasmodium falciparum parasite strains without any cross-resistance. In vitro evaluation of the cytotoxicity of these analogues revealed marked selectivity towards targeting malaria parasites compared to mammalian HepG2 cells (>5000-fold lower IC50 against the parasite). Preliminary biological evaluation of the polyamine analogue antiplasmodial phenotype revealed that (bis)urea compounds target parasite asexual proliferation, whereas (bis)thiourea compounds of the same series have the unique ability to block transmissible gametocyte forms of the parasite, indicating pluripharmacology against proliferative and non-proliferative forms of the parasite. In this manuscript, we describe these results and postulate a refined structure-activity relationship (SAR) model for antiplasmodial polyamine analogues. The terminally aryl/alkylated (bis)urea- and (bis)thiourea-polyamine analogues featuring a 3-5-3 or 3-6-3 carbon backbone represent a structurally novel and distinct class of potential antiplasmodials with activities in the low nanomolar range, and high selectivity against various lifecycle forms of P. falciparum parasites. PMID:25684422

  3. Analysis of RFQ vacuum system for HINS tests at MDB

    Energy Technology Data Exchange (ETDEWEB)

    Piekarz, Henryk; /Fermilab

    2009-07-01

    The arrangement of RFQ vacuum system is briefly described. The projections of the vacuum level using standard out-gassing rates for the RFQ major components are compared with measurements. The permeation of water through the Viton O-rings of the LCW manifold inside the RFQ vacuum vessel is analyzed and compared with RGA data. A model where the out-gassing water from the vanes inner surfaces affects seriously RFQ operation is devised and compared with RFQ performance. The rate of a hydrogen gas spill from the LEBT into the RFQ vacuum space is also projected. Suggestions to correct and improve RFQ operation are presented.

  4. Heteroleptic copper(I) complexes prepared from phenanthroline and bis-phosphine ligands.

    Science.gov (United States)

    Kaeser, Adrien; Mohankumar, Meera; Mohanraj, John; Monti, Filippo; Holler, Michel; Cid, Juan-José; Moudam, Omar; Nierengarten, Iwona; Karmazin-Brelot, Lydia; Duhayon, Carine; Delavaux-Nicot, Béatrice; Armaroli, Nicola; Nierengarten, Jean-François

    2013-10-21

    Preparation of [Cu(NN)(PP)](+) derivatives has been systematically investigated starting from two libraries of phenanthroline (NN) derivatives and bis-phosphine (PP) ligands, namely, (A) 1,10-phenanthroline (phen), neocuproine (2,9-dimethyl-1,10-phenanthroline, dmp), bathophenanthroline (4,7-diphenyl-1,10-phenanthroline, Bphen), 2,9-diphenethyl-1,10-phenanthroline (dpep), and 2,9-diphenyl-1,10-phenanthroline (dpp); (B) bis(diphenylphosphino)methane (dppm), 1,2-bis(diphenylphosphino)ethane (dppe), 1,3-bis(diphenylphosphino)propane (dppp), 1,2-bis(diphenylphosphino)benzene (dppb), 1,1'-bis(diphenylphosphino)ferrocene (dppFc), and bis[(2-diphenylphosphino)phenyl] ether (POP). Whatever the bis-phosphine ligand, stable heteroleptic [Cu(NN)(PP)](+) complexes are obtained from the 2,9-unsubstituted-1,10-phenanthroline ligands (phen and Bphen). By contrast, heteroleptic complexes obtained from dmp and dpep are stable in the solid state, but a dynamic ligand exchange reaction is systematically observed in solution, and the homoleptic/heteroleptic ratio is highly dependent on the bis-phosphine ligand. Detailed analysis revealed that the dynamic equilibrium resulting from ligand exchange reactions is mainly influenced by the relative thermodynamic stability of the different possible complexes. Finally, in the case of dpp, only homoleptic complexes were obtained whatever the bis-phosphine ligand. Obviously, steric effects resulting from the presence of the bulky phenyl rings on the dpp ligand destabilize the heteroleptic [Cu(NN)(PP)](+) complexes. In addition to the remarkable thermodynamic stability of [Cu(dpp)2]BF4, this negative steric effect drives the dynamic complexation scenario toward almost exclusive formation of homoleptic [Cu(NN)2](+) and [Cu(PP)2](+) complexes. This work provides the definitive rationalization of the stability of [Cu(NN)(PP)](+) complexes, marking the way for future developments in this field.

  5. Identification of a bis-molybdopterin intermediate in molybdenum cofactor biosynthesis in Escherichia coli.

    Science.gov (United States)

    Reschke, Stefan; Sigfridsson, Kajsa G V; Kaufmann, Paul; Leidel, Nils; Horn, Sebastian; Gast, Klaus; Schulzke, Carola; Haumann, Michael; Leimkühler, Silke

    2013-10-11

    The molybdenum cofactor is an important cofactor, and its biosynthesis is essential for many organisms, including humans. Its basic form comprises a single molybdopterin (MPT) unit, which binds a molybdenum ion bearing three oxygen ligands via a dithiolene function, thus forming Mo-MPT. In bacteria, this form is modified to form the bis-MPT guanine dinucleotide cofactor with two MPT units coordinated at one molybdenum atom, which additionally contains GMPs bound to the terminal phosphate group of the MPTs (bis-MGD). The MobA protein catalyzes the nucleotide addition to MPT, but the mechanism of the biosynthesis of the bis-MGD cofactor has remained enigmatic. We have established an in vitro system for studying bis-MGD assembly using purified compounds. Quantification of the MPT/molybdenum and molybdenum/phosphorus ratios, time-dependent assays for MPT and MGD detection, and determination of the numbers and lengths of Mo-S and Mo-O bonds by X-ray absorption spectroscopy enabled identification of a novel bis-Mo-MPT intermediate on MobA prior to nucleotide attachment. The addition of Mg-GTP to MobA loaded with bis-Mo-MPT resulted in formation and release of the final bis-MGD product. This cofactor was fully functional and reconstituted the catalytic activity of apo-TMAO reductase (TorA). We propose a reaction sequence for bis-MGD formation, which involves 1) the formation of bis-Mo-MPT, 2) the addition of two GMP units to form bis-MGD on MobA, and 3) the release and transfer of the mature cofactor to the target protein TorA, in a reaction that is supported by the specific chaperone TorD, resulting in an active molybdoenzyme.

  6. Impact of age on both BIS values and EEG bispectrum during anaesthesia with sevoflurane in children.

    Science.gov (United States)

    Wodey, E; Tirel, O; Bansard, J Y; Terrier, A; Chanavaz, C; Harris, R; Ecoffey, C; Senhadji, L

    2005-06-01

    The aim of this study was to evaluate the potential relationship between age, BIS (Aspect), and the EEG bispectrum during anaesthesia with sevoflurane. BIS and raw EEG were recorded at a steady state of 1 MAC in 100 children, and during a decrease from 2 to 0.5 MAC in a sub-group of 29 children. The bispectrum of the EEG was estimated using MATLAB software. For analysis, the bispectrum was divided into 36 frequencies of coupling (P(i))--the MatBis. A multiple correspondence analysis (MCA) was used to establish an underlying structure of the pattern of each individual's MatBis at 1 MAC. Clustering of children into homogeneous groups was conducted by a hierarchical ascending classification (HAC). The level of statistical significance was set at 0.05. At 1 MAC, the BIS values for all children ranged from 20 to 74 (median 40). Projection of both age and BIS value recorded at 1 MAC onto the structured model of the MCA showed them to be distributed along the same axis, demonstrating that the different values of BIS obtained in younger or older children are mainly dependent on their MatBis. At 1 MAC, six homogeneous groups of children were obtained through the HAC. Groups 5 (30 months; range 23-49) and 6 (18 months; range 6-180) were the younger children and Group 1 (97 months; range 46-162) the older. Groups 5 and 6 had the highest median values of BIS (54; range 50-59) (55; range 26-74) and Group 1 the lowest values (29; range 22-37). The EEG bispectrum, as well as the BIS appeared to be strongly related to the age of children at 1 MAC sevoflurane.

  7. Identification of a Bis-molybdopterin Intermediate in Molybdenum Cofactor Biosynthesis in Escherichia coli*

    Science.gov (United States)

    Reschke, Stefan; Sigfridsson, Kajsa G. V.; Kaufmann, Paul; Leidel, Nils; Horn, Sebastian; Gast, Klaus; Schulzke, Carola; Haumann, Michael; Leimkühler, Silke

    2013-01-01

    The molybdenum cofactor is an important cofactor, and its biosynthesis is essential for many organisms, including humans. Its basic form comprises a single molybdopterin (MPT) unit, which binds a molybdenum ion bearing three oxygen ligands via a dithiolene function, thus forming Mo-MPT. In bacteria, this form is modified to form the bis-MPT guanine dinucleotide cofactor with two MPT units coordinated at one molybdenum atom, which additionally contains GMPs bound to the terminal phosphate group of the MPTs (bis-MGD). The MobA protein catalyzes the nucleotide addition to MPT, but the mechanism of the biosynthesis of the bis-MGD cofactor has remained enigmatic. We have established an in vitro system for studying bis-MGD assembly using purified compounds. Quantification of the MPT/molybdenum and molybdenum/phosphorus ratios, time-dependent assays for MPT and MGD detection, and determination of the numbers and lengths of Mo–S and Mo–O bonds by X-ray absorption spectroscopy enabled identification of a novel bis-Mo-MPT intermediate on MobA prior to nucleotide attachment. The addition of Mg-GTP to MobA loaded with bis-Mo-MPT resulted in formation and release of the final bis-MGD product. This cofactor was fully functional and reconstituted the catalytic activity of apo-TMAO reductase (TorA). We propose a reaction sequence for bis-MGD formation, which involves 1) the formation of bis-Mo-MPT, 2) the addition of two GMP units to form bis-MGD on MobA, and 3) the release and transfer of the mature cofactor to the target protein TorA, in a reaction that is supported by the specific chaperone TorD, resulting in an active molybdoenzyme. PMID:24003231

  8. Analogues of platelet activating factor. 7. Bis-aryl amide and bis-aryl urea receptor antagonists of PAF.

    Science.gov (United States)

    Wissner, A; Carroll, M L; Johnson, B D; Kerwar, S S; Pickett, W C; Schaub, R E; Torley, L W; Trova, M P; Kohler, C A

    1992-12-25

    A series of bis-aryl amide (13-57 and 66-81) and bis-aryl urea (58 and 85) antagonists of platelet-activating factor (PAF) was prepared that contain, separating the two aromatic rings, linear amide linkages of the form -(CH2)nCONH- (n = 0-2), -OCH2CONH-, and -(CH2)nNHCO- (n = 0-1), branched amide linkages of the form -(CH2)nN(COR)- (n = 1-3, R = CH3 or n-C3H7), and -N(COCH3)CH2-, and urea linkages of the form -NHCONH- and -CH2N(CONHCH3)-. These compounds were examined for their ability to inhibit PAF-induced platelet aggregation of rabbit platelets. These in vitro data were compared to similar data obtained for a number of known PAF antagonists. The compounds were evaluated in vivo, in the mouse, for their ability to prevent death induced by a lethal challenge of PAF. The relationships between the biological activity and the nature, lipophilicity, and position of substituents of the aromatic rings were studied. Best activity was observed for compounds having linkages of the type -CH2CONH-, -CH2N(COR)-, and -CH2NHCO-. Many of these compounds inhibit PAF-induced platelet aggregation with IC50's under 1 microM.

  9. EPR study on the ligand-exchange reaction between bis(diethyldiselenocarbamato)copper(II) and bis(octyldithiocarbonato)copper(II)

    Science.gov (United States)

    Yordanov, Nicola D.; Dimitrova, Anna

    2006-03-01

    EPR study on the ligand-exchange reaction between bis(diethyldiselenocarbamato)copper(II), Cu(Et 2dsc) 2, and bis(octyldithiocarbonato)copper(II), Cu(octxant) 2, in CH 2Cl 2, CHCl 3, CCl 4, C 6H 6 and C 6H 5·CH 3 is reported for the first time. Mixing of equimolar amounts of the parents (chromophores CuSe 4 and CuS 4, respectively) in C 6H 6, C 6H 5·CH 3 and CH 2Cl 2 makes EPR signals of both parents superimposed by the spectrum of a mixed-chelate Cu(xant)(dsc) complex (chromophore CuS 2Se 2). A new additional EPR spectrum appears in CHCl 3 or CCl 4 due to a five-coordinate mixed-ligand complex with the chromophore Cu(S 3Se)S as follows by comparing the g-values of parents and mixed-ligand complexes. The appearance of this complex could be explained having in mind donor-acceptor properties of complexes, solvents and the resultant reaction of Cu(octxant) 2 with the ester of diselenocarbamic acid yielded in Cu(Et 2dsc) 2 destruction by CCl 4 or CHCl 3.

  10. Stabilization of N,N′-bis(3-methylphenyl)-N,N′-bis(phenyl)benzidine thin film morphology with UV light

    Energy Technology Data Exchange (ETDEWEB)

    Tomović, A.Ž.; Markešević, N. [Institute of Physics, University of Belgrade, Pregrevica 118, 11000 Belgrade (Serbia); Scarpellini, M.; Bovio, S. [Interdisciplinary Centre for Nanostructured Materials and Interfaces (CIMAINA), Università di Milano, Via Celoria 16, 20133 Milan (Italy); Lucenti, E. [Interdisciplinary Centre for Nanostructured Materials and Interfaces (CIMAINA), Università di Milano, Via Celoria 16, 20133 Milan (Italy); Institute of Molecular Science and Technology of CNR, via Golgi 19, 20133 Milan (Italy); Milani, P. [Interdisciplinary Centre for Nanostructured Materials and Interfaces (CIMAINA), Università di Milano, Via Celoria 16, 20133 Milan (Italy); Zikic, R. [Institute of Physics, University of Belgrade, Pregrevica 118, 11000 Belgrade (Serbia); Jovanović, V.P., E-mail: vladimir.jovanovic@ipb.ac.rs [Institute of Physics, University of Belgrade, Pregrevica 118, 11000 Belgrade (Serbia); Srdanov, V.I. [Interdisciplinary Centre for Nanostructured Materials and Interfaces (CIMAINA), Università di Milano, Via Celoria 16, 20133 Milan (Italy)

    2014-07-01

    Owing to their low glass transition temperature, T{sub g}, amorphous thin films of N,N′-bis(3-methylphenyl)-N,N′-bis(phenyl)benzidine (TPD) undergo morphological changes even at room temperature. It has been noticed previously that exposure to UV light can increase apparent T{sub g} of TPD films and thus stabilize their morphology. However, the reason behind increase in structural stability was not examined at the time. Here we present evidence that TPD molecules undergo photo-oxidation in air when exposed to λ ≈ 350 nm radiation and that less than 5% of the photo-oxidized species are needed to prevent dewetting of thin TPD films. We propose that photo-oxidized TPD species bind strongly to both ordinary TPD molecules and to terminal hydroxyl groups at the substrate surface, which decreases mobility of TPD molecules and makes thin TPD film less prone to morphology changes. - Highlights: • We made variable thickness TPD films and exposed them to UV light under ambient conditions. • Mass spectroscopy and proton NMR measurements of irradiated and pristine TPD films • TPD molecules undergo oxidation process under UV light irradiation. • Dipole–dipole interactions may be responsible for stabilization of morphological changes.

  11. Relation between constructs of BisBas questionnaire and some personality constructs

    Directory of Open Access Journals (Sweden)

    Nataša Sedlar

    2008-04-01

    Full Text Available The goal of this study was to examine relation between constructs relevant for Gray's neuropsychological model of motivation. According to Gray's theory, two general motivational systems underlie behavior and affect: a behavioral inhibition system (BIS and a behavioral activation system (BAS. BIS is sensitive to aversive stimuli, causes avoidance behaviors and is responsible for individual differences in anxiety. BAS is responsive to appetitive stimuli, triggers approach behavior and has been associated with individual differences in impulsivness. BIS activity has been related to the experience of negative emotions, whereas BAS activity has been associated with the experience of positive emotions. A total of 122 Slovenian students, aged 17–19 years, completed the BIS/BAS scale, the Impulsiveness-Venturesome-Empathy Scale IVE, State Trait Anxiety Inventory STAI-X2, The Positive and Negative Affect Schedule PANAS, and The Big Five Questionairre BFQ. Our results are consistent with those from recent empirical studies and provide support for Gray's theory. Measures of BIS were found to be positively related to trait anxiety and neuroticism, whereas measures of BAS were found to be positively related to impulsiveness and extraversion. Emotional component measured with PANAS did not distinguish BIS from BAS constructs. Both were found to be related to negative affect. With respect to construct validity these findings suggest that BIS/BAS scale is reasonably effective.

  12. Validity and Reliability of the Abbreviated Barratt Impulsiveness Scale in Spanish (BIS-15S)*

    Science.gov (United States)

    Orozco-Cabal, Luis; Rodríguez, Maritza; Herin, David V.; Gempeler, Juanita; Uribe, Miguel

    2010-01-01

    Objective This study determined the validity and reliability of a new, abbreviated version of the Spanish Barratt Impulsiveness Scale (BIS-15S) in Colombian subjects. Method The BIS-15S was tested in non-clinical (n=283) and clinical (n=164) native Spanish-speakers. Intra-scale reliability was calculated using Cronbach’s α, and test-retest reliability was measured with Pearson correlations. Psychometric properties were determined using standard statistics. A factor analysis was performed to determine BIS-15S factor structure. Results 447 subjects participated in the study. Clinical subjects were older and more educated compared to non-clinical subjects. Impulsivity scores were normally distributed in each group. BIS-15S total, motor, non-planning and attention scores were significantly lower in non-clinical vs. clinical subjects. Subjects with substance-related disorders had the highest BIS-15S total scores, followed by subjects with bipolar disorders and bulimia nervosa/binge eating. Internal consistency was 0.793 and test-retest reliability was 0.80. Factor analysis confirmed a three-factor structure (attention, motor, non-planning) accounting for 47.87% of the total variance in BIS-15S total scores. Conclusions The BIS-15S is a valid and reliable self-report measure of impulsivity in this population. Further research is needed to determine additional components of impulsivity not investigated by this measure. PMID:21152412

  13. SYNTHESIS, CHARACTERIZATION AND CRYSTAL STRUCTURE OF BIS-(2-HYDROXYBENZALDEHYDEDIAMINOGUANIZONE

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    Diana Dragancea, Vladimir B. Arion, Sergiu Shova

    2008-12-01

    Full Text Available The new ligand, bis(2-hydroxybenzaldehydediaminoguanizone (1 has been synthesized and characterized by elemental analysis, IR and 1H NMR spectroscopies. The crystal structure of the compound was determined by X-ray diffraction. The ligand C15H15N5O2·C2H5OH crystallizes in the monoclinic space group P21/c with unit cell parameters a = 8.9102(3, b = 10.0357(3, c = 19.7618(6 Å, β = 98.385(2°, Z = 4, V = 1748.21(9 Å3, R1 = 0.040. The amino form of the ligand adopts a planar conformation stabilized by two intramolecular hydrogen bonds of the type O–H···N, in which the H atoms of the central amino group are directed to the lone-pair regions of the azomethine nitrogen atoms.

  14. Conductivity of oriented bis-azo polymer films

    DEFF Research Database (Denmark)

    Apitz, D.; Bertram, R.P.; Benter, N.

    2006-01-01

    The conductivity properties of electro-optic photoaddressable, dense bis-ozo chromophore polymer films are investigated by using samples corona poled at various temperatures. A dielectric spectrometer is applied to measure the frequency dependence of the conductivity at different temperatures...... before and after heating the material to above the glass transition temperature. The results show that the orientation of the chromophores changes the charge-carrier mobility. Ionic conductivity dominates in a more disordered configuration of the material, while the competing process of hole hopping...... takes over as a transition to a liquid-crystalline phase occurs when the material is heated to much higher than the gloss transition temperature. Such micro-crystallization strongly enhances the conductivity....

  15. Synthesis of Bis(hydroxylmethylfurfuryl)amine Monomers from 5-Hydroxymethylfurfural.

    Science.gov (United States)

    Xu, Zhanwei; Yan, Peifang; Liu, Kairui; Wan, Lu; Xu, Wenjuan; Li, Huixiang; Liu, Xiumei; Zhang, Z Conrad

    2016-06-08

    We report the synthesis of bis(hydroxylmethylfurfuryl)amine (BHMFA) from 5-hydroxymethylfurfural (5-HMF) by reacting 5-HMF with primary amines in the presence of homogeneous Ru(II) catalysts having sterically strained ligands. BHMFA is a group of furan-based monomers that offer great potential to form functional biopolymers with tunable properties. A range of primary amines, such as aliphatic and benzyl amines, are readily converted with 5-HMF to form the corresponding BHMFA in good yields. The reaction proceeds through reductive amination of 5-HMF with primary amine to form secondary amine, followed by reductive amination of 5-HMF with in situ generated secondary amine to produce BHMFA. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Neuroprotective copper bis(thiosemicarbazonato complexes promote neurite elongation.

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    Laura Bica

    Full Text Available Abnormal biometal homeostasis is a central feature of many neurodegenerative disorders including Alzheimer's disease (AD, Parkinson's disease (PD, and motor neuron disease. Recent studies have shown that metal complexing compounds behaving as ionophores such as clioquinol and PBT2 have robust therapeutic activity in animal models of neurodegenerative disease; however, the mechanism of neuroprotective action remains unclear. These neuroprotective or neurogenerative processes may be related to the delivery or redistribution of biometals, such as copper and zinc, by metal ionophores. To investigate this further, we examined the effect of the bis(thiosemicarbazonato-copper complex, Cu(II(gtsm on neuritogenesis and neurite elongation (neurogenerative outcomes in PC12 neuronal-related cultures. We found that Cu(II(gtsm induced robust neurite elongation in PC12 cells when delivered at concentrations of 25 or 50 nM overnight. Analogous effects were observed with an alternative copper bis(thiosemicarbazonato complex, Cu(II(atsm, but at a higher concentration. Induction of neurite elongation by Cu(II(gtsm was restricted to neurites within the length range of 75-99 µm with a 2.3-fold increase in numbers of neurites in this length range with 50 nM Cu(II(gtsm treatment. The mechanism of neurogenerative action was investigated and revealed that Cu(II(gtsm inhibited cellular phosphatase activity. Treatment of cultures with 5 nM FK506 (calcineurin phosphatase inhibitor resulted in analogous elongation of neurites compared to 50 nM Cu(II(gtsm, suggesting a potential link between Cu(II(gtsm-mediated phosphatase inhibition and neurogenerative outcomes.

  17. μ3-Oxido-tris{dichlorido[1,3-bis(1,3,5-trimethylphenylimidazol-2-ylidene]gold(III} bis(trifluoromethanesulfonylimide–[bis(trifluoromethanesulfonylimide]silver(I (1/2

    Directory of Open Access Journals (Sweden)

    Marek Pažický

    2010-07-01

    Full Text Available The unusual trinuclear AuIII oxide title complex, [Au3Cl6O(C21H24N23](C2F6NO4S2·2[Ag(C2F6NO4S2], is the side product of the reaction of [1,3-bis(1,3,5-trimethylphenylimidazol-2-ylidene]dichloridophenylgold(III with silver bis(trifluoromethanesulfonylimide in the presence of traces of water. In contrast to corresponding AuI complexes, the core structure of the title compound is planar. Two silver(I bis(trifluoromethanesulfonylimide units are loosely bound to the complex cation. Here the silver atoms, disordered over two positions in a 0.870 (2:0.130 (2 ratio, interact either with the lone pairs of three chlorine ligands or two chlorine ligands and one edge of the mesityl π-system. The crystal under investigation was a partial racemic twin.

  18. Bis-pyrene-modified unlocked nucleic acids: synthesis, hybridization studies, and fluorescent properties

    DEFF Research Database (Denmark)

    Perlíková, Pavla; Ejlersen, Maria; Langkjaer, Niels

    2014-01-01

    Efficient synthesis of a building block for the incorporation of a bis-pyrene-modified unlocked nucleic acid (UNA) into oligonucleotides (DNA*) was developed. The presence of bis-pyrene-modified UNA within a duplex leads to duplex destabilization that is more profound in DNA*/RNA and less distinc......)uracil:pyrene exciplex emission in the single-stranded form. Such fluorescent properties enable the application of bis-pyrene-modified UNA in the development of fluorescence probes for DNA/RNA detection and for detection of deletions at specific positions....

  19. Effect of three bis-pyridyl-bis-amide ligands with various spacers on the structural diversity of new multifunctional cobalt(II) coordination polymers

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Hong-Yan [Department of Chemistry, Bohai University, Jinzhou 121000 (China); Lu, Huizhe [Department of Applied Chemistry, China Agricultural University, Beijing, 100193 (China); Le, Mao; Luan, Jian [Department of Chemistry, Bohai University, Jinzhou 121000 (China); Wang, Xiu-Li, E-mail: wangxiuli@bhu.edu.cn [Department of Chemistry, Bohai University, Jinzhou 121000 (China); Liu, Guocheng; Zhang, Juwen [Department of Chemistry, Bohai University, Jinzhou 121000 (China)

    2015-03-15

    Three new cobalt(II) coordination polymers [Co{sub 2}(1,4-NDC){sub 2}(3-bpye)(H{sub 2}O)] (1), [Co(1,4-NDC)(3-bpfp)(H{sub 2}O)] (2) and [Co(1,4-NDC)(3-bpcb)] (3) [3-bpye=N,N′-bis(3-pyridinecarboxamide)-1,2-ethane, 3-bpfp=bis(3-pyridylformyl)piperazine, 3-bpcb=N,N′-bis(3-pyridinecarboxamide)-1,4-benzene, and 1,4-H{sub 2}NDC=1,4-naphthalenedicarboxylic acid] have been hydrothermally synthesized. The structures of complexes 1–3 have been determined by X-ray single crystal diffraction analyses and further characterized by infrared spectroscopy (IR), powder X-ray diffraction (PXRD) and thermogravimetric analyses (TGA). Complex 1 is a 3D coordination structure with 8-connected (4{sup 20}.6{sup 8}) topology constructed from 3D [Co{sub 2}(1,4-NDC){sub 2}(H{sub 2}O)]{sub n} framework and bidentate 3-bpye ligands. Complex 2 shows 1D “cage+cage”-like chain formed by 1D [Co{sub 2}(1,4-NDC){sub 2}]{sub n} ribbon chains and [Co{sub 2}(3-bpfp){sub 2}] loops, which are further linked by hydrogen bonding interactions to form a 3D supramolecular network. Complex 3 displays a 3D coordination network with a 6-connected (4{sup 12}.6{sup 3}) topology based on 2D [Co{sub 2}(1,4-NDC){sub 2}]{sub n} layers and bidentate 3-bpcb bridging ligands. The influences of different bis-pyridyl-bis-amide ligands with various spacers on the structures of title complexes are studied. Moreover, the fluorescent properties, electrochemical behaviors and magnetic properties of complexes 1–3 have been investigated. - Graphical abstract: Three multifunctional cobalt(II) complexes constructed from three bis-pyridyl-bis-amide and 1,4-naphthalenedicarboxylic acid have been hydrothermally synthesized and characterized. The fluorescent, electrochemical and magnetic properties of 1–3 have been investigated. - Highlights: • Three multifunctional cobalt(II) complexes based on various bis-pyridyl-bis-amide ligands. • Complex 1 is a 3D coordination structure with 8-connected (4{sup 20}.6{sup 8

  20. Synthesis, characterization and structure effects on extractability and selectivity of N,N'-bis(salicylaldehydene)-1,4-bis-(m-aminophenoxy)butane towards some divalent cations.

    Science.gov (United States)

    Ziyadanoğullari, Berrin; Ceviziçi, Deniz; Temel, Hamdi; Guzel, Remziye

    2007-01-01

    The extraction of copper(II), nickel(II) and cobalt(II) from the aqueous phase with N,N'-bis(salicylaldehydene)-1,4-bis-(m-aminophenoxy)butane (MAS), which was synthesized from 1,4-bis(m-aminophenoxy)butane and salicylaldehyde, was studied. Microanalytical data, elemental analysis, UV-visible 1H and 13C n.m.r. spectra and IR-spectra were used to confirm the structures. The extractability and selectivity of divalent cations were evaluated as a function of relationship between distribution ratio of the metal and pH or ligand concentration. Cu+2 showed the highest extractability and selectivity at pH 6.0, whereas Ni+2 and Co+2 showed at pH 9.2. The stoichiometries of the compounds formed were estimated to be CuL, CoL, NiL, where L is N,N'-bis(salicylaldehydene)-1,4-bis-(m-aminophenoxy)butane. It was concluded that MAS can effectively be used in solvent extraction of copper(II), nickel(II) and cobalt(II) from the aqeous phase to the organic phase.

  1. catena-Poly[[[diaquacopper(II]-bis[μ2-1,3-bis(1,2,4-triazol-1-ylpropane

    Directory of Open Access Journals (Sweden)

    Wen Feng

    2009-10-01

    Full Text Available The title CuII coordination polymer, {[Cu(C7H10N62(H2O2](NO32·H2O}n, was obtained by the reaction of equimolar Cu(NO32·4H2O and 1,3-bis(1,2,4-triazol-1-ylpropane (btp in a water–methanol solvent. The CuII atom is located on a centre of inversion and has an elongated octahedral coordination geometry formed by four N atoms from four symmetry-related btp ligands and two coordinated water molecules. Adjacent CuII atoms are connected by btp ligands, generating a double-stranded chain. The nitrate anion is disordered over two positions in a 0.828 (7:0.172 (2 ratio.

  2. Partitioning of Minor Actinides from High Active Raffinates using Bis-Diglycol-amides (BisDGA) as new efficient Extractants

    Energy Technology Data Exchange (ETDEWEB)

    Modolo, G.; Vijgen, H. [Forschungszentrum Juelich GmbH, Institute for Energy Research, Safety Research and Reactor Technology, 52425 Juelich (Germany); Espartero, A.G. [Centro de Investigaciones Energeticas, Medioambientales y Tecnologicas (CIEMAT), Avda. Complutense 22, 28040-Madrid (Spain); Prados, P. [Departamento de Quimica Organica, Facultad de Ciencias, Universidad Autonoma de Madrid - UAM, carretera de Colmenar Viejo km 15.3, 28049-Madrid (Spain); Mendoza, J. de [Departamento de Quimica Organica, Facultad de Ciencias, Universidad Autonoma de Madrid - UAM, carretera de Colmenar Viejo km 15.3, 28049-Madrid (Spain); Institut Catala d' Investigacio Quimica (ICIQ) Av. Paisos Catalans 16, 43007-Tarragona (Spain)

    2008-07-01

    Two new polyamide extractants has been selected, namely UAM-069 and UAM-081, both synthesized at the University of Madrid (UAM), to develop a new separation process. These two ligands are bis-diglycol-amides, consisting of two diglycol-amides moieties grafted on an aromatic platform (UAM-069) or on an aliphatic linker (UAM-081), respectively. The extraction of actinides and fission products was studied from synthetic PUREX raffinate. Actinides(III) and lanthanides(III) are highly extracted from acidities > 1 mol/L HNO{sub 3}. The extraction of Zr, Mo and Pd could be suppressed with complexing agents such as oxalic acid and HEDTA. In the present paper the results of the batch extraction results are presented which serve for the development of a new continuous counter current process to be tested in centrifugal contactors. (authors)

  3. Crystal structure of 1,4-bis(3-ammoniopropylpiperazine-1,4-diium bis[dichromate(VI

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    S. Vetrivel

    2016-05-01

    Full Text Available The asymmetric unit of the organic–inorganic title salt, (C10H28N4[Cr2O7]2, comprises one half of an 1,4-bis(3-ammoniopropylpiperazinediium cation (the other half being generated by the application of inversion symmetry and a dichromate anion. The piperazine ring of the cation adopts a chair conformation, and the two CrO4 tetrahedra of the anion are in an almost eclipsed conformation. In the crystal, the cations and anions form a layered arrangement parallel to (001. N—H...O hydrogen bonds between the cations and anions and additional C—H...O interactions lead to the formation of a three-dimensional network structure.

  4. Crystal structures of μ-oxalato-bis[azido(histaminecopper(II] and μ-oxalato-bis[(dicyanamido(histaminecopper(II

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    Chen Liu

    2015-11-01

    Full Text Available The title compounds, μ-oxalato-κ4O1,O2:O1′,O2′-bis[[4-(2-aminoethyl-1H-imidazole-κ2N3,N4](azido-κN1copper(II], [Cu2(C2O4(N32(C5H9N32], (I, and μ-oxalato-κ4O1,O2:O1′,O2′-bis[[4-(2-aminoethyl-1H-imidazole-κ2N3,N4](dicyanamido-κN1copper(II], [Cu2(C2O4(C2N32(C5H9N32], (II, are two oxalate-bridged dinuclear copper complexes. Each CuII ion adopts a five-coordinate square-pyramidal coordination sphere where the basal N2O2 plane is formed by two O atoms of the oxalate ligand and two N atoms of a bidentate chelating histamine molecule. The apical coordination site in compound (I is occupied by a monodentate azide anion through one of its terminal N atoms. The apical coordination site in compound (II is occupied by a monodentate dicyanamide anion through one of its terminal N atoms. The molecules in both structures are centrosymmetric. In the crystals of compounds (I and (II, the dinuclear complexes are linked through N—H...X and C—H...X (X = N, O hydrogen bonds where the donors are provided by the histamine ligand and the acceptor atoms are provided by the azide, dicyanamide, and oxalate ligands. In compound (I, the coordinatively unsaturated copper ions interact with the histamine ligand via a C—H...Cu interaction. The coordinatively unsaturated copper ions in compound (II interact via a weak N...Cu interaction with the dicyanamide ligand of a neighboring molecule. The side chain of the histamine ligand is disordered over three sets of sites in (II.

  5. Coordination chemistry of 1,4-bis[bis(2-pyridylmethyl)aminomethyl]benzene with copper(II)

    Science.gov (United States)

    Louka, Febee R.; Spell, Mark L.; Grebowicz, Janusz; Albering, Jörg H.; Mautner, Franz A.; Massoud, Salah S.

    2011-05-01

    The interaction of 1,4-bis[bis(2-pyridylmethyl)aminomethyl]benzene ( p-Xy DPA) with CuCl 2·2H 2O has resulted in the isolation of the dinuclear compound [Cu 2( p-Xy DPA)Cl 4]·H 2O ( 1). When the reaction was performed in presence of sodium perchlorate, sodium azide, sodium dicyanamide (Nadca) and disodium squarate (Na 2C 4O 4) the compounds [Cu 2( p-Xy DPA)(ClO 4) 2Cl 2] ( 2), [Cu 2( p-Xy DPA)(N 3) 4]·2H 2O ( 3), [Cu 2( p-Xy DPA)(dca) 4]·4H 2O ( 4), and [Cu 2( p-Xy DPA)Cl 2(H 2O) 2](C 4O 4)·5.4H 2O ( 5) were obtained, respectively. The complexes were characterized by IR and UV-vis. spectroscopy. The visible spectra of the complexes revealed the square pyramidal geometry around the central Cu 2+ ions. The molecular structures of the complexes 2, 3, 4 and 5 were determined by single crystal X-ray crystallography. This study revealed the dinuclear nature of the complexes and showed that the Cu(II) centers have distorted five-coordinate square pyramidal geometry with N 3-donor atoms of the dipicolyl amine arms and the remaining coordination positions are occupied by the chloro and perchlorato ligands in 2, the monodentate azido ligands in 3 or the monodentate terminal nitrile dca in 4 and by the chloro and aqua ligands in 5 with the squarate dianion as counter ion.

  6. Iodide Selective Electrodes Based on Bis(2-mercaptobenzothiazolato Mercury(II and Bis(4-chlorothiophenolato Mercury(II Carriers

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    Morteza M. Zohory

    2003-12-01

    Full Text Available New iodide-selective electrodes based on bis(2-mercaptobenzothiazolato mercury(II [Hg(MBT2] and bis(4-chlorothiophenolato mercury(II [Hg(CTP2] carriers are described. The electrodes were prepared by incorporating the ionophores into plasticized PVC membranes, which were directly coated on the surface of graphite disk electrodes. The electrodes displayed high selectivity for iodide with respect to a number of inorganic and organic anions. The influence of the membrane composition and pH, and the effect of lipophilic cationic and anionic additives on the response properties of the electrodes were investigated. The electrodes exhibited near-Nernstian slopes of -57.6 ± 0.8 and -58.4 ± 1.4 mV/decade of iodide concentration over the range 1 × 10-6 – 1 × 10-1 M, with detection limits of ~4 × 10-7 and 6 × 10-7 M for the electrodes based on [Hg(MBT2] and [Hg(CTP2], respectively. They have relatively fast response times (≤ 10 s, satisfactory reproducibility, and life times of at least two months. The potentiometric responses of the electrodes are independent of pH of the test solution over the range 3.5 – 11.5.

  7. Quando o índice bispectral (BIS pode fornecer valores espúrios Cuando el índice bispectral (BIS puede suministrar valores falsos When the bispectral index (Bis can give false results

    Directory of Open Access Journals (Sweden)

    Leonardo Teixeira Domingues Duarte

    2009-02-01

    Full Text Available JUSTIFICATIVA E OBJETIVOS: O índice bispectral (BIS é um parâmetro multifatorial derivado do eletroencefalograma (EEG que permite a monitorização do componente hipnótico da anestesia. Foi obtido a partir de algoritmo derivado da análise de grande número de EEGs de voluntários e pacientes submetidos a sedações e anestesia geral com diferentes agentes anestésicos. Além de outros benefícios, o uso do BIS para monitorização da profundidade da anestesia reduz a ocorrência de despertar e memória intra-operatória. Esta revisão teve o objetivo de apresentar situações clínicas em que o BIS aponta valores espúrios, falsamente elevados ou reduzidos, em decorrência de condições do paciente ou ações de anestésicos não-previstos quando da elaboração do seu algoritmo. CONTEÚDO: Os valores do BIS podem sofrer alteração e influência em variadas situações clínicas em que há padrões anormais do EEG; efeito de diferentes anestésicos e outros fármacos não-incluídos na elaboração de seu algoritmo; interferência de equipamentos elétricos; bem como decorrentes de peculiaridades do monitor. CONCLUSÃO: Apesar de o algoritmo do BIS ter sofrido diversas alterações desde a sua primeira versão, essas situações que determinam variações espúrias dos valores do BIS devem ser reconhecidas pelo anestesiologista a fim de evitar complicações, sejam conseqüentes à sobredose anestésica, sejam por subdoses que poderão causar despertar e memória intra-operatória.JUSTIFICATIVA Y OBJETIVOS: El índice bispectral (BIS es un parámetro multifactorial derivado del electroencefalograma (EEG, que permite la monitorización del componente hipnótico de la anestesia. Fue obtenido a partir de algoritmo derivado del análisis de un gran número de EEG de voluntarios y pacientes sometidos a sedaciones y anestesia general con diferentes agentes anestésicos. Además de otros beneficios, el uso del BIS para la monitorización de la

  8. Structural Studies of 2,6-Diacetyl- and 2,6-Diformylpyridine Bis(thiosemicarbazones

    Directory of Open Access Journals (Sweden)

    Brown Christine A.

    2002-01-01

    Full Text Available Although a large number of crystal structures of heterocyclic thiosemicarbazones have recently appeared in the literature, few structures of heterocyclic bis(thiosemicarbazones or their metal complexes have been reported. Complexes of iron(II, indium(III, tin(IV, bismuth(III involve bis(thiosemicarbazones coordinating as N3S2 pentadentate ligands, often resulting in 7-coordinate complexes. In contrast, complexes with zinc(II are often binuclear with thiosemicarbazone moieties of a bis(thiosemicarbazone coordinating to two different zinc centers. Also included in this study is the structure of the first complex with a 2,6-diformylpyridine bis(thiosemicarbazone ligand, a 4-coordinate nickel(II complex with unusual coordination.

  9. Bis(sulfonamide) transmembrane carriers allow pH-gated inversion of ion selectivity.

    Science.gov (United States)

    Roy, Arundhati; Biswas, Oindrila; Talukdar, Pinaki

    2017-03-09

    Bis(sulfonamide) based synthetic carriers are reported for inversion of ion selectivity upon deviation of pH within a narrow window. A liposomal membrane potential is also generated when potassium ions are passively transported by these carriers.

  10. [Stefan Hartmann. Revaler Handwerker im Spiegel fer Ratsprotokolle von 1722 bis 1755] / Paul Kaegbein

    Index Scriptorium Estoniae

    Kaegbein, Paul

    2007-01-01

    Arvustus: Stefan Hartmann. Revaler Handwerker im Spiegel fer Ratsprotokolle von 1722 bis 1755. In : Ostseeprovinzen, baltische Staaten und das Nationale. Münster : LIT, 2005. lk. 89-112. Kanuti gildi koondunud ametite organisatsioonist ja struktuurist

  11. [Karin Hallas. Das Tallinner Mietshaus. Vom Historismus bis zum Jugendstil] / Paul Kaegbein

    Index Scriptorium Estoniae

    Kaegbein, Paul

    2006-01-01

    Arvustus: Karin Hallas. Das Tallinner Mietshaus. Vom Historismus bis zum Jugendstil. In: Architektur und bildende Kunst im Baltikum um 1900. Frankfurt am Main, Berlin, Bern, Bruxelles, New York, Wien: Lang 1999. S. 173-192.

  12. Bis-Porphyrin Racks with Space-Separated Co-Planar Porphyrin Rings

    OpenAIRE

    Martin R. Johnston

    2001-01-01

    A porphyrin appended norbornenyl building block 8 has been isolated and coupled, using a 1,3-dipolar ACE reaction, to yield bis-porphyrin compounds in which the porphyrin moietes are angled upward relative to the norbornane backbone.

  13. Synthesis of novel bis-allyloxy and hydroxypropoxy derivatives of 4 ...

    Indian Academy of Sciences (India)

    T SHANMUGANATHAN

    11) and 4,5-bis(4-(3- hydroxypropoxy)phenyl)thiophene-2-carboxylic acid ethyl ester (13) exhibited a slightly moderate antioxidant activity than standard ascorbic acid. Molecular docking analysis was performed for the synthesized compounds.

  14. Direct observation of supported W bis-methylidene from supported W-methyl/methylidyne species

    KAUST Repository

    Callens, Emmanuel

    2014-01-01

    Extensive solid-state NMR analyses unambiguously determine the formation of silica supported W bis-methylidene methyl species by reaction of the corresponding methyl carbyne with trimethylphosphine or a cyclic olefin. © 2014 the Partner Organisations.

  15. Interactive Effects of the BIS and the BAS on Trajectories of Alcohol Misuse after University Graduation

    Directory of Open Access Journals (Sweden)

    Matthew T. Keough

    2015-01-01

    Full Text Available Reinforcement Sensitivity Theory predicts that those with a strong behavioral inhibition system (BIS likely experience considerable anxiety and uncertainty during the transition out of university. Accordingly, they may continue to drink heavily to cope during this time (a period associated with normative reductions in heavy drinking, but only if they also have a strong behavioral approach system (BAS to enhance the anxiolytic effects of drinking. The purpose of this study was to test this hypothesis. Participants completed online measures prior to and at 3-month intervals over the course of the year following graduation. As hypothesized, results showed that an elevated BIS predicted impeded maturing out, but only when the impulsivity facet of BAS was also elevated. In contrast, a strong BIS predicted rapid maturing out if BAS impulsivity was weak. Study findings advance our understanding of BIS-related alcohol misuse trajectories in young adulthood and provide direction for clinical interventions.

  16. Synthesis and applications of novel bis(ammonium) chiral ionic liquids derived from isomannide

    DEFF Research Database (Denmark)

    Kumar, Vineet; Olsen, Carl Erik; Schäffer, Susan J.

    2007-01-01

    Carbohydrate-based novel bis(ammonium) chiral ionic liquids have been synthesized by following a straightforward protocol using isomannide as the substrate. Their applications in chiral discrimination and optical resolution of racemates have been established.......Carbohydrate-based novel bis(ammonium) chiral ionic liquids have been synthesized by following a straightforward protocol using isomannide as the substrate. Their applications in chiral discrimination and optical resolution of racemates have been established....

  17. Synthesis of bis-quinoxaline derivatives using Tonsil clay as a catalyst

    African Journals Online (AJOL)

    ... 9-ethyl-3,6-di(1,2-dioxoethyl)carbazole in the presence of Tonsil clay, a readily available and inexpensive catalyst. The structures of all new products were identified by 1H-NMR, 13C-NMR and FT-IR spectral data and microanalysis. KEY WORDS: bis-Quinoxaline, bis-Glyoxal, Green chemistry, 1,2-Diamine, Tonsil clay.

  18. A cytotoxic study of eugenol and its ortho dimer (bis-eugenol)

    Energy Technology Data Exchange (ETDEWEB)

    Kashiwagi, Yasushi [Meikai Univ., Sakado, Saitama (Japan). School of Dentistry

    2000-07-01

    Eugenol is widely used not only as a dental material such as pulp capping material, provisional cement, root canal sealer, and impression paste, but also as a perfume ingredients. Eugenol has antioxidant, bactericidal, and sedative activities, inhibits and non-enzymatic peroxidation. It was previously reported that eugenol exhibited the cytotoxic activity toward pulp cells and gingial fibroblasts and also that the cytotoxic activity was predominantly performed by radicals derived from the oxidation of eugenol. This study was based on the hypothesis that the toxicity of eugenol may be greately reduced if the radicalization of eugenol was diminished by the dimerization of eugenol. Thus, bis-eugenol, the dimer of eugenol, was synthesized to characterize the effect of this eugenol-related compound. The cytotoxic activity of bis-eugenol against human gingival fibroblasts (HGF cell) or human submandibular gland cancer cells (HSG cell) was studied in the presence or absence of light irradiation (visible or ultraviolet light), and compared with that of eugenol. The cytotoxic activity of eugenol was significantly greater than that of bis-eugenol. The cytotoxic activity of irradiated eugenol, but not that of irradiated bis-eugenol, was significantly higher than that of the non-irradiated counterpart. Bis-eugenol at a relatively low concentration declined the phototoxic activity of irradiation on living cells. Also, the generation of reactive oxygen in HSG cells in the ab-sence or the presence of irradiated bis-eugenol or eugenol was evaluated by an ACAS laser cytometry, and the results indicated that eugenol, but not bis-eugenol, generated reactive oxygen in the cells. The DPPH-radical scavenging activity of bis-eugenol was larger than that of eugenol. Furthermore, eugenol had a positive apoptosis-inducing effect on HSG cells. The structure-activity relationships of eugenol-related compounds showed that the nature of the substituent at the ortho or para-position of eugenol

  19. Normative data of the Barratt Impulsiveness Scale 11 (BIS-11 for Brazilian adults

    Directory of Open Access Journals (Sweden)

    Leandro F. Malloy-Diniz

    2015-09-01

    Full Text Available Objective:The Barratt Impulsiveness Scale (BIS-11 is a valid and reliable instrument, and one of the most often used tools to assess impulsivity. This study assesses the performance of a large sample of adults by using a version of BIS-11 adapted to Brazilian Portuguese.Methods:We assessed 3,053 adults from eight Brazilian states. Internal consistencies and performance data were presented for two correction criteria of BIS-11: original and the two-factor score.Results:The associations between age, sex, region, and education and the BIS-11 scores present very small effect sizes. Therefore, we provided a percentile rank parameter for the different BIS-11 subscores considering the whole sample. Given the internal consistency of the two correction systems, we found that only the two-factor system fulfills the psychometric criteria of Cronbach’s alpha (cutoff value of at least 0.6.Conclusion:Our results support the use of the Brazilian adaptation of BIS-11 in different regions of the country as a measure of impulsivity. Since high impulsiveness is a characteristic of several dysfunctional behaviors, the establishment of normative parameters is of utmost relevance and should be extended to other age ranges and populations in future studies.

  20. A novel metallobridged bis(beta-cyclodextrin)s fluorescent probe for the determination of glutathione.

    Science.gov (United States)

    Tang, Bo; Liu, Fang; Xu, Kehua; Tong, Lili

    2008-04-01

    A novel metallobridged bis(beta-cyclodextrin)s 2 [bis(beta-CD)s 2] was synthesized and characterized by means of (1)H NMR, IR, element analysis and redox iodometric titration. The fluorescence of metallobridged bis(beta-CD)s 2 was weak compared with bis(beta-CD)s 1 because of the paramagnetism of copper (II) ions. Glutathione was able to form complexes with copper (II) derived from the metallobridged bis(beta-CD)s 2. This competitive complexation with copper (II) may lead to a significant fluorescence recovery of the bis(beta-CD)s. Therefore, a rapid and simple spectrofluorimetric method was developed for the determination of glutathione. The analytical application for glutathione was investigated in NaCl/P(i) (pH 6.00) at room temperature. The linear range of the method was 0.30-20.0 micromol.L(-1) with a detection limit of 63.8 nmol.L(-1). There was no interference from the plasma constituents. The proposed method had been successfully used to determine glutathione in human plasma.

  1. Study of the BIS-MDT /ATLAS Chambers with Cosmic Rays

    CERN Document Server

    Tsarouchas, Charilaos; Gazis, Evangelos; Tsipolitis, Georgios

    This thesis is a study of data obtained from cosmic tests of BIS chambers. BIS chambers belong to the muon sub detector of ATLAS experiment at the CERN laboratory in Geneva. Moreover BIS chambers are Greek implemented chambers from a fruitful collaboration of University of Athens (construction of tubes), Na- tional Technical University of Athens (quality assurance and quality Control) and University of Thesaloniki (final assembly). From September of 2000 to the April of 2004 the Greek muon team tried its best to implement the 112 BIS-MDT chambers. The study if this thesis, is a small ring in this chain of completion steps and connects previous work and installation procedures programmed for April of 2006. Briefly, this thesis gives in the first chapter information about the CERN lab- oratory, the ATLAS experiment and the BIS-MDT chambers. In chapter 2, pre- sented some very elementary operation principles of BIS detection unit, the MDT tube. In chapter 3, an extensive study of TDC spectrum is done and in para...

  2. Cytotoxic activity of N, N'-Bis (2-hydroxybenzyl) ethylenediamine derivatives in human cancer cell lines.

    Science.gov (United States)

    Musa, Musiliyu A; Badisa, Veera L D; Latinwo, Lekan M

    2014-04-01

    Compounds containing ethylenediamine (-NCH2CH2N-) moiety are known to exhibit antimicrobial, -fungal, -bacterial, -tuberculosis and -cancer activities. In the present study, we evaluated the in vitro cytotoxic activity of N,N'-bis(2-hydroxybenzyl)- (6), N,N'-bis(5-bromo-2-hydroxybenzyl)- (7) and N,N'-bis(5-chloro-2-hydroxybenzyl) (8)- ethylenediamine dihydrochlorides; and N,N'-bis(2-hydroxybenzyl)- (9), N,N'-bis(5-bromo-2-hydroxybenzyl)- (10) and N,N'-bis(5-chloro-2-hydroxybenzyl) (11)- ethylenediamine toward human lung (A549), breast (MDA-MB-231) and prostate (PC3) cancer cell lines after 24-h treatment using crystal violet dye binding assay. Effects on the cell cycle the using flow cytometry, and mitochondrial membrane potential using rhodamine-123 florescent dye were also evaluated. Compounds 7 and 8 exhibit cytotoxic activity, causing cell arrest at different phases of the cell cycle and loss of mitochondrial membrane potential in the above cancer cell lines. These findings clearly demonstrate, to our knowledge for the first time, that ethylenediamine dihydrochloride salts-compounds 7 and 8-exhibit concentration-dependent cytotoxic activity towards A549, MDA-MB-231 and PC3 cancer cell lines, which may serve as a basis for future work on novel therapeutic agents.

  3. Planning, budgeting and performance management at Swiss hospitals – Are Swiss hospitals at a crossroads – Will these medical specialist organisations in future develop into institutions with a business orientation? [Die Krankenhäuser der Schweiz am Wendepunkt von der medizinischen Expertenorganisation hin zu betriebswirtschaftlich geführten Institutionen? – Untersuchung zu deren Performance-Management-System

    Directory of Open Access Journals (Sweden)

    Walser, Konrad

    2013-11-01

    die Schweizer Krankenhäuser ein kohärentes und langfristig ausgerichtetes Performance Management aufbauen können. Mit der Einführung von Wettbewerbsmechanismen (DRG-System im neuen Krankenversicherungsgesetz wird die betriebswirtschaftliche Ausrichtung der Krankenhausführung zum Schlüsselfaktor für ein Bestehen am Markt. Die Basis der vorliegenden Untersuchung bildet eine schriftliche Befragung aller Deutschschweizer Krankenhäuser. Diese wurden auf der Grundlage eines Reifegrade-Modells zum Ist- sowie dem Soll-Zustand von deren Performance-Management-Systemen befragt. Das Reifegradmodell wurde für Krankenhäuser angepasst.Die deskriptive Auswertung der Daten zeigt, dass die meisten Krankenhäuser auf dem richtigen Weg sind. Planung und Controlling haben mehrheitlich einen hohen Reifegrad, indes wird die strategische Wichtigkeit eines wirksamen Performance Managements (Reporting, IT-Integration vielerorts noch unterschätzt. So verfügen die meisten Krankenhäuser bereits heute über ausgebaute Planungsmechanismen, beurteilen aber die dazu gehörige Informatikunterstützung als nicht prioritär.Dabei zeigen die bivariaten Auswertungen (Korrelationsmatrizen der Umfrage, dass gerade der IT als Träger oder Plattform des Performance-Managements eine zentrale Rolle zukommt. Gleichzeitig weisen diese weiterführenden Analysen darauf hin, dass die betriebswirtschaftliche Krankenhausplanung der eigentliche Treiber zum Auf- und Ausbau von leistungsfähigen Performance-Management-Systemen ist. Erst eine gut entwickelte und integrierte IT und klare Planwerte, so zeigt sich ausgehend von der Untersuchung, lassen ein umfassendes Performance Management zu.Ein gut funktionierendes Performance Management beinhaltet überdies auch eine organisatorische Komponente. Erst wenn die Aufgaben, Kompetenzen und Verantwortlichkeiten im Hinblick auf die Krankenhaussteuerung bezüglich Betriebswirtschaft, Medizin und Pflege aufeinander abgestimmt sind, können Krankenh

  4. Lead(II) ion selective electrodes with PVC membranes based on two bis-thioureas as ionophores: 1,3-bis(N'-benzoylthioureido)benzene and 1,3-bis(N'-furoylthioureido)benzene.

    Science.gov (United States)

    Wilson, Deivy; Arada, María de los Angeles; Alegret, Salvador; del Valle, Manel

    2010-09-15

    Two PVC membrane ion selective electrodes for Pb(II) ion based on two bis-thioureas: 1,3-bis(N'-benzoylthioureido)benzene and 1,3-bis(N'-furoylthioureido)benzene as ionophores, are reported. A first membrane formulated using 1,3-bis(N'-benzoylthioureido)benzene as carrier exhibited a Nernstian response to Pb(II) over a wide concentration range (4.0x10(-6) to 1.0x10(-2)M) with a slope of 31.5+/-1.6 mV/dec. It showed a fast response time (t(90%)=14 s) and could be used for 10 weeks without any divergence in potentials. The membrane formulated using 1,3-bis(N'-furoylthioureido)benzene as carrier exhibited a Nernstian response in the concentration range (5.0x10(-6) to 1.0x10(-2) M), with a slope of 30.0+/-1.3 mV/dec. Its response time was t(90%)=14 s, and it could be used for 14 weeks without any divergence in potentials. The two proposed potentiometric sensors revealed acceptable selectivities for Pb(II) over a wide variety of other metal ions and could be used in a pH range of 2.2-6.0. Both electrodes were assayed in direct potentiometric determination of lead in soils (10-30 mg/kg range) with very good performance (0.99935 correlation coefficient in the comparison against ICP-MS method). Copyright 2010 Elsevier B.V. All rights reserved.

  5. Bis(cyclopropenium)phosphines: Synthesis, Reactivity, and Applications.

    Science.gov (United States)

    Mehler, Gerlinde; Linowski, Pawel; Carreras, Javier; Zanardi, Alessandro; Dube, Jonathan W; Alcarazo, Manuel

    2016-10-17

    A straightforward route for the preparation of a set of bis(cyclopropenium)-substituted phosphines is reported. Due to their dicationic nature, these ligands depict an excellent π-acceptor character. The effect of the ligand substituent pattern on the catalytic activity of the metal complexes thereof derived is also studied. Whereas sterically demanding biaryl groups directly attached to the phosphorus atom seem to facilitate elementary steps such as the product release from the catalyst, long chain dialkylamino groups on the cyclopropenium units maximize the catalysts solubility and, thus, allow the use of typical apolar solvents such as toluene. Importantly, all new ligands prepared can be easily handled in air. Finally, the impact of the newly prepared dicationic phosphines in hydroarylation reactions is demonstrated. In particular, their use in the synthesis of several naphtho[1,2-b]furanes and naturally occurring naphthalene derivatives such as Calanquinone C is reported. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Spectral Properties of a bis-Azospiropyran Complexed with Europium

    Science.gov (United States)

    Nourmohammadian, F.; Ghahari, M.; Gholami, M. Davoudzadeh

    2015-09-01

    The complexation of recently synthesized symmetrical bifunctional bis-azospiropyran photochromic dye with europium nitrate and its effect on UV-vis absorption and fluorescent emission was studied. Upon addition of Eu 3+ to colorless spiropyran, a yellow merocyanine europium complex was obtained with an absorption band at 410 nm. Negatively charged phenolic oxygenin zwitterionic ring-open form provides an effective metal binding site for Eu 3+ . Meanwhile, the inherent fluorescence emission of the photochromic dye at 380 nm is switched off due to the Eu 3+ - induced drive of spiro-mero equilibrium to form mero form. The stoichiometry of dye-europium complexation was evaluated by fluorescence emission and UV-vis absorption spectroscopy and a 8:1 ratio was obtained in both cases. The binding constant (K) value of the dye-europium complex was 3 × 106 M -1 . In conclusion, the current molecular switch is a useful sensitive dual measuring tool for solutions containing europium or europium-like elements by evaluation of visible absorption or fluorescent emission spectroscopy.

  7. Contemporary carbon content of bis (2-ethylhexyl) phthalate in butter.

    Science.gov (United States)

    Tong, T; Ondov, J M; Buchholz, B A; VanDerveer, M C

    2016-01-01

    The fraction of naturally produced bis (2-ethylhexyl) phthalate (DEHP), a ubiquitous plasticizer known to contaminate packaged foods, was determined for each of five 1.10 kg samples of unsalted market butter by accelerator mass spectrometry (AMS). After extraction and concentration enrichment with liquid-liquid extraction, flash column chromatography, and preparative-scale high performance liquid chromatography, each sample provided ≈ 250 μg extracts of DEHP with carbon purity ranging from 92.5 ± 1.2% (n = 3, 1σ) to 97.1 ± 0.8% (n = 3, 1σ) as measured with gas chromatography mass spectrometry (GC-MS). After corrections for method blank DEHP, co-eluting compounds, and unidentified carbon, the mean fraction of naturally produced DEHP in butter was determined to be 0.16 ± 0.12 (n = 5, 1σ). To our knowledge, this is the first report of the contemporary fraction of DEHP isolated from market butter in the U.S. Copyright © 2015 Elsevier Ltd. All rights reserved.

  8. ANTINFLAMMATORY ACTIVITY OF AN N, N'-DISALICYLIDENEMETHYLENDIAMINE-DERIVED SCHIFF BIS BASE AND ITS COPPER(II) COMPLEX.

    Science.gov (United States)

    Tântaru, Gladiola; Nechifor, M; Apostu, M; Vieriu, Mădălina; Panainte, Alina Diana; Bibire, Nela

    2015-01-01

    The cooper(II) complex combination of N, N'-disalicylidenemethylenediamine and the Schiff bis base were investigated for anti-inflammatory activity. In vivo, the anti-inflammatory activity of the metallic complex in comparison with the activity of the Schiff bis base was tested by the method of Winter and co-workers using the Levy technique. Our study on the anti-inflammatory activity of a new Schiff bis base and its complex cooper(II) combination showed that the Schiff bis bases exhibited significant anti-inflammatory action in acute experimental inflammation when compared to the control group. The copper cation from the complex combination enhanced the anti-inflammatory effect of the Schiff bis base, the effect being stronger at doses of 10 mg/kg cooper(II) complex. The Schiff bis base and its cooper(II) complex had an anti-inflammatory effect comparable to that of indomethacin.

  9. A Novel Bis(phosphido)pyridine [PNP] 2− Pincer Ligand and Its Potassium and Bis(dimethylamido)zirconium(IV) Complexes

    KAUST Repository

    Winston, Matthew S.

    2010-12-13

    A novel PNP bis(secondary phosphine)pyridine pincer ligand, 2,6-bis(2-(phenylphosphino)phenyl)pyridine, has been prepared in high yield, and the properties of the doubly deprotonated form as a ligand in K 4(PNP)2(THF)6 and (PNP)Zr(NMe2) 2 have been investigated. The neutral PNP ligand has been isolated as a mixture of noninterconverting diastereomers, due to the presence of two chirogenic phosphorus atoms of the secondary phopshines, but coordination of the dianionic form to potassium and zirconium allows for isolation of a single diastereomer in near-quantitative yield. The structure of a bis(dimethylamido) zirconium(IV) derivative of the bis(phosphido)pyridine ligand and DFT calculations suggest that the phosphides do not π-bond to early transition metals, likely due to geometric strain and possibly orbital size mismatch between phosphorus and zirconium. As a result, the soft phosphides are prone to formation of insoluble oligomers with substantial bridging of the phosphido lone pairs to other zirconium centers. © 2010 American Chemical Society.

  10. Insights into the strong in-vitro anticancer effects for bis(triphenylphosphane)iminium compounds having perchlorate, tetrafluoridoborate and bis(chlorido)argentate anions

    NARCIS (Netherlands)

    Folda, Alessandra; Scalcon, Valeria; Ghazzali, Mohamed; Jaafar, Mohammed H.; Khan, Rais Ahmad; Casini, Angela; Citta, Anna; Bindoli, Alberto; Rigobello, Maria Pia; Al-Farhan, Khalid; Alsalme, Ali; Reedijk, Jan

    2015-01-01

    Three new compounds containing the bis(triphenylphosphane)iminium cation (PPN+) with ClO4-, BF4-and [AgCl2]-as counter anions have been synthesized and structurally characterized. The two derivatives with ClO4-and BF4-were found to be isostructural by single crystal X-ray diffraction. Interestingly,

  11. Allergic contact dermatitis to bisphenol-A-glycidyldimethacrylate (BIS-GMA) dental resin associated with sensitivity to epoxy resin.

    Science.gov (United States)

    Carmichael, A J; Gibson, J J; Walls, A W

    1997-10-25

    A patient presented with recurrent facial dermatitis associated with dental work. Dermatology referral identified the cause as allergic contact dermatitis to the epoxy acrylate BIS-GMA. Occupationally-induced allergic contact dermatitis to epoxy resin was also demonstrated. A structurally distinct aliphatic acrylate was successfully substituted. Contact sensitivity to BIS-GMA is reviewed and the potential for epoxy sensitive patients to cross-react to BIS-GMA is discussed.

  12. Synthesis of novel bis(perfluorophenyl azides) coupling agents: Evaluation of their performance by crosslinking of poly(ethylene oxide)

    KAUST Repository

    Mehenni, Hakim

    2011-11-01

    Novel bis(perfluorophenyl azides) coupling agents, containing spacer arms from ethylene or ethylene glycol subunits, were successfully synthesized. Nitrenes photogenerated from these novel bis(PFPA) coupling agents were applied successfully to the cross-linking of poly(ethylene oxide) (PEO10,000) in either aqueous medium or at the solid state, thus, we demonstrated the potential of these bis(PFPA) molecules as promising coupling agents in surface engineering. © 2011 Elsevier Ltd. All rights reserved.

  13. Acute Effects of Peripheral Injection of Bis-2-Chloro-ethyl sulfide on the Serum Proteins Content in Rat

    OpenAIRE

    DURDI QUJEQ

    1999-01-01

    Bis-2-chloroethyl sulfide or sulfur mustard an alkylating agent after absorption through skin may enter the blood circulation and interacts with different molecules in the body. Pulmonary complication, ocular lesions, enzyme disorders and other toxic effects of sulfur mustard in the body has already been reported. Rats were injected with sub-lethal doses of Bis-2-chloroethyl sulfide intraperitoneally and at different intervals serum was collected. The effect of Bis-2-chloroethyl sulfide on th...

  14. Crystal structure of bis[1,3-bis(2,6-diisopropylphenylimidazol-2-ylidene]silver(I chloride tetrahydrofuran monosolvate

    Directory of Open Access Journals (Sweden)

    Inge Sänger

    2015-05-01

    Full Text Available In the title salt, [Ag(C27H36N22]Cl·C4H8O, the AgI atom is coordinated by two 1,3-bis(2,6-dimethylphenylimidazol-2-ylidene ligands. The imidazole rings are inclined to one another by 46.69 (13° and the benzene rings in each ligand are almost normal to the imdazole ring to which they are attached, with dihedral angles varying from 82.39 (13 to 88.27 (12°. There are C—H...π interactions present in the cation, involving the two ligands, and the solvent molecule is linked to the cation via a C—H...O hydrogen bond. In the crystal, molecules are linked by trifurcated C—H...(Cl,Cl,Cl hydrogen bonds, forming slabs parallel to (101. One isopropyl group is disordered over two sets of sites with an occupancy ratio of 0.447 (17:0.553 (17 and the THF molecule is disordered over two positions with an occupancy ratio of 0.589 (6:0.411 (6.

  15. Solid phase synthesis of a functionalized bis-peptide using "safety catch" methodology.

    Science.gov (United States)

    Pfeiffer, Conrad T; Schafmeister, Christian E

    2012-05-15

    In 1962, R.B. Merrifield published the first procedure using solid-phase peptide synthesis as a novel route to efficiently synthesize peptides. This technique quickly proved advantageous over its solution-phase predecessor in both time and labor. Improvements concerning the nature of solid support, the protecting groups employed and the coupling methods employed over the last five decades have only increased the usefulness of Merrifield's original system. Today, use of a Boc-based protection and base/nucleophile cleavable resin strategy or Fmoc-based protection and acidic cleavable resin strategy, pioneered by R.C. Sheppard, are most commonly used for the synthesis of peptides(1). Inspired by Merrifield's solid supported strategy, we have developed a Boc/tert-butyl solid-phase synthesis strategy for the assembly of functionalized bis-peptides(2), which is described herein. The use of solid-phase synthesis compared to solution-phase methodology is not only advantageous in both time and labor as described by Merrifield(1), but also allows greater ease in the synthesis of bis-peptide libraries. The synthesis that we demonstrate here incorporates a final cleavage stage that uses a two-step "safety catch" mechanism to release the functionalized bis-peptide from the resin by diketopiperazine formation. Bis-peptides are rigid, spiro-ladder oligomers of bis-amino acids that are able to position functionality in a predictable and designable way, controlled by the type and stereochemistry of the monomeric units and the connectivity between each monomer. Each bis-amino acid is a stereochemically pure, cyclic scaffold that contains two amino acids (a carboxylic acid with an α-amine)(3,4). Our laboratory is currently investigating the potential of functional bis-peptides across a wide variety of fields including catalysis, protein-protein interactions and nanomaterials.

  16. New Ir Bis-Carbonyl Precursor for Water Oxidation Catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Daria L. [Department of Chemistry, Yale University, 225; Beltrán-Suito, Rodrigo [Department of Chemistry, Yale University, 225; Thomsen, Julianne M. [Department of Chemistry, Yale University, 225; Hashmi, Sara M. [Department of Chemical and Environmental; Materna, Kelly L. [Department of Chemistry, Yale University, 225; Sheehan, Stafford W. [Catalytic Innovations LLC, 70 Crandall; Mercado, Brandon Q. [Department of Chemistry, Yale University, 225; Brudvig, Gary W. [Department of Chemistry, Yale University, 225; Crabtree, Robert H. [Department of Chemistry, Yale University, 225

    2016-02-05

    This paper introduces IrI(CO)2(pyalc) (pyalc = (2-pyridyl)-2-propanoate) as an atom-efficient precursor for Ir-based homogeneous oxidation catalysis. This compound was chosen to simplify analysis of the water oxidation catalyst species formed by the previously reported Cp*IrIII(pyalc)OH water oxidation precatalyst. Here, we present a comparative study on the chemical and catalytic properties of these two precursors. Previous studies show that oxidative activation of Cp*Ir-based precursors with NaIO4 results in formation of a blue IrIV species. This activation is concomitant with the loss of the placeholder Cp* ligand which oxidatively degrades to form acetic acid, iodate, and other obligatory byproducts. The activation process requires substantial amounts of primary oxidant, and the degradation products complicate analysis of the resulting IrIV species. The species formed from oxidation of the Ir(CO)2(pyalc) precursor, on the other hand, lacks these degradation products (the CO ligands are easily lost upon oxidation) which allows for more detailed examination of the resulting Ir(pyalc) active species both catalytically and spectroscopically, although complete structural analysis is still elusive. Once Ir(CO)2(pyalc) is activated, the system requires acetic acid or acetate to prevent the formation of nanoparticles. Investigation of the activated bis-carbonyl complex also suggests several Ir(pyalc) isomers may exist in solution. By 1H NMR, activated Ir(CO)2(pyalc) has fewer isomers than activated Cp*Ir complexes, allowing for advanced characterization. Future research in this direction is expected to contribute to a better structural understanding of the active species. A diol crystallization agent was needed for the structure determination of 3.

  17. [Bis(diphenylphosphinomethane-κ2P,P′]dichloridopalladium(II

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    Allen D. Hunter

    2009-02-01

    Full Text Available The title complex, [PdCl2(C25H22P2], is a slightly distorted square-planar bis(diphenylphosphinomethane cis-complex of PdCl2. The structure of a polymorph of the title compound has been described earlier, but the arrangement of the molecules observed in the current structure is distinctively different from that previously reported [Steffen & Palenik (1976. Inorg. Chem. 15, 2432–2439]. The earlier report describes a structure with individual well separated molecules crystallizing in space group P21/n. The polymorph described here, which is isostructrural to its Pt analogue [Babai et al. (2006. Z. Anorg. Allg. Chem. 632, 639–644], crystallizes in C2/c with chains of C2-symmetric molecules stretching parallel to the b axis. The Pd atoms and the bisphosphinomethane units are located on two different positions created by a non-crystallographic mirror operation with an occupancy of 0.6677 (11 for the major (PCH2PPd moiety. The positions of the Cl atoms of the minor moiety do coincide perfectly with those of the next molecule along the chain parallel to b, and they are thus not included in the disorder. The phenyl rings also do not take part in the disorder and are common to both the major and minor moieties of the (PCH2PPdCl2 units. Assuming no defects, molecules in each chain will thus have to be oriented the same way and the effect of the disorder of the (PCH2PPd unit is thus a reversal in direction of the chains parallel to b. The presence of light streaks of intensity between actual Bragg peaks indicates that a somehow ordered arrangement not resolved in the Bragg diffraction data may be present (i.e. an incommensurate superstructure rather than a random or domain arrangement of the chains.

  18. Interaction and Binding Modes of bis-Ruthenium(II Complex to Synthetic DNAs

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    Hasi Rani Barai

    2016-06-01

    Full Text Available [μ-(linkerL2(dipyrido[3,2-a:2′,3′-c]phenazine2(phenanthroline2Ru(II2]2+ with linker: 1,3-bis-(4-pyridyl-propane, L: PF6 (bis-Ru-bpp was synthesized and their binding properties to a various polynucleotides were investigated by spectroscopy, including normal absorption, circular dichroism(CD, linear dichroism(LD, and luminescence techniques in this study. On binding to polynucleotides, the bis-Ru-bpp complex with poly[d(A-T2], and poly[d(I-C2] exhibited a negative LDr signal whose intensity was as large as that in the DNA absorption region, followed by a complicated LDr signal in the metal-to-ligand charge transfer region. Also, the emission intensity and equilibrium constant of the bis-Ru-bpp complex with poly[d(A-T2], and poly[d(I-C2] were enhanced. It was reported that both of dppz ligand of the bis-Ru-bpp complex intercalated between DNA base-pairs when bound to native, mixed sequence DNA. Observed spectral properties resemble to those observed for poly[d(A-T2] and poly[d(I-C2], led us to be concluded that both dppz ligands intercalate between alternated AT and IC bases-pairs In contrast when bis-Ru-bpp complex was bound to poly[d(G-C2], the magnitude of the LDr in the dppz absorption region, as well as the emission intensity, was half in comparison to that of bound to poly[d(A-T2], and poly[d(I-C2]. Therefore the spectral properties of the bis-Ru-bpp-poly[d(G-C2] complex suggested deviation from bis-intercalation model in the poly[d(G-C2] case. These results can be explained by a model whereby one of the dppz ligands is intercalated while the other is exposed to solvent or may exist near to phosphate. Also it is indicative that the amine group of guanine in the minor groove provides the steric hindrance for incoming intercalation binder and it also takes an important role in a difference in binding of bis-Ru-bpp bound to poly[d(A-T2] and poly[d(I-C2].

  19. Monitoring sleep depth: analysis of bispectral index (BIS) based on polysomnographic recordings and sleep deprivation.

    Science.gov (United States)

    Giménez, Sandra; Romero, Sergio; Alonso, Joan Francesc; Mañanas, Miguel Ángel; Pujol, Anna; Baxarias, Pilar; Antonijoan, Rosa Maria

    2017-02-01

    The assessment and management of sleep are increasingly recommended in the clinical practice. Polysomnography (PSG) is considered the gold standard test to monitor sleep objectively, but some practical and technical constraints exist due to environmental and patient considerations. Bispectral index (BIS) monitoring is commonly used in clinical practice for guiding anesthetic administration and provides an index based on relationships between EEG components. Due to similarities in EEG synchronization between anesthesia and sleep, several studies have assessed BIS as a sleep monitor with contradictory results. The aim of this study was to evaluate objectively both the feasibility and reliability of BIS for sleep monitoring through a robust methodology, which included full PSG recordings at a baseline situation and after 40 h of sleep deprivation. Results confirmed that the BIS index was highly correlated with the hypnogram (0.89 ± 0.02), showing a progressive decrease as sleep deepened, and an increase during REM sleep (awake: 91.77 ± 8.42; stage N1: 83.95 ± 11.05; stage N2: 71.71 ± 11.99; stage N3: 42.41 ± 9.14; REM: 80.11 ± 8.73). Mean and median BIS values were lower in the post-deprivation night than in the baseline night, showing statistical differences for the slow wave sleep (baseline: 42.41 ± 9.14 vs. post-deprivation: 39.49 ± 10.27; p = 0.02). BIS scores were able to discriminate properly between deep (N3) and light (N1, N2) sleep. BIS values during REM overlapped those of other sleep stages, although EMG activity provided by the BIS monitor could help to identify REM sleep if needed. In conclusion, BIS monitors could provide a useful measure of sleep depth in especially particular situations such as intensive care units, and they could be used as an alternative for sleep monitoring in order to reduce PSG-derived costs and to increase capacity in ambulatory care.

  20. Alexandre Lamfalussy and the origins of the BIS macro-prudential approach to financial stability

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    Ivo Maes

    2010-01-01

    Full Text Available Among the international policy institutions, the Bank for International Settlements (BIS is known for its sensitivity to financial stability issues. Typical for the BIS is a Òmacro-prudentialÓ approach. In this paper, it is argued that Alexandre Lamfalussy, who was at the BIS from 1976 to 1993, played a crucial role in shaping the BIS approach. Typical for Lamfalussy are a broad macroeconomic view and a focus on the systemically important institutions. In LamfalussyÕs view, there is thus very much an overlap between the micro- and macro-prudential dimensions of financial stability. The main reasons for his sensitivity to financial fragility were: a ÒKeynesianÓ Weltanschauung (that a market economy is not sufficiently self-correcting, the emphasis of Dupriez (his teacher on cycles, LamfalussyÕs experience as a commercial banker, BIS involvement in financial stability issues, especially the Latin American debt crisis of 1982-83 and research on financial innovations.

  1. Cytotoxic activities of some mono and bis Mannich bases derived from acetophenone in brine shrimp bioassay.

    Science.gov (United States)

    Gul, Halise Inci; Gul, Mustafa; Hänninen, Osmo

    2002-01-01

    Some mono Mannich bases (1-phenyl-3-amino-1-propanone salts) and bis Mannich bases (1-phenyl-3-amino-2-amino-methyl-1-propanone salts) derived from acetophenone and a few representative quaternary derivatives were synthesised and their cytotoxicity was tested using the brine shrimp bioassay. This assay may serve as an intermediate test before further in vivo animal experiments in large scale, since brine shrimp nauplii as whole organisms were used in this test. Mono Mannich bases were generally more cytotoxic than their corresponding bis Mannich bases. Mannich bases synthesised were cytotoxic in both brine shrimp bioassay in this study and cell culture tests using Jurkat and Renca cells in a previous study. However, the order of the cytotoxic potency of the compounds were reverse, which may result from faster deamination of bis derivatives than optimal level, and different species and test media used in the two test systems. Faster deamination of bis derivatives might have led to elimination of active metabolites before reaching its target. The cytotoxicity of the compounds might have been altered by amino acids and proteins present in cell culture medium but not in sea water used in brine shrimp bioassay affecting their transport through the cell membrane and metabolism in the cell by binding with the compounds. With higher cytotoxic activity compared with 5-fluorouracil (CAS 51-21-8) in brine shrimp bioassay, mono Mannich base 1 and its quaternary derivative 4 and quaternary bis derivative 8 seem to be candidate compounds for further drug design.

  2. Single-molecule kinetics and footprinting of DNA bis-intercalation: the paradigmatic case of Thiocoraline.

    Science.gov (United States)

    Camunas-Soler, Joan; Manosas, Maria; Frutos, Silvia; Tulla-Puche, Judit; Albericio, Fernando; Ritort, Felix

    2015-03-11

    DNA bis-intercalators are widely used in molecular biology with applications ranging from DNA imaging to anticancer pharmacology. Two fundamental aspects of these ligands are the lifetime of the bis-intercalated complexes and their sequence selectivity. Here, we perform single-molecule optical tweezers experiments with the peptide Thiocoraline showing, for the first time, that bis-intercalation is driven by a very slow off-rate that steeply decreases with applied force. This feature reveals the existence of a long-lived (minutes) mono-intercalated intermediate that contributes to the extremely long lifetime of the complex (hours). We further exploit this particularly slow kinetics to determine the thermodynamics of binding and persistence length of bis-intercalated DNA for a given fraction of bound ligand, a measurement inaccessible in previous studies of faster intercalating agents. We also develop a novel single-molecule footprinting technique based on DNA unzipping and determine the preferred binding sites of Thiocoraline with one base-pair resolution. This fast and radiolabelling-free footprinting technique provides direct access to the binding sites of small ligands to nucleic acids without the need of cleavage agents. Overall, our results provide new insights into the binding pathway of bis-intercalators and the reported selectivity might be of relevance for this and other anticancer drugs interfering with DNA replication and transcription in carcinogenic cell lines. © The Author(s) 2015. Published by Oxford University Press on behalf of Nucleic Acids Research.

  3. Isolation and Characterization of 1,3-Bis(vinylbenzylthymine: Copolymerization with Vinylbenzyl Thymine Ammonium Chloride

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    Ngoc Chau H. Vy

    2017-01-01

    Full Text Available A novel bioinspired molecule, 1,3-bis(vinylbenzylthymine (bisVBT, was isolated as a by-product during the synthesis of 1-(4-vinylbenzylthymine (VBT and analyzed with various techniques: NMR, IR, and Single-Crystal X-ray Diffraction. In addition to embodying all the desired characteristics of VBT (i.e., having the ability to undergo a 2π+2π photodimerization reaction upon UV irradiation, a derivatization site, hydrogen bonding sites, and aromatic stacking ability the bisVBT monomer has the added benefit of having two vinyl groups for cross-polymerization. Copolymerizing the bisVBT monomer with the charged monomer vinylbenzyl triethylammonium (VBA chloride, different copolymers/terpolymers/cross-linked network were obtained, as it was shown by the absence of the vinyl resonance in the NMR spectra. Thermal Gravimetric Analysis (TGA and Differential Scanning Calorimetry (DSC showed an indication of materials with low degree of cross-linking. A Gel Permeation Chromatography (GPC method was improved to better characterize the molecular weight distributions of the cationic structures. Preliminary qualitative cross-linking studies were performed on bisVBT-VBA copolymers, and a comparison with VBT-VBA copolymers is presented.

  4. Chemie

    Science.gov (United States)

    Kurzweil, Peter

    Das Kapitel "Chemie″ gibt eine kompakte Übersicht über die für den Maschinebau notwendigen chemischen Grundlagen und ihre technischen Anwendungen. Auf Atombau, Radioaktivität und Periodensystem folgen chemische Bindung, Stöchiometrie und chemische Reaktionen, Säuren und Basen, Fällungsreaktionen und Elektrochemie, bis hin zu den organischen Stoffklassen. Praktische Hinweise beleuchten die chemische Thermodynamik und Katalyse, Wasserhärte und Wasseraufbereitung, Luftverunreinigungen und Bauchemie, bis hin zu Batterien und Galvanotechnik.

  5. Synthesis and characterization of a stable bis-naphthyltin(II) compound.Bis[8-(dimethylamino)-1-naphthyl-C,N]tin(II) and its W(CO)5 adduct

    NARCIS (Netherlands)

    Koten, G. van; Jastrzebski, J.T.B.H.; Schaaf, P.A. van der; Boersma, J.; Heijdenrijk, D.; Goubitz, K.; Ridder, D.J.A. de

    1989-01-01

    Reaction of [8-(dimethylamino)-1-naphthyl-C, N]lithium with SnCl{2} affords the new monomeric stannylene bis[8-(dimethylamino)-1-naphthyl-C,N]tin(II) (3). The reaction between W(CO){5}(NME{3}) and 3 yields {bis[8-(dimethylamino)-1-naphthyl-C,N]tin(II)} tungsten pentacarbonyl (4). The crystal

  6. Acoplamiento molecular y actividad antibacteriana de las tioureas (R,R-N,N´-bis(1-ciclohexiletiltiourea y (R,R-N,N´-bis(1-feniletiltiourea

    Directory of Open Access Journals (Sweden)

    Fabían Martínez Flores

    2013-05-01

    Full Text Available Las tioureas, son compuestos resultantes de sustituir el átomo de oxígeno de la urea (NH2CONH2 por un átomo de azufre (NH2CSNH2. Actualmente se ha visto que las tioureas presentan diversas actividades biológicas, dentro de las que se encuentra la antimicrobiana. En el presente estudio se evaluó la actividad antibacteriana mediante acoplamiento molecular entre la enzima DNA girasa (receptor y las tioureas (R, R-N,N´-bis(1 ciclohexiletiltiourea (CYTU1 y (R,R-N,N´-bis(1-feniletiltiourea (CYTU2 como ligando en busca del posible mecanismo de acción de estos compuestos, los resultados muestran que existe interacción entre la enzima y ambas tioureas en el sitio activo. Por otro lado, también se evaluó la actividad antibacteriana frente a cepas de Sthapylococcus aureus, Escherichia coli y Pseudomonas fluorescens, mediante el método de microdilución en caldo con la adición de bromuro de 3-(4,5-dimetil-2-tiazolil-2,5-difeniltetrazolium (MTT, como parte del ensayo de viabilidad, mostrando una disminución de la misma sólo contra las bacterias gram negativas, siendo la tiourea CYTU2 la que mostró mejor actividad antibacteriana. Molecular docking and antibacterial activity thioureas (R,R-N,N´-bis(1-cyclohexyethylthiourea and (R,R-N,N´-bis(1-phenylethylthiourea Abstract Thioureas are resultant compounds of substitute the oxygen atom from urea (NH2CONH2 for a sulfur atom (NH2CSNH2. There are evidential that show the biological activity of thioureas, within which are antibacterial activity. We studied the antibacterial activity of two thioureas (R,R-N,N´-bis(1 cyclohexylethylthiourea (CYTU1 y (R,R-N,N´-bis(1 phenylethylthiourea (CYTU2 in silico using Molecular Docking between the DNA gyrase enzyme (receptor and the two thioureas (ligand. The results showed interaction between DNA girase and both thioureas on the pocket of the enzyme. By other hand, the biological activity was evaluated against the following bacterial strains: Sthapylococcus

  7. Chiral bis(amino acid)- and bis(amino alcohol)-oxalamide gelators. Gelation properties, self-assembly motifs and chirality effects.

    Science.gov (United States)

    Frkanec, Leo; Zinić, Mladen

    2010-01-28

    Bis(amino acid)- and bis(amino alcohol)oxalamide gelators represent the class of versatile gelators whose gelation ability is a consequence of strong and directional intermolecular hydrogen bonding provided by oxalamide units and lack of molecular symmetry due to the presence of two chiral centres. Bis(amino acid)oxalamides exhibit ambidextrous gelation properties, being capable to form gels with apolar and also highly polar solvent systems and tend to organise into bilayers or inverse bilayers in hydrogel or organic solvent gel assemblies, respectively. (1)H NMR and FTIR studies of gels revealed the importance of the equilibrium between the assembled network and smaller dissolved gelator assemblies. The organisation in gel assemblies deduced from spectroscopic structural studies are in certain cases closely related to organisations found in the crystal structures of selected gelators, confirming similar organisations in gel assemblies and in the solid state. The pure enantiomer/racemate gelation controversy is addressed and the evidence provided that rac-16 forms a stable toluene gel due to resolution into enantiomeric bilayers, which then interact giving gel fibres and a network of different morphology compared to its (S,S)-enantiomer gel. The TEM investigation of both gels confirmed distinctly different gel morphologies, which allowed the relationship between the stereochemical form of the gelator, the fibre and the network morphology and the network solvent immobilisation capacity to be proposed. Mixing of the constitutionally different bis(amino acid) and bis(amino alcohol)oxalamide gelators resulted in some cases in highly improved gelation efficiency denoted as synergic gelation effect (SGE), being highly dependent also on the stereochemistry of the component gelators. Examples of photo-induced gelation based on closely related bis(amino acid)-maleic acid amide and -fumaramide and stilbene derived oxalamides where gels form by irradiation of the solution of

  8. Impulsivity components measured by the Brazilian version of the Barratt Impulsiveness Scale (BIS-11

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    Alina Gomide Vasconcelos

    2015-03-01

    Full Text Available The main purpose of this study was to investigate the psychometric properties of the Barratt Impulsiveness Scale (BIS-11. Content item analysis was conducted by seven doctoral students. A convenience sample of 897 students was submitted to BIS-11 and they also filled self-reports about Minor Mental Disorder and ADHD symptoms, alcohol use and cigarette smoking. Mean age was 27.32 (SD=8.69 years, 56% were female and 52% had incomplete college degree. Content and factorial analyses revealed that impulsivity was best represented by two latent factors labeled non-planning and inhibition behaviors. Test retest agreement tended to produce similar score patterns seven months after the first evaluation. Additionally, BIS-11 scores discriminated subjects in terms of cigarette smoking and psychopathological symptoms, which indicated evidences regarding criterion-related validity. The theoretical discussion was present based on the neuropsychological model of hot and cool aspects of executive function.

  9. Synthesis of 2,2'-p-phenylene-bis-5-p-alkylphenyl oxazoles

    Energy Technology Data Exchange (ETDEWEB)

    Dhane, D.L.; Noras, K.A.; Mushrif, A.U.

    1984-01-01

    A convenient method has been described for the synthesis of 2, 2'-p-phenylene-bis-5-p-alkylphenyl oxazoles. This involves firstly the condensation of glycine with terepthaloyl chloride formed by the action of phosphorus pentachloride on terephthalic acid to give terephthaloyl diglycine which was then converted to its chloride. Terephtholyldiglycyl chloride was then used as an acylating agent in its reaction with ethylbenzene, toluene and benzene to give N,N'-substituted diamides which on dehydration gave 2,2'-p-phenylene-bis-5-p-alkylphenyl oxazole. One of the oxazoles viz 2,2'-p-phenylene-bis-5-pethylphenyl oxazole is hitherto unreported. Its nmr, ir and fluorescence spectrum have been recorded. 9 refs., 4 figs., 2 tabs.

  10. openBIS ELN-LIMS: an open-source database for academic laboratories.

    Science.gov (United States)

    Barillari, Caterina; Ottoz, Diana S M; Fuentes-Serna, Juan Mariano; Ramakrishnan, Chandrasekhar; Rinn, Bernd; Rudolf, Fabian

    2016-02-15

    The open-source platform openBIS (open Biology Information System) offers an Electronic Laboratory Notebook and a Laboratory Information Management System (ELN-LIMS) solution suitable for the academic life science laboratories. openBIS ELN-LIMS allows researchers to efficiently document their work, to describe materials and methods and to collect raw and analyzed data. The system comes with a user-friendly web interface where data can be added, edited, browsed and searched. The openBIS software, a user guide and a demo instance are available at https://openbis-eln-lims.ethz.ch. The demo instance contains some data from our laboratory as an example to demonstrate the possibilities of the ELN-LIMS (Ottoz et al., 2014). For rapid local testing, a VirtualBox image of the ELN-LIMS is also available. © The Author 2015. Published by Oxford University Press.

  11. Proton transfer bis-benzazole fluors and their use in scintillator detectors

    Science.gov (United States)

    Kauffman, J.M.

    1994-03-29

    A novel class of proton transfer, bis-benzazole, fluorescent compounds, i.e., fluors, is disclosed. The novel fluors include substituted or unsubstituted 1,4-bis(2-benzazolyl)-2-hydroxybenzenes and 1,4-bis(2-benzazolyl)-2-amidobenzenes wherein the benzazolyl group may be benzoxazolyl, benzimidazolyl, benzothiazolyl, and the like. The benzazolyl groups may be substituted with one or more alkyl groups to improve solubility in organic matrix materials such as solvents, monomers, resins, polymers, and the like. The novel fluors may be used in the manufacture of fluorescent coatings, objects, scintillators, light sources and the like. The novel fluors are particularly useful for radiation-hard, solid scintillators for the detection and measurement of high energy particles and radiation.

  12. Influence of body position, food and beverage consumption on BIS measurements

    Science.gov (United States)

    Medrano, G.; Eitner, F.; Ismail, A. H.; Pikkemaat, R.; Cordes, A.; Floege, J.; Leonhardt, S.

    2010-04-01

    Continuous monitoring of fluid changes using bioimpedance spectroscopy (BIS) during hemodialysis could help to predict hypotensive complications and extend the patient's life. Food and beverage consumption during the treatment may influence the measurements and the calculated fluid removal. In the present article the change observed in whole body and segmental (knee-to-knee, abdomen) BIS measurements following a sequence similar to the one of dialysis treatment (lying down, sitting and eating, lying down) on healthy subjects is presented. The measurements have been performed using a commercial bioimpedance device with a frequency range of 5 kHz to 1 MHz. Knee-to-knee measurements seem to be less sensitive to these influences, compared to the standard whole body and the alternative abdomen BIS measurements. The results indicate that the individual influence of both body posture and food and beverage consumption may be superposed when combined.

  13. Preparation, characterization and thermal stability of bentonite modified with bis-imidazolium salts

    Energy Technology Data Exchange (ETDEWEB)

    Makhoukhi, B., E-mail: benamarmakh@yahoo.fr [Laboratory of Separation and Purification Technologies, Department of Chemistry, Tlemcen University, Box 119, Tlemcen (Algeria); Villemin, D. [Laboratoire de Chimie Moléculaire et Thio-organique, UMR CNRS 6507, INC3M, FR 3038, ENSICAEN and Université de Caen, 14050 Caen (France); Didi, M.A. [Laboratory of Separation and Purification Technologies, Department of Chemistry, Tlemcen University, Box 119, Tlemcen (Algeria)

    2013-02-15

    Sodium bentonite was modified with several organic bis-imidazolium salts. Organoclays with water soluble surfactants were prepared by the traditional cation exchange reaction. The bis-imidazolium-bentonites were characterized by Fourier transform infrared spectroscopy (FTIR), powder X-ray diffraction analysis (PXRD) and thermogravimetric analysis (TGA). The effect of chemical composition and molecular weight of the salts on the thermal stability and basal spacing were evaluated. The bis-imidazolium-bentonites showed enhanced thermal stability (300–400 °C) and may be potentially useful materials for melt processing of polymer/layered silicates nanocomposites. - Highlights: ► Geometry and volume of the molecule influence on interlayer spacing of modified bentonites. ► The intercalation increases with molecule length. ► The modified bentonites have an appreciably higher thermal stability.

  14. Kirjalikud teated eesti libahundipärimuse kohta kuni 20. sajandini alguseni / Schriftliche Überlieferungen zum Werwolfsglauben in Estland bis Anfang des 20. Jahrhunderts

    Directory of Open Access Journals (Sweden)

    Tiina Vähi

    2011-01-01

    Full Text Available Die Geisteshaltung bei der Beschreibung des Werwolfglaubens ist seit Herodot (484-425 vor Chr. durch das Mittelalter bis zur Frühen Neuzeit relativ unverändert geblieben. Ein Merkmal der Kolonialliteratur ist der Ethnozentrismus bei der Darstellung von in der Peripherie lebenden Heiden bis hin zu deren Dämonisierung. Sebastian Münster (1489-1552 schrieb im fünften Band seines Werkes Cosmographey. Oder Beschreibung Aller Länder. (1544, dass es in Livland zahlreiche Hexen und Werwölfe gebe und Olaus Magnus schrieb in seinem Buch Historia de Gentibus Septentrionalibus (1555, dass Werwölfe in Livland mehr Schaden anrichteten als gewöhnliche Wölfe. Ein schreckenerregendes Bild von Übeltaten von Wölfen oder von in Werwölfe verwandelten Räubern malt der Jesuit Antonio Possevino (1533-1611, Gesandter des Papstes, in seinem Brief an die Herzogin von Mantua (verfasst in Tartu am 9. August 1585. Gegen Ende des Mittelalters erhielt die Tierwandlung, besonders die Verwandlung in einen Wolf, eine äußerst negative Bedeutung, sie wurde mit Lykanthropie in Verbindung gebracht. In einem Abschnitt von Balthasar Russows Chronica der Provintz Lyfflandt (1584, der die mehrwöchige Belagerung der Burg Toolse durch die Schweden 1574 während des Livländischen Krieges beschreibt, heißt es, dass die russischen Verteidiger den Belagerern jeden Abend als heulende Wolfsherde erschienen und die Angreifer so einschüchterten.Auch die aufgeklärten Gelehrten des 18. und beginnenden 19. Jahrhunderts kamen nicht gänzlich von den Konzepten der Vergangenheit los, ein „Werwolf“ drückte den Unglauben des Volkes aus, der von der Ungebildetheit des Volkes herrührte. August Wilhelm Hupel (1737-1819, der in der estnischen Kulturgeschichte als Sammler von Daten zur Geographie, Ethnographie und Bevölkerung Liv- und Estlands geschätzt wird, behandelte im sechsten Teil seines Werkes Nordische Miscellen (1781-1791 den Werwolfglauben, wobei er sich auf frühere von

  15. Bis-enoxacin blocks rat alveolar bone resorption from experimental periodontitis.

    Directory of Open Access Journals (Sweden)

    Mercedes F Rivera

    Full Text Available Periodontal diseases are multifactorial, caused by polymicrobial subgingival pathogens, including Porphyromonas gingivalis, Treponema denticola, and Tannerella forsythia. Chronic periodontal infection results in inflammation, destruction of connective tissues, periodontal ligament, and alveolar bone resorption, and ultimately tooth loss. Enoxacin and a bisphosphonate derivative of enoxacin (bis-enoxacin inhibit osteoclast formation and bone resorption and also contain antibiotic properties. Our study proposes that enoxacin and/or bis-enoxacin may be useful in reducing alveolar bone resorption and possibly bacterial colonization. Rats were infected with 10(9 cells of polymicrobial inoculum consisting of P. gingivalis, T. denticola, and T. forsythia, as an oral lavage every other week for twelve weeks. Daily subcutaneous injections of enoxacin (5 mg/kg/day, bis-enoxacin (5, 25 mg/kg/day, alendronate (1, 10 mg/kg/day, or doxycycline (5 mg/day were administered after 6 weeks of polymicrobial infection. Periodontal disease parameters, including bacterial colonization/infection, immune response, inflammation, alveolar bone resorption, and systemic spread, were assessed post-euthanasia. All three periodontal pathogens colonized the rat oral cavity during polymicrobial infection. Polymicrobial infection induced an increase in total alveolar bone resorption, intrabony defects, and gingival inflammation. Treatment with bis-enoxacin significantly decreased alveolar bone resorption more effectively than either alendronate or doxycycline. Histologic examination revealed that treatment with bis-enoxacin and enoxacin reduced gingival inflammation and decreased apical migration of junctional epithelium. These data support the hypothesis that bis-enoxacin and enoxacin may be useful for the treatment of periodontal disease.

  16. Light-induced EPR study of charge transfer in P3HT/bis-PCBM bulk heterojunctions

    National Research Council Canada - National Science Library

    Krinichnyi, Victor I; Yudanova, Eugenia I

    2011-01-01

    ... – 2.73 eV in bulk heterojunctions formed by poly(3-hexylthiophene) (P3HT) with bis(1-[3-(methoxycarbonyl)propyl]-1-phenyl)-[6.6]C62 (bis-PCBM) fullerene derivative have been studied by direct light-induced EPR...

  17. Well-Defined Silica Grafted Molybdenum Bis(imido) Catalysts for Imine Metathesis Reactions

    KAUST Repository

    Barman, Samir

    2017-04-06

    Novel site-isolated tetracoordinated molybdenum complexes possessing bis(imido) ligands, [(≡Si–O)2Mo(═NR)2] (R = t-Bu, 2,6-C6H3-i-Pr2), were immobilized on partially dehydroxylated silica (SiO2-200) by a rigorous surface organometallic chemistry protocol. The newly developed materials adorned with bis(imido) functional units, which were previously exploited mainly as spectator ligands on silica-supported olefin metathesis molybdenum catalysts, are found to be efficient heterogeneous catalytic systems for imine cross metathesis under mild conditions.

  18. Lithium bromide-induced structural changes in a nickel bis-alkoxide complex.

    Science.gov (United States)

    Ichiokai, Hiromi; Vicic, David A

    2013-01-01

    The bis-alkoxide [(DEAMP)2Ni] (1, DEAMP = 1-(diethylamino)-2-methylpropan-2-olate) was found to react with trace amounts of lithium bromide to afford the bis-LiBr adduct 2, in which the oxygens of the DEAMP ligand coordinate to lithium to form a chiral-at-metal complex. This new complex is five-coordinate at nickel, and contains nickel and oxygen atoms which are all chiral. One diastereomer precipitates from pentane solution. The two lithium ions rigidify the new structure in the solid state by coordinating to the oxygen and bromide atoms.

  19. Lecture notes on: Electrical theory behind the measurement of body fluids with bioimpedance spectroscopy (BIS)

    DEFF Research Database (Denmark)

    Jødal, Lars

    The lecture notes describe how body fluid volumes can be measured/estimated using the technique bio-impedance spectroscopy (BIS). The opening chapters assume little or none technical/mathematical knowledge and can hopefully be read by anyone interested in the techneque. Later chapters become more...... technical, but are started with a summary of the conclusions. The aim of the lecture notes is to give an understanding of the technique, its assumptions, and its limitations. A specific BIS device is analyzed with references to peer-reviewed literature....

  20. Mannitol Bis-phosphate Based Inhibitors of Fructose 1,6-Bisphosphate Aldolases.

    Science.gov (United States)

    Mabiala-Bassiloua, Charles-Gabin; Arthus-Cartier, Guillaume; Hannaert, Véronique; Thérisod, Hélène; Sygusch, Jurgen; Thérisod, Michel

    2011-11-10

    Several 5-O-alkyl- and 5-C-alkyl-mannitol bis-phosphates were synthesized and comparatively assayed as inhibitors of fructose bis-phosphate aldolases (Fbas) from rabbit muscle (taken as surrogate model of the human enzyme) and from Trypanosoma brucei. A limited selectivity was found in several instances. Crystallographic studies confirm that the 5-O-methyl derivative binds competitively with substrate and the 5-O-methyl moiety penetrating deeper into a shallow hydrophobic pocket at the active site. This observation can lead to the preparation of selective competitive or irreversible inhibitors of the parasite Fba.

  1. A Novel Bis-Thiourea Organocatalyst for the Asymmetric Aza-Henry Reaction

    Science.gov (United States)

    Rampalakos, Constantinos; Wulff, William D.

    2013-01-01

    A novel bis-thiourea BINAM-based catalyst for the asymmetric aza-Henry reaction has been developed. This catalyst promotes the reaction of N-Boc imines with nitroalkanes to afford β-nitroamines with good yields and high enantioselectivities. This catalyst has the advantage that it can be prepared in a single step from commercially available materials. A model is proposed for the catalyst action where the both components of the reaction are activated simultaneously by hydrogen bonding. Regardless of the mechanism, the success of the present catalyst demonstrates the potential of bis-thioureas as an interesting class of relatively unexplored catalysts. PMID:23795151

  2. Highly selective oxalate-membrane electrode based on 2,2'-[1,4-butandiyle bis(nitrilo propylidine)]bis-1-naphtholato copper(II).

    Science.gov (United States)

    Ardakani, M Mazloum; Jalayer, M; Naeimi, H; Heidarnezhad, A; Zare, H R

    2006-01-15

    A new oxalate-selective electrode based on the complex 2,2'-[1,4-butandiyle bis(nitrilo propylidine)]bis-1-naphtholato copper(II) (CuL) as the membrane carrier was developed. The electrode exhibited a good Nernstian slope of -29.2+/-0.6 mV/decade (mean value+/-standard deviation, n=5) and a linear range of 5.0 x 10(-8) to 1.0 x 10(-1)M for oxalate. The limit of detection was 5.0 x 10(-8)M. This electrode represents a fast response time (i.e. 10-15s) and could be used for more than 3 months. The selectivity coefficients were determined by the fixed interference method (FIM) and could be used in the pH range of 2.0-7.0. It was employed as an indicator electrode for the determination of oxalate in water samples.

  3. Poly [1,1'-bis(ethynyl)-4,4'-biphenyl(bis-tributylphosphine)Pt(II)] solutions used as low dose ionizing radiation dosimeter

    Energy Technology Data Exchange (ETDEWEB)

    Bronze-Uhle, E. S.; Graeff, C. F. O. [Department of Physics, FC-UNESP, Av. Eng. Luiz Edmundo Carrijo Coube 14-01, 17033-360 Bauru (Brazil); Batagin-Neto, A.; Fernandes, D. M. [UNESP-Univ Estadual Paulista, POSMAT-Programa de Pos-Graduacao em Ciencia e Tecnologia de Materiais, Bauru, Sao Paulo (Brazil); Fratoddi, I.; Russo, M. V. [Department of Chemistry, University of Rome ' Sapienza,' P.le A. Moro 5, 00185 Rome (Italy)

    2013-06-17

    In this work, the effect of gamma radiation on the optical properties of polymetallayne poly[1,1'-bis(ethynyl)-4,4'-biphenyl(bis-tributylphosphine)Pt(II)] (Pt-DEBP) in chloroform solution is studied. The samples were irradiated at room temperature with doses from 0.01 Gy to 1 Gy using a {sup 60}Co gamma ray source. A new band at 420 nm is observed in the emission spectra, in superposition to the emission maximum at 398 nm, linearly dependent on dose. We propose to use the ratio of the emission amplitude bands as the dosimetric parameter. This method proved to be robust, accurate, and can be used as a dosimeter in medical applications.

  4. Poly [1,1'-bis(ethynyl)-4,4'-biphenyl(bis-tributylphosphine)Pt(II)] solutions used as low dose ionizing radiation dosimeter

    Science.gov (United States)

    Bronze-Uhle, E. S.; Batagin-Neto, A.; Fernandes, D. M.; Fratoddi, I.; Russo, M. V.; Graeff, C. F. O.

    2013-06-01

    In this work, the effect of gamma radiation on the optical properties of polymetallayne poly[1,1'-bis(ethynyl)-4,4'-biphenyl(bis-tributylphosphine)Pt(II)] (Pt-DEBP) in chloroform solution is studied. The samples were irradiated at room temperature with doses from 0.01 Gy to 1 Gy using a 60Co gamma ray source. A new band at 420 nm is observed in the emission spectra, in superposition to the emission maximum at 398 nm, linearly dependent on dose. We propose to use the ratio of the emission amplitude bands as the dosimetric parameter. This method proved to be robust, accurate, and can be used as a dosimeter in medical applications.

  5. Electrochemical synthesis and structural characterization of a novel mixed-valence copper(I)-copper(II) complex: {[bis(ethylenediamine)copper(II)] bis[diiodocuprate(I)]}.

    Science.gov (United States)

    Fotouhi, Lida; Dehghanpour, Saeed; Heravi, Majid M; Ardakani, Mahboobeh Dashti

    2007-07-12

    A novel, mixed-valent copper(I)-copper(II) complex, {[bis(ethylene-diamine)copper(II)] bis[diiodocuprate(I)]} (1), has been prepared by electrochemical dissolution of a sacrificial copper anode in a solution of ethylenediamine (en), I2 and tetraethylammoniumperchlorate (TEAP) as supporting electrolyte in acetonitrile (AcN)and characterized by single-crystal X-ray structure determination. The crystal structure of the complex 1 shows that it consists of a CuI2 polymer formed from I- ligands bridging Cu(I) ions, with a nearly square planar geometry of bivalent Cu(II) atoms chelated by two ethylenediamine ligands. The results also show that direct electrosynthesis of the complex had high current efficiency, purity and electrolysis yield.

  6. Crystal structures of μ-oxalato-bis-[azido-(hista-mine)-copper(II)] and μ-oxalato-bis-[(dicyan-amido)(hista-mine)-copper(II)

    National Research Council Canada - National Science Library

    Liu, Chen; Abboud, Khalil A

    2015-01-01

    ...(C5H9N3)2], (I), and μ-ox-al-ato-κ(4) O (1),O (2):O (1'),O (2')-bis-[[4-(2-amino-eth-yl)-1H-imidazole-κ(2) N (3),N (4)](dicyanamido-κN (1))copper(II)], [Cu2(C2O4)(C2N3)2(C5H9N3)2], (II), are two oxalate-bridged dinuclear copper complexes...

  7. Recent Progress on the Photonic Properties of Conjugated Organometallic Polymers Built Upon the trans-Bis(para-ethynylbenzene)bis(phosphine)platinum(II) Chromophore and Related Derivatives.

    Science.gov (United States)

    Wong, Wai-Yeung; Harvey, Pierre D

    2010-04-20

    This review article surveys the electronic and photophysical properties of conjugated organometallic polymers built upon the title compound and its related derivatives focussing primarily on systems investigated in our laboratories. The general structure of the polymers is (trans-bis(para-ethynylbenzene)bis(phosphine)platinum(II)-G)(n) where G is a conjugated group such as thiophene, fluorene, carbazole, substituted silole, quinone derivative, and metalloporphyrin residue, or a non-conjugated main-group moiety. Systems based on substituted phenylene units and other related fused rings are also discussed. The phosphine ligands are generally triethyl- or tri-n-butylphosphine groups. These trans-platinum(II) polymers and the corresponding model compounds are compared to the corresponding ortho-derivatives in the quinone series, and the newly prepared paracyclophane-containing polymers. For the porphyrin series, a comparison of fully conjugated oligomers exhibiting the general structure (trans-bis(para-ethynyl(zinc(porphyrin)))bis(phosphine)platinum(II))(n) (i.e., the C(6) H(4) group is absent from the main chain) will be made. This contribution also includes a description of the properties of the mononuclear chromophore itself, properties that define those of the polymers. Potential applications with regard to electronic and optical devices will be highlighted. These soluble and stable materials feature both the processing advantages of polymers and the functionality provided by the presence of metal centers. These multifunctional organometallic polyyne polymers exhibit convenient structural variability as well as optical and electronic properties, which renders them important for use in different research domains as chemical sensors and sensor protectors, as converters for light/electricity signals, and as patternable precursors to magnetic metal alloy nanoparticles. Copyright © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Highly luminescent, triple- and quadruple-stranded, dinuclear Eu, Nd, and Sm(III) lanthanide complexes based on bis-diketonate ligands

    NARCIS (Netherlands)

    Bassett, A.P.; Magennis, S.W.; Glover, P.B.; Lewis, D.J.; Spencer, N.; Parsons, S.; Williams, R.M.; De Cola, L.; Pikramenou, Z.

    2004-01-01

    The bis(beta-diketone) ligands 1,3-bis(3-phenyl-3-oxopropanoyl)benzene, H(2)L(1) and 1,3-bis(3-phenyl-3-oxopropanoyl) 5-ethoxy-benzene, H(2)L(2), have been prepared for the examination of dinuclear lanthanide complex formation and investigation of their properties as sensitizers for lanthanide

  9. Highly luminescent, triple- and quadruple-stranded, dinuclear Eu, Nd, and Sm(III) lanthanide complexes based on bis-diketonate ligands

    NARCIS (Netherlands)

    Bassett, A.P.; Magennis, S.W.; Glover, P.B.; Lewis, D.J.; Spencer, N.; Parsons, S.; Williams, R.M.; De Cola, L.; Pikramenou, Z.

    2004-01-01

    The bis(beta-diketone) ligands 1,3-bis(3-phenyl-3-oxopropanoyl)benzene, H2L1 and 1,3-bis(3-phenyl-3-oxopropanoyl) 5-ethoxy-benzene, H2L2, have been prepared for the examination of dinuclear lanthanide complex formation and investigation of their properties as sensitizers for lanthanide luminescence.

  10. Synthesis, characterization and structure effects on preconcentration and extraction of N,N'-bis-(salicylaldehydene)-1,4-bis-(p-aminophenoxy) butane towards some divalent cations.

    Science.gov (United States)

    Ziyadanoğullari, Berrin; Ceviziçi, Deniz; Temel, Hamdi; Ziyadanoğullari, Recep

    2008-01-31

    Separation with solvent extraction of Cu(II), Co(II) and Ni(II) from aqueous solution using N,N'-bis-(salicylaldehydene)-1,4-bis-(p-aminophenoxy)butane (H(2)L) as the new extractant has been studied. The new Schiff base, was synthesized by reaction of 1,4-bis-(p-aminophenoxy)butane and salicylaldehyde. Microanalytical data, elemental analysis, UV-vis (1)H NMR and (13)C NMR spectra and IR-spectra were used to confirm the structures. The extractability and selectivity of divalent cations was evaluated as a function of relationship between distribution ratios of the metal and pH or ligand concentration. Cu(+2) showed the highest extractability and selectivity at pH 7.8, whereas Ni(+2) and Co(+2) showed at pH 9.2. From the loaded organic phase, Cu(II), Co(II), Ni(II) stripping were carried out in one stage with aqueous acid solution including various concentrations of HCl. The stripping efficiency was found to be quantitative in case of 1.5M HCl. From quantitative evaluation of the extraction equilibrium data, it has been deduced that the complexes extracted are the simple 1:1 chelates, CuL, CoL, NiL.

  11. Optical and magneto-optical properties of spin coated films of novel trinuclear bis(oxamato) and bis(oxamidato) type complexes

    Energy Technology Data Exchange (ETDEWEB)

    Abdulmalic, Mohammad A. [Technische Universität Chemnitz, Fakultät für Naturwissenschaften, Institut für Chemie, Straße der Nationen 62, D-09111 Chemnitz (Germany); Fronk, Michael [Technische Universität Chemnitz, Fakultät für Naturwissenschaften, Institut für Physik, Reichenhainer Straße 70, D-09107 Chemnitz (Germany); Bräuer, Björn [Stanford Institute of Materials and Energy Science, Stanford University, Stanford, CA 94025 (United States); Zahn, Dietrich R.T. [Technische Universität Chemnitz, Fakultät für Naturwissenschaften, Institut für Physik, Reichenhainer Straße 70, D-09107 Chemnitz (Germany); Salvan, Georgeta, E-mail: salvan@physik.tu-chemnitz.de [Technische Universität Chemnitz, Fakultät für Naturwissenschaften, Institut für Physik, Reichenhainer Straße 70, D-09107 Chemnitz (Germany); Eya' ane Meva, Francois [Department of Pharmaceutical Sciences, Faculty of Medicine and Pharmaceutical Sciences, University of Douala, BP 2701 (Cameroon); and others

    2016-12-01

    This work reports the first example of the spectroscopic measurements of the Magneto-Optical Kerr Effect (MOKE) of films being composed of trinuclear transition metal complexes on a non-transparent substrate at room temperature. The thin films of the tailor-made trinuclear bis(oxamidato) type complex 5 ([Cu{sub 3}(opbo{sup n}Pr{sub 2})(tmcd){sub 2}(NO{sub 3}){sub 2}], opbo{sup n}Pr{sub 2} = o-phenylenebis(N’-{sup n}propyloxamido, tmcd=trans-(1 R,2 R)-N,N,N′,N′-tetramethyl-cyclohexanediamine) and of the bis(oxamato) type complexes 11 ([Cu{sub 2}Ni(opbaCF{sub 3})(pmdta){sub 2}(NO{sub 3}){sub 2}], opbaCF{sub 3} = 4-trifluoromethyl-o-phenylenebis(oxamato), pmdta = N,N,N,′N″,N″-pentamethyldiethylenetriamine) and 12 ([Cu{sub 3}(opba)(bppe){sub 2}(NO{sub 3}){sub 2}] (opba = o-phenylenebis(oxamato), bppe = S-N,N-bis(2-picolyl)−1-phenylethylamine) were fabricated by spin-coating and their thicknesses in the range between 0.5 µm and 2 µm was determined by spectroscopic ellipsometry. Based on the spectroscopic ellipsometry results it was also possible to determine the optical constants of the film and compare them with the absorption of the complexes in solution in order to confirm the complex integrity after the film deposition. The fabrication of high-quality films which exhibit Kerr rotation up to 0.2 mrad (11.5 mdeg) was only possible due to tailor-made synthesis, which allows circumventing intermolecular interactions of the trinuclear complexes during the film formation. - Highlights: • Tailor-made trinuclear bis(oxamidato) and bis(oxamato) type complexes were synthesized. • Thin films (between 0.5 µm and 2 µm) were fabricated by spin-coating. • The film optical constants indicate the complex integrity after the deposition. • Film quality enabled first spectroscopic MOKE measurements of multi-nuclear complexes. • Magneto-optical Kerr rotation up to 11.5 mdeg was observed at RT (in 1.7 T).

  12. A New Epoxy Bis-Phosphonate Crosslinker for Durable Fire Retardancy on Cotton

    Science.gov (United States)

    A new epoxy bis-phosphonate crosslinker for cotton [2-(dimethoxy-phosphorylmethyl)-oxiranylmethyl]-phosphonic acid dimethyl ester was prepared in two steps from 3-chloro-2-chloromethylpropene in 55% yield. The new monomer was characterized by proton and carbon NMR and GC-mass spectrometry. This cro...

  13. N, N′-Olefin functionalized Bis-Imidazolium Pd (II) chloride N ...

    Indian Academy of Sciences (India)

    N, N′-Olefin functionalized Bis-Imidazolium Pd(II) chloride N-Heterocyclic carbene complex builds a supramolecular framework and shows catalytic efficacy for `C–C' coupling reactions. Gourisankar Roymahapatra Tapastaru Samanta Saikat Kumar Seth Ambikesh Mahapatra Shyamal Kumar Chattopadhyay Joydev Dinda.

  14. Predicting internalizing symptoms over a two year period by BIS, FFFS and attentional control

    NARCIS (Netherlands)

    Sportel, B. Esther; Nauta, Maaike H.; de Hullu, Eva; de Jong, Peter J.

    Identifying risk factors for the development of internalizing disorders is of major importance. In this context, behavioral inhibition (BIS), the fight-flight-freeze-system (FFFS), and attentional control (AC) have been proposed as being possible risk factors for both anxiety disorders and

  15. Einsatz von BINOL/Biphenol-Mischkomplexen und immobilisierten Aza-bis(oxazolinen) in der asymmetrischen Katalyse

    OpenAIRE

    Werner, Heiko

    2003-01-01

    In der vorgelegten Dissertation wurde das Prinzip der asymmetrischen Aktivierung anhand des LLB-Katalysators untersucht. Weiterhin konnte die Ligandenklasse der Aza-bis(oxazoline) an polymere Träger gebunden und anschließend in der asymmetrischen Katalyse als Katalysatoren eingesetzt werden.

  16. Transition metal coordination chemistry ofN,N-bis(2-{pyrid-2-ylethyl})hydroxylamine.

    Science.gov (United States)

    Belock, Christopher W; Cetin, Anil; Barone, Natalie V; Ziegler, Christopher J

    2008-08-18

    Although directly relevant to metal mediated biological nitrification as well as the coordination chemistry of peroxide, the metal complexes of hydroxylamines and their functionalized variants remain largely unexplored. The chelating hydroxylamine ligand N,N-bis(2-{pyrid-2-ylethyl})hydroxylamine can be readily generated via a solvent free reaction in high purity; however, the ligand is prone to decomposition which can hamper metal reaction. N,N-bis(2-{pyrid-2-ylethyl})hydroxylamine forms stable complexes with chromium(III), manganese(II), nickel(II), and cadmium(II) ions, coordinating in a side-on mode in the case of chromium and via the nitrogen in the case of the latter three metal ions. The hydroxylamine ligand can also be reduced to form N,N-bis(2-{pyrid-2-ylethyl})amine upon exposure to a stoichiometric amount of the metal salts cobalt(II) nitrate, vanadium(III) chloride, and iron(II) chloride. In the reaction with cobalt nitrate, the reduced ligand then chelates to the metal to form [N,N-bis(2-{pyrid-2-ylethyl})amine]dinitrocobalt(II). Upon reaction with vanadium(III) chloride and iron(III) chloride, the reduced ligand is isolated as the protonated free base, resulting from a metal-mediated decomposition reaction.

  17. Diversity of RuBisCO and ATP citrate lyase genes in soda lake sediments

    NARCIS (Netherlands)

    Kovaleva, O.L.; Tourova, T.P.; Muyzer, G.; Kolganova, T.V.; Sorokin, D.Y.

    2011-01-01

    Sediments from six soda lakes of the Kulunda Steppe (Altai, Russia) and from hypersaline alkaline lakes of Wadi Natrun (Egypt) were analyzed for the presence of cbb and aclB genes encoding key enzymes Ci assimilation (RuBisCO in Calvin-Benson and ATP citrate lyase in rTCA cycles, respectively). The

  18. Report ETSI M2M-14bis JTC March 2011 meeting

    NARCIS (Netherlands)

    Keesmaat, N.W.

    2011-01-01

    The ETSI Technical Committee (TC) M2M focuses on the development of a generic M2M architecture and underlying protocols suitable for a wide range of M2M environments. Whereas in the past effort has been put in the development of several use cases, the focus of this M2M 14bis meeting – held in Sophia

  19. [Lexikon des alten Handwerks. Vom späten Mittelalter bis ins 20. Jahrhundert] / Raimo Pullat

    Index Scriptorium Estoniae

    Pullat, Raimo, 1935-

    2009-01-01

    Arvustus: Lexikon des alten Handwerks. Vom späten Mittelalter bis ins 20. Jahrhundert. Hrsg. von Reinhold Reith. München, 1991. Leksikoni autorid on piirdunud geograafiliselt saksa keeleruumiga. Kirjeldatud on peamiselt neid elukutseid, mis kajastavad nn vana käsitöö töö- ja elulaadi põhielemente.

  20. 40 CFR 721.1920 - 1,4-Bis(3-hydroxy-4-benzoylphenoxy)butane.

    Science.gov (United States)

    2010-07-01

    ...)butane. 721.1920 Section 721.1920 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED... Specific Chemical Substances § 721.1920 1,4-Bis(3-hydroxy-4-benzoylphenoxy)butane. (a) Chemical substance...-hydroxy-4-benzoylphenoxy)butane (PMN P-93-483) is subject to reporting under this section for the...

  1. Bis-phosphine allene ligand: coordination chemistry and preliminary applications in catalysis.

    Science.gov (United States)

    Vanitcha, Avassaya; Damelincourt, Cecilia; Gontard, Geoffrey; Vanthuyne, Nicolas; Mouriès-Mansuy, Virginie; Fensterbank, Louis

    2016-05-21

    A 1,3-bis-diphenylphosphine allene can give rise to new coordination complexes with palladium, platinum and gold metals. These complexes were fully characterized by NMR, HRMS and X-ray diffraction analysis. For gold(i), the corresponding dinuclear complex has been used in a series of diagnostic catalytic reactions and gave promising preliminary results in asymmetric catalysis.

  2. Electronic states of 1,4-bis(phenylethynyl)benzene. A synchrotron radiation linear dichroism investigation

    DEFF Research Database (Denmark)

    Nguyen, Duy Duc; Jones, Nykola C.; Hoffmann, Søren Vrønning

    2012-01-01

    The electronic transitions of 1,4-bis(phenylethynyl)benzene (BPEB) were investigated by UV synchrotron radiation linear dichroism (SRLD) spectroscopy in the range 25,000 – 58,000 cm–1 (400 – 170 nm) on molecular samples aligned in stretched polyethylene. The investigation was supported by variabl...

  3. A Bis-Calix[4]pyrrole Enzyme Mimic that Constrains Two Oxoanions in Close Proximity

    DEFF Research Database (Denmark)

    He, Qing; Kelliher, Michael; Bähring, Steffen

    2017-01-01

    Herein we describe a large capsule-like bis-calix[4]pyrrole 1 , that is able to host concurrently two dihydrogen phosphate anions within a relatively large internal cavity. Evidence for the concurrent, dual recognition of the encapsulated anions came from 1H NMR and UV-vis spectroscopies and ITC...

  4. Synthesis and Anti-Proliferative Effects of Mono- and Bis-Purinomimetics Targeting Kinases

    Directory of Open Access Journals (Sweden)

    Andrea Bistrović

    2017-11-01

    Full Text Available A series of mono-pyrrolo[2,3-d]pyrimidines 4a–4k, unsymmetrical bis-purine isosteres 5a–5e and symmetrical bis-pyrrolo[2,3-d]pyrimidines 6a and 6b connected via di(1,2,3-triazolylphenyl linker were synthesized by click chemistry. Whereas mono- 4g and bis-pseudopurine 5e showed selective inhibitory activities on cervical carcinoma (HeLa cells, bis-pyrrolo[2,3-d]pyrimidine 6b exhibited potent and selective anti-proliferative effect in the nanomolar range on pancreatic carcinoma (CFPAC-1 cells. Among these, compound 6b induced a significant reduction in the expression level of CDK9 (cyclin-dependent kinase 9/cyclin T1 in CFPAC-1 cells concomitant with attenuation of proliferative signaling mediated by c-Raf (rapidly accelerated fibrosarcoma and p38 MAP (mitogen-activated protein kinases. Our findings encourage further development of novel structurally related analog of 6b to obtain more selective anticancer agent for treating pancreatic cancer.

  5. 1,2-Bis (pyridin-2-ylmethyl)sulfanyl ethane and its dimorphic hydrochloride salt

    DEFF Research Database (Denmark)

    Lennartson, A.; McKenzie, C. J.

    2011-01-01

    Although having been described as a liquid in the literature for 41 years, 1,2-bis[(pyridin-2-ylmethyl)sulfanyl]ethane, C14H16N2S2, (I), has now been obtained as monoclinic crystals via a new and convenient method of purification. Molecules of (I) are located on crystallographic inversion centres...

  6. Ne2 encodes protein (s) and the altered RuBisCO could be the ...

    Indian Academy of Sciences (India)

    ) and the altered RuBisCO could be the proteomics leader of hybrid necrosis in wheat (Triticum aestivum L.) SI RUI PAN XING LAI PAN QIANYING PAN YIN HONG SHI LI ZHANG YUN FAN YAN RUI XUE. RESEARCH ARTICLE Volume 96 ...

  7. N-doping of organic semiconductors by bis-metallosandwich compounds

    Energy Technology Data Exchange (ETDEWEB)

    Barlow, Stephen; Qi, Yabing; Kahn, Antoine; Marder, Seth; Kim, Sang Bok; Mohapatra, Swagat K.; Guo, Song

    2016-01-05

    The various inventions disclosed, described, and/or claimed herein relate to the field of methods for n-doping organic semiconductors with certain bis-metallosandwich compounds, the doped compositions produced, and the uses of the doped compositions in organic electronic devices. Metals can be manganese, rhenium, iron, ruthenium, osmium, rhodium, or iridium. Stable and efficient doping can be achieved.

  8. Spin-Crossover in a Pseudo-tetrahedral Bis(formazanate) Iron Complex

    NARCIS (Netherlands)

    Travieso-Puente, Raquel; Broekman, J.O.P.; Chang, Mu-Chieh; Demeshko, Serhiy; Meyer, Franc; Otten, Edwin

    2016-01-01

    Spin-crossover in a pseudo-tetrahedral bis(formazanate) iron(II) complex (1) is described. Structural, magnetic, and spectroscopic analyses indicate that this compound undergoes thermal switching between an S=0 and an S=2 state, which is very rare in four-coordinate complexes. The transition to the

  9. Die Freiheit ist grausam : die schwierige Geschichte der baltischen Staaten bis heute / Wilhelm Schmid

    Index Scriptorium Estoniae

    Schmid, Wilhelm

    1993-01-01

    Raamatututvustused: Marianna Butenschön. Estland, Lettland, Litauen : das Baltikum auf dem langen Weg in die Freiheit. München: Piper Verlag, 1992 (Serie Piper 1416). 367 S. ; Alexander Schmidt. Geschichte des Baltikums : von den alten Göttern bis zur Gegenwart. München : Piper Verlag, 1992. (Serie Piper 1518). 288 S.

  10. Is Cytox 3522 (10% methylene-bis-thiocyanate) a human skin sensitizer?

    DEFF Research Database (Denmark)

    Andersen, Klaus Ejner; Hamann, K

    1983-01-01

    Methylene-bis-thiocyanate is an antimicrobial agent in Cytox 3522 (American Cyanamid Corporation) and Nalco 206 (Nalco Chemical Company). Both are wide-spectrum industrial biocides. Cytox 3522 showed a strong sensitization potential in guineau pigs using the Guinea Pig Maximization Test...

  11. Long alkyl chain bis-quaternary ammonium-based ionic liquids as biologically active xanthene dyes

    Energy Technology Data Exchange (ETDEWEB)

    Pernak, Juliusz; Swierczynska, Anna; Walkiewicz, Filip [Poznan Univ. of Technology, Poznan (Poland). Faculty of Chemical Technology; Krystkowiak, Ewa [A. Mickiewicz University, Poznan, (Poland). Faculty of Chemistry; Maciejewski, Andrzej [A. Mickiewicz University, Poznan (Poland). Centre of Ultrafast Laser Spectroscopy

    2009-07-01

    New examples of air- and moisture-stable, hydrophobic and hydrophilic bis-quaternary ammonium derived ionic liquids have been prepared. These ionic liquids have been proposed to act as biological active dyes with characteristic unique physicochemical properties, providing alternatives to some conventional anionic xanthene dyes such as eosine Y, fluorescein and erythrosine. (author)

  12. Using bis(pinacolato)diboron to improve the quality of regioregular conjugated co-polymers

    NARCIS (Netherlands)

    Brouwer, Frank; Alma, Jan; Valkenier, Hennie; Voortman, Thomas P.; Hillebrand, Jorrit; Chiechi, Ryan C.; Hummelen, Jan C.

    2011-01-01

    We demonstrate the use of bis(pinacolato)diboron to directly polymerize symmetric, bisbromo, thiophene-based monomers via a Suzuki homo-polymerization to form co-polymers in less steps than the corresponding co-polymerization. We compare this method to the commonly used Stille co-polymerization by

  13. Synthesis 1, 3-bis (4-bromophenyl-5-isopropyl-1, 3, 5-triazacyclohexane

    Directory of Open Access Journals (Sweden)

    L. LEFRADA

    2015-03-01

    Full Text Available Condensation of an isopropylamine and an 4-bromoaniline with formaline in basic solution to give 1, 3-bis (4-bromophenyl-5- (isopropyl- 1, 3, 5- triazicyaclohexane. Through the interaction of rapid Schiff base, Structures of this compound have been elucidated by spectroscopic methods; IR, 1H NMR, 13C NMR. Their purities were confirmed by elemental analyses.

  14. [Monitoring of consciousness with BIS during induction of anesthesia. Which muscle relaxant?].

    Science.gov (United States)

    Gazzanelli, S; Vari, A; Tarquini, S; Fermariello, A; Caputo, M; Almansour, M; Costi, U; Basso, L; Casullo, L; Izzo, L

    2005-04-01

    The BIS-index data show that an opiate as Fentanyl is advisable with associations Cisatracurium/Propofol or Vecuronium/Propofol. It is possible to use in these cases a drip infusion to avoid the risk of awareness during intubation.

  15. Coordination-assembly for quantitative construction of bis-branched molecular shuttles.

    Science.gov (United States)

    Zhu, Liangliang; Lu, Meiqun; Qu, Dahui; Wang, Qiaochun; Tian, He

    2011-06-07

    The development and utilization of a new way to build molecular devices is of importance. To build a novel topology of interlocked molecular systems with a controllable mechanical motion, an axle-like compound comprising azobenzene and alkoxy isophthalate moieties was synthesized first. It would form a switchable hemi-rotaxane structure with α-cyclodextrin (α-CD) ring encapsulated in aqueous solution. Next, the hemi-rotaxane was reacted with ethylene diamine palladium nitrate (Pd(en)(NO(3))(2)) and ethylene diamine platinum nitrate (Pt(en)(NO(3))(2)), respectively, to quantitatively form two bis-branched molecular shuttles in situ. The bis-coordinated Pd(II) complex was formed quickly at room temperature, whereas the bis-coordinated Pt(II) one was effectively treated at 333 K but more stable than the former. In this case, transformation of ring shuttling direction could take place in the stable bis-branched Pt(II) complex. The steric effect of the co-stopper, namely the Pt(II) metal center, made the α-CD ring dynamically shuttle inwards to the alkoxy isophthalate station with the azobenzene's photoisomerization, rather than dethreading from the axle.

  16. Investigation of Keto-enol Tautomers during the Synthesis of Aryl-bis ...

    Indian Academy of Sciences (India)

    This study investigated the existence of keto-enol tautomers for the first time during the synthesis of aryl-bis(2-hydroxy-1-naphthyl)methane from 2-naphthol and -tolualdehyde or 4-chlorobenzaldehyde in methanol using CuSO4.5H2O as catalyst under reflux condition. The exclusive formation of ...

  17. Porphyrin amino acids-amide coupling, redox and photophysical properties of bis(porphyrin) amides.

    Science.gov (United States)

    Melomedov, Jascha; Wünsche von Leupoldt, Anica; Meister, Michael; Laquai, Frédéric; Heinze, Katja

    2013-07-14

    New trans-AB2C meso-substituted porphyrin amino acid esters with meso-substituents of tunable electron withdrawing power (B = mesityl, 4-C6H4F, 4-C6H4CF3, C6F5) were prepared as free amines 3a-3d, as N-acetylated derivatives Ac-3a-Ac-3d and corresponding zinc(II) complexes Zn-Ac-3a-Zn-Ac-3d. Several amide-linked bis(porphyrins) with a tunable electron density at each porphyrin site were obtained from the amino porphyrin precursors by condensation reactions (4a-4d) and mono- and bis(zinc(II)) complexes Zn(2)-4d and Zn(1)Zn(2)-4d were prepared. The electronic interaction between individual porphyrin units in bis(porphyrins) 4 is probed by electrochemical experiments (CV, EPR), electronic absorption spectroscopy, steady-state and time-resolved fluorescence spectroscopy in combination with DFT/PCM calculations on diamagnetic neutral bis(porphyrins) 4 and on respective charged mixed-valent radicals 4(+/-). The interaction via the -C6H4-NHCO-C6H4- bridge, the site of oxidation and reduction and the lowest excited singlet state S1, is tuned by the substituents on the individual porphyrins and the metalation state.

  18. Bis(imino)pyridine (BIMP) Fe(II) catalyses one-pot green ...

    Indian Academy of Sciences (India)

    483–486. c Indian Academy of Sciences. Bis(imino)pyridine (BIMP) Fe(II) catalyses one-pot green condensation of resorcinol, malononitrile, aromatic aldehydes and cyclohexanone. SAMAN DAMAVANDIa,∗ and REZA SANDAROOSb. aDepartment of Chemistry, Sarvestan Branch, Islamic Azad University, Sarvestan, Iran.

  19. Reversible gel-sol photoswitching with an overcrowded alkene-based bis-urea supergelator

    NARCIS (Netherlands)

    Wezenberg, Sander J.; Croisetu, Christelle M.; Stuart, Marc C. A.; Feringa, Ben L.

    2016-01-01

    A new type of low-molecular-weight gelator (LMWG), i.e. overcrowded alkene-based bis-ureas, can be switched effectively between cis and trans isomers using light as demonstrated by H-1 NMR and UV-Vis spectroscopy. Gelation studies reveal that one of the synthesized trans compounds forms stable gels

  20. Cobalt-Catalyzed Bis-alkynylation of Amides via Double C-H Bond Activation.

    Science.gov (United States)

    Landge, Vinod G; Jaiswal, Garima; Balaraman, Ekambaram

    2016-02-19

    The first example of cobalt-catalyzed selective bis-alkynylation of amides via double C-H bond activation with the directing assistance of a removable bidentate auxiliary is reported. The developed alkynylation strategy is simple, efficient, and tolerant of various functional groups including ether, amine, halides, and heterocyclic motifs. The reaction can be scaled up under mild conditions.

  1. A New Copper (I) Complex Based on 4-amino-3, 5-bis (3-pyridyl)-1 ...

    Indian Academy of Sciences (India)

    A New Copper(I) Complex Based on 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole: Synthesis, Crystal Structure, Theoretical Study, Thermal Behavior and Luminescence. CHEN AI-HUA MENG SU-CI ZHOU KAI WANG CONG-CONG ZHAO WEI WANG AI-JIAN QIAN JUN. Regular Article Volume 129 Issue 2 February 2017 pp ...

  2. Synthesis and characterization of anti-bisFe(III) porphyrins, syn-bisFe(III)-mu-oxo porphyrin, and syn-bisFe(III)-mu-oxo porphyrin cation radical.

    Science.gov (United States)

    Ghosh, Sudip Kumar; Patra, Ranjan; Rath, Sankar Prasad

    2010-04-05

    BisFe(III) porphyrins bridged by a highly flexible ethane linker are reported in which the bisporphyrin platform "opens" and "closes" its binding pockets leading to facile syn-anti conformational switching with very high vertical flexibility in a single molecular framework. With axial ligand X (X: Cl, Br, I, ClO(4)), the anti-forms of the molecule are stabilized. The X-ray structure of anti bis perchloratoFe(III)porphyrin is reported, and the molecule is found to be high-spin in nature. In sharp contrast, all other Fe(III) porphyrins with ClO(4) as axial ligands are in an either intermediate or admixed spin state. The very strong Fe-OClO(3) bond and relatively weaker Fe-N(p) bonds are responsible for the high-spin nature of the molecule. Upon treatment with base, bis Fe(III)-mu-oxo porphyrin is generated in which the Fe-O-Fe unit is remarkably bent (with a 147.9(1) degrees angle) and two porphyrin rings in a molecule are so close that at least six carbon atoms from each of the porphyrin macrocycles are driven to be essentially closer than the van der Waals contact distance. Upon manipulating the acidity/basicity of the solution, the facile syn-anti conformational switching takes place that is also reversible in nature. The complex catalyzes the rapid photoinduced oxygenation of phosphites under mild condition using aerial O(2). Electrochemical data reveals that bis Fe(III)-mu-oxo porphyrin undergoes four one electron oxidations and one electron reduction. However, oxidations become easier in syn Fe(III)-mu-oxo dimer rather than the anti-form of the molecule (with axial ligand X). The presence of two porphyrin macrocycles within a short distance in the syn form makes the porphyrin core highly nonplanar and more electron rich, and that might be responsible for easier oxidations compared to [Fe(OEP)](2)O. Oxidations of the mu-oxo complex are performed using both chemical and electrochemical methods. The addition of 1.00 mol equiv of iodine-silver perchlorate generates

  3. Defining the Electronic and Geometric Structure of One-Electron Oxidized Copper–Bis-phenoxide Complexes

    Science.gov (United States)

    Storr, Tim; Verma, Pratik; Pratt, Russell C.; Wasinger, Erik C.; Shimazaki, Yuichi; Stack, T. Daniel P.

    2009-01-01

    The geometric and electronic structure of an oxidized Cu complex ([CuSal]+; Sal = N, N′-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexane-(1R,2R)-diamine) with a non-innocent salen ligand has been investigated both in the solid state and in solution. Integration of information from UV–vis–NIR spectroscopy, magnetic susceptibility, electrochemistry, resonance Raman spectroscopy, X-ray crystallography, X-ray absorption spectroscopy, and density functional theory calculations provides critical insights into the nature of the localization/delocalization of the oxidation locus. In contrast to the analogous Ni derivative [NiSal]+ (Storr, T.; et al. Angew. Chem., Int. Ed. 2007, 46, 5198), which exists solely in the Ni(II) ligand-radical form, the locus of oxidation is metal-based for [CuSal]+, affording exclusively a Cu(III) species in the solid state (4–300 K). Variable-temperature solution studies suggest that [CuSal]+ exists in a reversible spin-equilibrium between a ligand-radical species [Cu(II)Sal•]+ (S = 1) and the high-valent metal form [Cu(III)Sal]+ (S = 0), indicative of nearly isoenergetic species. It is surprising that a bis-imine–bis-phenolate ligation stabilizes the Cu(III) oxidation state, and even more surprising that in solution a spin equilibrium occurs without a change in coordination number. The oxidized tetrahydrosalen analogue [CuSalred]+ (Salred = N, N′-bis(3,5-di-tert-butylhydroxybenzyl)-1,2-cyclohexane-(1R,2R)-diamine) exists as a temperature-invariant Cu(II)–ligand-radical complex in solution, demonstrating that ostensibly simple variations of the ligand structure affect the locus of oxidation in Cu–bis-phenoxide complexes. PMID:18939830

  4. Defining the Electronic And Geometric Structure of One-Electron Oxidized Copper-Bis-Phenoxide Complexes

    Energy Technology Data Exchange (ETDEWEB)

    Storr, T.; Verma, P.; Pratt, R.C.; Wasinger, E.C.; Shimazaki, Y.; Stack, T.D.P.

    2009-05-26

    The geometric and electronic structure of an oxidized Cu complex ([CuSal](+); Sal = N,N'-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexane-(1R,2R)-diamine) with a non-innocent salen ligand has been investigated both in the solid state and in solution. Integration of information from UV-vis-NIR spectroscopy, magnetic susceptibility, electrochemistry, resonance Raman spectroscopy, X-ray crystallography, X-ray absorption spectroscopy, and density functional theory calculations provides critical insights into the nature of the localization/delocalization of the oxidation locus. In contrast to the analogous Ni derivative [NiSal](+) (Storr, T.; et al. Angew. Chem., Int. Ed. 2007, 46, 5198), which exists solely in the Ni(II) ligand-radical form, the locus of oxidation is metal-based for [CuSal](+), affording exclusively a Cu(III) species in the solid state (4-300 K). Variable-temperature solution studies suggest that [CuSal](+) exists in a reversible spin-equilibrium between a ligand-radical species [Cu(II)Sal(*)](+) (S = 1) and the high-valent metal form [Cu(III)Sal](+) (S = 0), indicative of nearly isoenergetic species. It is surprising that a bis-imine-bis-phenolate ligation stabilizes the Cu(III) oxidation state, and even more surprising that in solution a spin equilibrium occurs without a change in coordination number. The oxidized tetrahydrosalen analogue [CuSal(red)](+) (Sal(red) = N,N'-bis(3,5-di- tert-butylhydroxybenzyl)-1,2-cyclohexane-(1R,2R)-diamine) exists as a temperature-invariant Cu(II)-ligand-radical complex in solution, demonstrating that ostensibly simple variations of the ligand structure affect the locus of oxidation in Cu-bis-phenoxide complexes.

  5. Defining the electronic and geometric structure of one-electron oxidized copper-bis-phenoxide complexes.

    Science.gov (United States)

    Storr, Tim; Verma, Pratik; Pratt, Russell C; Wasinger, Erik C; Shimazaki, Yuichi; Stack, T Daniel P

    2008-11-19

    The geometric and electronic structure of an oxidized Cu complex ([CuSal](+); Sal = N,N'-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexane-(1R,2R)-diamine) with a non-innocent salen ligand has been investigated both in the solid state and in solution. Integration of information from UV-vis-NIR spectroscopy, magnetic susceptibility, electrochemistry, resonance Raman spectroscopy, X-ray crystallography, X-ray absorption spectroscopy, and density functional theory calculations provides critical insights into the nature of the localization/delocalization of the oxidation locus. In contrast to the analogous Ni derivative [NiSal](+) (Storr, T.; et al. Angew. Chem., Int. Ed. 2007, 46, 5198), which exists solely in the Ni(II) ligand-radical form, the locus of oxidation is metal-based for [CuSal](+), affording exclusively a Cu(III) species in the solid state (4-300 K). Variable-temperature solution studies suggest that [CuSal](+) exists in a reversible spin-equilibrium between a ligand-radical species [Cu(II)Sal(*)](+) (S = 1) and the high-valent metal form [Cu(III)Sal](+) (S = 0), indicative of nearly isoenergetic species. It is surprising that a bis-imine-bis-phenolate ligation stabilizes the Cu(III) oxidation state, and even more surprising that in solution a spin equilibrium occurs without a change in coordination number. The oxidized tetrahydrosalen analogue [CuSal(red)](+) (Sal(red) = N,N'-bis(3,5-di- tert-butylhydroxybenzyl)-1,2-cyclohexane-(1R,2R)-diamine) exists as a temperature-invariant Cu(II)-ligand-radical complex in solution, demonstrating that ostensibly simple variations of the ligand structure affect the locus of oxidation in Cu-bis-phenoxide complexes.

  6. Developmental defects of coronary vasculature in rat embryos administered bis-diamine.

    Science.gov (United States)

    Hanato, Takashi; Nakagawa, Masao; Okamoto, Nobuhiko; Nishijima, Setsuko; Fujino, Hidetoshi; Shimada, Morimi; Takeuchi, Yoshihiro; Imanaka-Yoshida, Kyoko

    2011-02-01

    Conotruncal anomalies are often associated with abnormal coronary arteries. Although bis-diamine is known to induce conotruncal defects, its pathological effects on coronary vascular development have not been demonstrated. This study sought to assess the teratogenic effects of bis-diamine on coronary vascular development and the pathogenesis of this anomalous association. A single 200 mg dose of bis-diamine was administered to pregnant Wistar rats at 10.5 days of gestation. Fifty-two embryos from 10 mother rats underwent morphological analysis of the coronary arteries. Three embryos each were removed from four mothers on embryonic days (ED) 14.5, 15.5, 16.5, and 17.5 and used for immunohistochemical studies using the anti-vascular cell adhesion molecule (VCAM)-1 antibody. Conotruncal anomalies were detected in 48 of 52 embryos, and an aplastic or hypoplastic left coronary artery was found in all of them. In control embryos at ED 16.5, VCAM-1-positive epicardial cells were transformed into mesenchymal cells in vascular plexus, which appeared to differentiate into the endothelial cells of coronary vasculature. In the heart at ED 17.5, coronary vasculature was well developed and connected with coronary ostia near the aorta. However, poor epicardial-mesenchymal transformation and subsequent differentiation was revealed in bis-diamine-treated embryos at EDs 16.5 and 17.5, causing abnormal development of the coronary vasculature and incomplete connections with coronary ostia of the aorta. Anomalous coronary arteries in the bis-diamine-treated embryos are induced by the disruption of epicardial-mesenchymal transformation and subsequent poor development of coronary vasculature. Incomplete hatching of the coronary ostium is associated with abnormal truncal division. © 2010 Wiley-Liss, Inc.

  7. Psychometric Properties of the BIS/BAS Scales and the SPSRQ in Flemish Adolescents

    Directory of Open Access Journals (Sweden)

    Laura Vandeweghe

    2016-12-01

    Full Text Available Objective: Gray’s Reinforcement Sensitivity Theory (RST is a frequently used model of personality that is relevant to the period of adolescence. However, the psychometric properties of the most frequently used questionnaires to measure the RST-constructs, namely the Behavioural Inhibition System and Behavioural Activation System Scales (BIS/BAS Scales and the Sensitivity to Punishment and Sensitivity to Reward Questionnaire (SPSRQ, are rarely examined in samples of adolescents. Therefore, the goal of the present study was to examine the two-factor structure, reliability and convergent validity of the BIS/BAS Scales and SPSRQ in a Flemish adolescent community sample.  Method: A sample of 579 adolescents (39.5% boys; 14–19 years was recruited. The proposed two-factor structure was assessed using Exploratory Structural Equation Modeling. Reliability was evaluated using internal consistency and construct validity was examined with the correlations between the two questionnaires and with the Temperament and Character Inventory–short form (TCI-SF.  Results: After the removal of problematic items, and the addition of correlated errors, all indices indicated a good fit for the two-factor structure of the modified BIS/BAS Scales. For the modified SPSRQ, three fit indices indicated a good model fit, while a fourth fit index was slightly below the cut-off score of an adequate model fit. Internal consistency of both questionnaires was sufficient. In general, the associations with scales of the TCI-SF were as expected, with positive correlations between BIS-related scales, and between BAS-related scales of all three instruments.  Discussion: In Flemish adolescents, the use of a two-factor model to analyze data gathered with the modified BIS/BAS Scales or modified SPSRQ seems appropriate.

  8. Expression and purification of the modification-dependent restriction enzyme BisI and its homologous enzymes.

    Science.gov (United States)

    Xu, Shuang-Yong; Klein, Pernelle; Degtyarev, Sergey Kh; Roberts, Richard J

    2016-06-29

    The methylation-dependent restriction endonuclease (REase) BisI (G(m5)C ↓ NGC) is found in Bacillus subtilis T30. We expressed and purified the BisI endonuclease and 34 BisI homologs identified in bacterial genomes. 23 of these BisI homologs are active based on digestion of (m5)C-modified substrates. Two major specificities were found among these BisI family enzymes: Group I enzymes cut GCNGC containing two to four (m5)C in the two strands, or hemi-methylated sites containing two (m5)C in one strand; Group II enzymes only cut GCNGC sites containing three to four (m5)C, while one enzyme requires all four cytosines to be modified for cleavage. Another homolog, Esp638I cleaves GCS ↓ SGC (relaxed specificity RCN ↓ NGY, containing at least four (m5)C). Two BisI homologs show degenerate specificity cleaving unmodified DNA. Many homologs are small proteins ranging from 150 to 190 amino acid (aa) residues, but some homologs associated with mobile genetic elements are larger and contain an extra C-terminal domain. More than 156 BisI homologs are found in >60 bacterial genera, indicating that these enzymes are widespread in bacteria. They may play an important biological function in restricting pre-modified phage DNA.

  9. Effect of Annealing Temperature on Flowerlike Cu3BiS3 Thin Films Grown by Chemical Bath Deposition

    Science.gov (United States)

    Deshmukh, S. G.; Patel, S. J.; Patel, K. K.; Panchal, A. K.; Kheraj, Vipul

    2017-10-01

    For widespread application of thin-film photovoltaic solar cells, synthesis of inexpensive absorber material is essential. In this work, deposition of ternary Cu3BiS3 absorber material, which contains abundant and environmentally benign elements, was carried out on glass substrate. Flowerlike Cu3BiS3 thin films with nanoflakes as building block were formed on glass substrate by chemical bath deposition. These films were annealed at 573 K and 673 K in sulfur ambient for structural improvement. Their structure was characterized using Raman spectroscopy, as well as their surface morphological and optical properties. The x-ray diffraction profile of as-deposited Cu3BiS3 thin film revealed amorphous structure, which transformed to orthorhombic phase after annealing. The Raman spectrum exhibited a characteristic peak at 290 cm-1. Scanning electron microscopy of as-deposited Cu3BiS3 film confirmed formation of nanoflowers with diameter of around 1052 nm. Wettability testing of as-deposited Cu3BiS3 thin film demonstrated hydrophobic nature, which became hydrophilic after annealing. The measured ultraviolet-visible (UV-Vis) absorption spectra of the Cu3BiS3 thin films gave an absorption coefficient of 105 cm-1 and direct optical bandgap of about 1.42 eV after annealing treatment. Based on all these results, such Cu3BiS3 material may have potential applications in the photovoltaic field as an absorber layer.

  10. Synthesis, characterization, and reactivity of furan- and thiophene-functionalized bis(n-heterocyclic carbene) complexes of iron(II)

    KAUST Repository

    Rieb, Julia

    2014-09-15

    The synthesis of iron(II) complexes bearing new heteroatom-functionalized methylene-bridged bis(N-heterocyclic carbene) ligands is reported. All complexes are characterized by single-crystal X-ray diffraction (SC-XRD), nuclear magnetic resonance (NMR) spectroscopy, and elemental analysis. Tetrakis(acetonitrile)-cis-[bis(o-imidazol-2-ylidenefuran)methane]iron(II) hexafluorophosphate (2a) and tetrakis(acetonitrile)-cis-[bis(o-imidazol-2-ylidenethiophene)methane]iron(II) hexafluorophosphate (2b) were obtained by aminolysis of [Fe{N(SiMe3)2}2(THF)] with furan- and thiophene-functionalized bis(imidazolium) salts 1a and 1b in acetonitrile. The SC-XRD structures of 2a and 2b show coordination of the bis(carbene) ligand in a bidentate fashion instead of a possible tetradentate coordination. The four other coordination sites of these distorted octahedral complexes are occupied by acetonitrile ligands. Crystallization of 2a in an acetone solution by the slow diffusion of Et2O led to the formation of cisdiacetonitriledi[ bis(o-imidazol-2-ylidenefuran)methane]iron(II) hexafluorophosphate (3a) with two bis(carbene) ligands coordinated in a bidentate manner and two cis-positioned acetonitrile molecules. Compounds 2a and 2b are the first reported iron(II) carbene complexes with four coordination sites occupied by solvent molecules, and it was demonstrated that those solvent ligands can undergo ligand-exchange reactions.

  11. Radiation planning in small complex lesions and experimental verification; Bestrahlungsplanung bei kleinen komplex-geformten Laesionen und ihre experimentelle Verifikation

    Energy Technology Data Exchange (ETDEWEB)

    Jess-Hempen, A.; Wowra, B.; Mack, A. [Neurochirurgische Praxis Priv.-Doz. Dr. Berndt Wowra, Muenchen (Germany); Kreiner, H.J.; Heck, B. [GKS GmbH, Muenchen (Germany)

    2003-07-01

    The Gamma Knife is used as a sterotactic tool for the conformal treatment of very small, complex-shape cranial lesions. The combination of planning software and treatment equipment enables a highly-precise conformal dose distribution and positioning. The purpose of the present study was to experimentally verify the precision actually achievable in case of extremely irregular, small target volumes. For this purpose, a complete treatment procedure was performed using a standard head phantom complemented with a specially developed insert that simulates an L-shaped lesion. The spatial precision of the irradiation was recorded by means of high-resolution film dosimetry using GafChromic{sup TM} films. The analysis of the films showed for the film in the center plane an excellent conformity of the 75% isodose line used to circumscribe the lesion. A very good agreement between planning and measurement resulted also for isodose lines residing outside of the target volume. (orig.) [German] Das Gamma Knife wird als stereotaktische Bestrahlungseinrichtung benutzt, um kleine, komplex-geformte Laesionen im Gehirn konformal zu behandeln. Dabei ermoeglicht sowohl das Behandlungsgeraet als auch die zugehoerige Planungssoftware Einstellungen und Bestrahlungen mit hoher Genauigkeit. Ziel der Arbeit ist es, die tatsaechlich erreichbare Genauigkeit bei extrem irregulaeren, kleinen Zielvolumina experimentell festzustellen. Hierzu wird mit einem Phantom, in dessen Inneren ein speziell entwickelter Einsatz ein L-foermiges Zielvolumen darstellt, die der Patientenbehandlung entsprechende standardisierte Prozedur durchgefuehrt. Die raeumliche Genauigkeit der Bestrahlung wird mit Hilfe der hochaufloesenden Filmdosimetrie mit GafChromic{sup TM}-Filmen dokumentiert. Die Analyse der Filme ergibt fuer den Film in der Mittelebene eine exzellente Konformitaet der zur Umschreibung des Zielvolumens in der Planung benutzten 75%-Isodosenkurve. Auch fuer die ausserhalb des Zielvolumens liegenden Isodosenkurven besteht eine sehr gute Uebereinstimmung zwischen Planung und Messung.

  12. The basic helix-loop-helix transcription factor BIS2 is essential for monoterpenoid indole alkaloid production in the medicinal plant Catharanthus roseus.

    Science.gov (United States)

    Van Moerkercke, Alex; Steensma, Priscille; Gariboldi, Ivo; Espoz, Javiera; Purnama, Purin C; Schweizer, Fabian; Miettinen, Karel; Vanden Bossche, Robin; De Clercq, Rebecca; Memelink, Johan; Goossens, Alain

    2016-10-01

    Monoterpenoid indole alkaloids (MIAs) are produced as plant defence compounds. In the medicinal plant Catharanthus roseus, they comprise the anticancer compounds vinblastine and vincristine. The iridoid (monoterpenoid) pathway forms one of the two branches that feed MIA biosynthesis and its activation is regulated by the transcription factor (TF) basic helix-loop-helix (bHLH) iridoid synthesis 1 (BIS1). Here, we describe the identification and characterisation of BIS2, a jasmonate (JA)-responsive bHLH TF expressed preferentially in internal phloem-associated parenchyma cells, which transactivates promoters of iridoid biosynthesis genes and can homodimerise or form heterodimers with BIS1. Stable overexpression of BIS2 in C. roseus suspension cells and transient ectopic expression of BIS2 in C. roseus petal limbs resulted in increased transcript accumulation of methylerythritol-4-phosphate and iridoid pathway genes, but not of other MIA genes or triterpenoid genes. Transcript profiling also indicated that BIS2 expression is part of an amplification loop, as it is induced by overexpression of either BIS1 or BIS2. Accordingly, silencing of BIS2 in C. roseus suspension cells completely abolished the JA-induced upregulation of the iridoid pathway genes and subsequent MIA accumulation, despite the presence of induced BIS1, indicating that BIS2 is essential for MIA production in C. roseus. © 2016 The Authors The Plant Journal © 2016 John Wiley & Sons Ltd.

  13. Comprehensive and Facile Synthesis of Some Functionalized Bis-Heterocyclic Compounds Containing a Thieno[2,3-b]thiophene Motif

    Science.gov (United States)

    Mabkhot, Yahia N.; Barakat, Assem; Al-Majid, Abdullah M.; Alshahrani, Saeed A.

    2012-01-01

    A comprehensive and facile method for the synthesis of new functionalized bis-heterocyclic compounds containing a thieno[2,3-b]thiophene motif is described. The hitherto unknown bis-pyrazolothieno[2,3-b]thiophene derivatives 2a–c, bis-pyridazin othieno[2,3-b]thiophene derivatives 4, bis-pyridinothieno[2,3-b]thiophene derivatives 6a,b, and to an analogous bis-pyridinothieno[2,3-b]thiophene nitrile derivatives 7 are obtained. Additionally, the novel bis-pyradazinonothieno[2,3-b]thiophene derivatives 9, and nicotinic acid derivatives 10, 11 are obtained via bis-dienamide 8. The structures of all newly synthesized compounds have been elucidated by 1H, 13C NMR, GCMS, and IR spectrometry. These compounds represent a new class of sulfur and Nitrogen containing heterocycles that should also be of interest as new materials. PMID:22408452

  14. Assignment of the Charge-Transfer Excited States of Bis(N-Heterocyclic) Complexes of Copper(I)

    Science.gov (United States)

    1989-03-21

    Excited States of Bis (N-Heterocyclic) Complexes of Copper ( I) 12 PERSONAL AUTHOR(S( W. L. Parker and G. A. Crosby 3a 7YPE OF REPORT i b ’!ME COVERED ~ aDATE...Assignment of the Charge-Transfer Excited States of Bis (N-Heterocyclic) Complexes of Copper (I) by W. L. Parker and G. A. Crosby Prepared for Publication in...IHmited. Assignment of the Charge-Transfer Excited States of Bis (N-Heterocycl ic) Complexes of Copper (I) W. L. Parker and G. A. Crosby* Chemical

  15. Design, Synthesis, Characterization and Electrochemical Properties of BODIPY Dyes Containing Mono, Bis-2-Naphthyloxyhexyloxy and 4-(Benzyloxy)Phenoxyhexyloxy Groups.

    Science.gov (United States)

    Biyiklioglu, Zekeriya; Keleş, Turgut

    2016-11-01

    In this study, the synthesis of boron dipyrromethene dyes containing mono, bis-2-naphthyloxyhexyloxy and 4-(benzyloxy)phenoxyhexyloxy groups has been reported. Boron dipyrromethene dyes were synthesized from the mono, bis-benzaldehyde derivatives with 2,4-dimethylpyrrole in dichloromethane in the presence of trifluoroacetic, 2,3-dichloro-5,6-dicyano-p-benzoquinon, triethyl amine and boron trifluoride diethyl etherate, respectively. Electrochemical characterization of boron dipyrromethene dyes were carried out with voltammetric measurements. Electrochemical studies show that boron dipyrromethene dyes containing mono, bis-2-naphthyloxyhexyloxy and 4-(benzyloxy)phenoxyhexyloxy groups have reversible one reduction potentials unlike irreversible one oxidation potentials. Graphical Abstract ᅟ.

  16. Novel topologies in vanadium-bis-ß-diketone chemistry: a [V4] and a [V6] metallacyclophane

    OpenAIRE

    Borilovic, Ivana; Roubeau, Olivier; Vidal, Irene Fernández; Teat, Simon; Aromí, Guillem

    2015-01-01

    Exploring the chemistry of vanadyl ions (VO2+) with bis-β-diketone ligands, in pyridine reactions of vanadyl sulfate with 1,3-bis-(3-oxo-3-(2-hydroxyphenyl)-propionyl)- benzene (H4L1) and 1,3-bis-(3-oxo-3-(2-hydroxyphenyl)-propionyl)-pyridine (H4L2), two novel clusters, [(VIVO)4(H2L1)4(py)4] (1) and [(VVO)4(VIVO)2 (O)4(L2)2(py)6] (2) were prepared and characterized. Due to the conformational flexibility of the ligands, both entities exhibit very peculiar metal topologies and composit...

  17. Mechanistic, genomic and proteomic study on the effects of BisGMA-derived biodegradation product on cariogenic bacteria.

    Science.gov (United States)

    Sadeghinejad, Lida; Cvitkovitch, Dennis G; Siqueira, Walter L; Merritt, Justin; Santerre, J Paul; Finer, Yoav

    2017-02-01

    Investigate the effects of a Bis-phenyl-glycidyl-dimethacrylate (BisGMA) biodegradation product, bishydroxypropoxyphenyl-propane (BisHPPP), on gene expression and protein synthesis of cariogenic bacteria. Quantitative real-time polymerase chain reaction was used to investigate the effects of BisHPPP on the expression of specific virulence-associated genes, i.e. gtfB, gtfC, gbpB, comC, comD, comE and atpH in Streptococcus mutans UA159. Possible mechanisms for bacterial response to BisHPPP were explored using gene knock-out and associated complemented strains of the signal peptide encoding gene, comC. The effects of BisHPPP on global gene and protein expression was analyzed using microarray and quantitative proteomics. The role of BisHPPP in glucosyltransferase (GTF) enzyme activity of S. mutans biofilms was also measured. BisHPPP (0.01, 0.1mM) up-regulated gtfB/C, gbpB, comCDE, and atpH most pronounced in biofilms at cariogenic pH (5.5). The effects of BisHPPP on the constructed knock-out and complemented strains of comC from quorum-sensing system, implicated this signaling pathway in up-regulation of the virulence-associated genes. Microarray and proteomics identified BisHPPP-regulated genes and proteins involved in biofilm formation, carbohydrate transport, acid tolerance and stress-response. GTF activity was higher in BisHPPP-exposed biofilms when compared to no-BisHPPP conditions. These findings provide insight into the genetic and physiological pathways and mechanisms that help explain S. mutans adaptation to restorative conditions that are conducive to increased secondary caries around resin composite restorations and may provide guidance to clinicians' decision on the selection of dental materials when considering the long term oral health of patients and the interactions of composite resins with oral bacteria. Copyright © 2016 The Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

  18. BOOK REVIEW: Meilensteine der Astronomie - Von Aristoteles bis Hawking

    Science.gov (United States)

    Duerbeck, H. W.; Hamel, J.

    2006-12-01

    A writer, more specific a writer on the history of astronomy, might from time to time look at the collected document folders with all the research material and reprints, and might wonder: has this been all? Especially at a time when recycling is in vogue? And, perhaps with a request or an invitation to submit something, he or she might consider re-using the material before its definitive disposal. Well, such are my feelings when I looked at Jurgen Hamel's new book Milestones of Astronomy - From Aristoteles to Hawking . A slight chance for survival of medium-sized publishers like Kosmos is to offer popular books, and a title must attract potential buyers: Aristoteles means the "old" times, and as concerns the "mad scientist" of modern times, Stephen Hawking has by now dethroned Einstein. In 1998, Hamel had published a Geschichte der Astronomie - Von den Anfangen bis zur Gegenwart (History of astronomy, from the beginnings to the present), which, of course, he could not simply copy. This time, he selected some stones from his research areas - milestones, touchstones, stumbling blocks in the long road of astronomical evolution - and put them between the covers of his new book. So let us look at these (mile)stones . The reader is informed about Aristoteles on 2 pages, but his medieval interpreter Johannes de Sacrobosco gets 8 pages! Copernicus' life and achievements are described on 9 pages, closely followed by his devotee and translator Rothmann with 8 pages; Copernicus' contemporary, Peter Apian, however, gets about 13! Bessel's and Herschel's lifes and works are described on well-deserved 13 and 15 pages, while the achievements of the two Lucasian professors, Isaac Newton and Stephen Hawking, are just outlined in a single paragraph! Thus, importance is sometimes inversely proportional to text length... But let us become serious now. Why should an active historian outline, for the hundreth time, the life of Copernicus, while there are so many interesting, and often

  19. BIS-11A -Hindi version: A preliminary study of impulsivity in rural and urban Indian adolescents.

    Science.gov (United States)

    Singh, Paramjeet; Solanki, R K; Bhatnagar, P S

    2008-04-01

    Despite of there being a pressing need to gauge impulsivity scores, there is no behavioral instrument in India to assess the impulsivity in adolescents. No earlier studies have been done in India to access impulsivity in adolescents. Even in western countries, no study has been done in rural setting to access impulsivity, although segment of rural population is small in western nations with major population residing in urban areas. To translate BIS-11A into Hindi from English in a culturally sensitive manner and to do preliminary study in rural and urban areas. First translation of BIS-11 (as it is meant for adults) and cultural substitution resulted in Hindi adult version. Adolescent version was derived from adult version by replacing adult activities with adolescent activities. BIS-11 English version was translated into Hindi and a back translation was made. As BIS-11 was developed for adults, answering some of the questions poses challenges for adolescents, so to be used with adolescents, questions that do not fit into adolescent age group were substituted keeping in view the activities of adolescents. Besides, questions that were not suitable as per the Indian culture were modified. Initially, these changes were made hypothetically by discussion among the authors and later a group of 48 school students were interviewed about the questions. Based on the interviews of students a final version was prepared. Translation, back translation, cultural substitution -hypothetically, and in school by discussion were carried out. The questionnaire was given to 120 urban high school students (in Jaipur, northern India) and 50 rural students (at Kanota, 25 km from Jaipur, northern India) and the scores were calculated as per the scoring method provided with original BIS-11. T-test (two-tailed, two sample unequal variance, i.e., type 3) was used. T-test (two-tailed, two sample unequal variance, i.e., type 3) found no significant difference between impulsivity scores of

  20. Crystal structure of bis[2,5-bis(pyridin-2-yl-1,3,4-thiadiazole-κ2N2,N3]bis(thiocyanato-κScopper(II

    Directory of Open Access Journals (Sweden)

    Abdelhakim Laachir

    2016-08-01

    Full Text Available The mononuclear title complex, [Cu(SCN2(C12H8N4S2], was obtained by the reaction of 2,5-bis(pyridin-2-yl-1,3,4-thiadiazole and potassium thiocyanate with copper(II chloride dihydrate. The copper cation lies on an inversion centre and displays an elongated octahedral coordination geometry. The equatorial positions are occupied by the N atoms of two 2,5-bis(pyridin-2-yl-1,3,4-thiadiazole ligands, whereas the axial positions are occupied by the S atoms of two thiocyanate anions. The thiadiazole and the pyridyl rings linked to the metal are approximately coplanar, with a maximum deviation from the mean plane of 0.190 (2 Å. The cohesion of the crystal structure is ensured by weak C—H...N hydrogen bonds and π–π interactions between parallel pyridyl rings of neighbouring molecules [centroid-to-centroid distance = 3.663 (2 Å], leading to a three-dimensional network.

  1. (μ-Acetato-κ2O:O′[μ-2,6-bis({bis[(pyridin-2-yl-κNmethyl]amino-κN}methyl-4-methylphenolato-κ2O:O](methanol-κOdizinc bis(perchlorate

    Directory of Open Access Journals (Sweden)

    Biswanath Das

    2014-04-01

    Full Text Available The binuclear title complex, [Zn2(C33H33N6O(CH3COO2(CH3OH](ClO42, was synthesized by the reaction between 2,6-bis({[bis(pyridin-2-ylmethyl]amino}methyl-4-methylphenol (H-BPMP, Zn(OAc2 and NaClO4. The two ZnII ions are bridged by the phenolate O atom of the octadentate ligand and the acetate group. An additional methanol ligand is terminally coordinated to one of the ZnII ions, rendering the whole structure unsymmetric. Other symmetric dizinc complexes of BPMP have been reported. However, to the best of our knowledge, the present structure, in which the two ZnII ions are distinguishable by the number of coordinating ligands and the coordination geometries (octahedral and square-pyramidal, is unique. The dizinc complex is a dication, and two perchlorate anions balance the charge. The –OH group of the coordinating methanol solvent molecule forms a hydrogen bond with a perchlorate counter-anion. One of the anions is disordered over two sets of sites with an occupancy ratio of 0.734 (2:0.266 (2.

  2. Poly[bis[chloridocopper(I]-μ4-1,4-bis[1-(3-pyridylmethyl-1H-benzimidazol-2-yl]butane

    Directory of Open Access Journals (Sweden)

    Jian-Fang Ma

    2008-05-01

    Full Text Available The title CuI coordination polymer, [Cu2Cl2(C30H28N6]n, was obtained by reaction of CuCl2·2H2O and 1,4-bis[1-(3-pyridylmethyl-1H-benzimidazol-2-yl]butane. Each CuI cation is three-coordinated by a ClN2 donor set. The anion acts as a tetradentate ligand, linking CuI centres into a polymeric chain.

  3. Synthesis, molecular docking and biological evaluation of bis-pyrimidine Schiff base derivatives.

    Science.gov (United States)

    Kumar, Sanjiv; Lim, Siong Meng; Ramasamy, Kalavathy; Vasudevan, Mani; Shah, Syed Adnan Ali; Selvaraj, Manikandan; Narasimhan, Balasubramanian

    2017-09-18

    Heterocyclic pyrimidine nucleus, which is an essential base component of the genetic material of deoxyribonucleic acid, demonstrated various biological activities. A series of bis-pyrimidine Schiff bases were synthesized and screened for its antimicrobial and anticancer potentials. The molecular docking study was carried to find the interaction between active molecules with receptor. The structures of synthesized bis-pyrimidine Schiff bases were confirmed by spectral studies. The synthesized bis-pyrimidine derivatives were evaluated for their antimicrobial activity (MIC = µmol/mL) against selected Gram positive; Gram negative bacterial and fungal strains by tube dilution method. The anticancer activity (IC50 = µmol/mL) of the synthesized compounds was determined against human colorectal carcinoma (HCT116) cancer cell line by Sulforhodamine B (SRB) assay. Molecular docking studies provided information regarding the binding mode of active bis-pyrimidine Schiff bases with the cyclin-dependent kinase 8 (CDK8) receptor. The antimicrobial screening results indicated that compounds, q1 (MICbs = 0.83 µmol/mL), q16 (MICan = 1.54 µmol/mL and MICec = 0.77 µmol/mL), q1 and q19 (MICca = 0.41 µmol/mL) and q20 (MIC = 0.36 µmol/mL) are the most active ones. Compounds q1 (IC50 = 0.18 µmol/mL) have emerged as potent anticancer molecule against human colorectal carcinoma cancer cell line than the reference drug, 5-fluorouracil. Molecular docking studies indicated that compound q1 (the most active molecule) has the maximum hydrogen bond interaction (four) and π-π stacking (three) network among the bis-pyrimidine Schiff bases. Graphical abstract Graphical illustration of predicted binding mode of bis-pyrimidine Schiff bases in the active site of CDK8. a. Compound 1 (magenta color), b. Compound 5 (green color), c. Compound 8 (red color), d. Compound 13 (split pea color).

  4. Review: Holger Stoecker: Afrikawissenschaften in Berlin von 1919 bis 1945. Zur Geschichte und Topographie eines wissenschaftlichen Netzwerkes (2008 Buchbesprechung: Holger Stoecker: Afrikawissenschaften in Berlin von 1919 bis 1945. Zur Geschichte und Topographie eines wissenschaftlichen Netzwerkes

    Directory of Open Access Journals (Sweden)

    Katrin Bromber

    2009-05-01

    Full Text Available Review of the monograph: Holger Stoecker: Afrikawissenschaften in Berlin von 1919 bis 1945. Zur Geschichte und Topographie eines wissenschaftlichen Netzwerkes, Stuttgart: Franz Steiner Verlag 2008, ISBN 978-3-515-09161-9, 359 pages. Besprechung der Monographie: Holger Stoecker: Afrikawissenschaften in Berlin von 1919 bis 1945. Zur Geschichte und Topographie eines wissenschaftlichen Netzwerkes, Stuttgart: Franz Steiner Verlag 2008, ISBN 978-3-515-09161-9, 359 Seiten.

  5. Acute Effects of Peripheral Injection of Bis-2-Chloro-ethyl sulfide on the Serum Proteins Content in Rat

    Directory of Open Access Journals (Sweden)

    DURDI QUJEQ

    1999-08-01

    Full Text Available Bis-2-chloroethyl sulfide or sulfur mustard an alkylating agent after absorption through skin may enter the blood circulation and interacts with different molecules in the body. Pulmonary complication, ocular lesions, enzyme disorders and other toxic effects of sulfur mustard in the body has already been reported. Rats were injected with sub-lethal doses of Bis-2-chloroethyl sulfide intraperitoneally and at different intervals serum was collected. The effect of Bis-2-chloroethyl sulfide on the relative proportion of th^ serum proteins was investigated using electrophoresis. Our results showed that peripheral injection of Bis-2-chloroethyl sulfide had effects on the aIpha-2-globulin and gamma-globulin content.

  6. Synthesis and biological activities of novel amine-derived bis-azoles as potential antibacterial and antifungal agents.

    Science.gov (United States)

    Fang, Bo; Zhou, Cheng-He; Rao, Xian-Cai

    2010-09-01

    A series of novel amine-derived bis-azole compounds were designed by the systematical structural modification of Fluconazole and synthesized by a convenient and efficient method, and the antimicrobial activities for all prepared compounds were evaluated in vitro against six representative bacterial strains and two fungal strains. Bioactive results indicated that some synthesized compounds exhibited moderate or even better activities in comparison with the reference drugs. Especially, bis-imidazole 5b and its salts gave significant antibacterial efficacy against all tested bacteria strains including MRSA, while bis-triazoles 4b-c and their corresponding salts exhibited better activities against Candida albicans, Bacillus proteus than standard drugs Fluconazole and Norfloxacin respectively. Unexpectedly, bis-bromides 3a-f presented excellent activities against all tested microbial strains. 2010 Elsevier Masson SAS. All rights reserved.

  7. Organonickel(II) complexes with anionic tridentate 1, 3-bis(azolylmethyl)phenyl ligands. synthesis, structural characterization and catalytic behavior

    Energy Technology Data Exchange (ETDEWEB)

    Hurtado, John; Rojas, Rene; Valderrama, Mauricio, E-mail: jmvalder@puc.cl [Departamento de Quimica Inorganica, Facultad de Quimica, Pontificia Universidad Catolica de Chile, Santiago (Chile); Ibanez, Andres [Centro para la Investigacion Interdisciplinaria Avanzada en Ciencia de los Materiales (CIMAT), Santiago (Chile); Froehlich, Roland [Organisch Chemisches Institut der Universitaet Muenster, Muenster (Germany)

    2011-09-15

    The reaction of 2-bromo-1,3-bis(bromomethyl)benzene with 3,5-dimethylpyrazole and {sup 1}H-indazole yields the tridentate ligands 2-bromo-1,3-bis(3,5-dimethylpirazol-1-ylmethyl)benzene (1) and 2-bromo-1,3-bis(indazol-2-ylmethyl)benzene (2). These compounds react with [Ni(cod)2] in tetrahydrofuran (thf) to form the oxidative addition complexes [NiBr{l_brace}1,3-bis(azolylmethyl)phenyl-N,C,N{r_brace}], azol 3,5-dimethylpyrazol (3), indazol (4), which were isolated in good yields as stable yellow solids and characterized by elemental analysis, Fourier-transform infrared spectroscopy (FTIR), mass spectroscopy and nuclear magnetic resonance (NMR). In addition, the molecular structures of 2 and 4 were determined by single-crystal X-ray diffraction analysis. Complex 4 was tested as a catalyst in ethylene polymerization reaction. (author)

  8. The Properties of N,N‧-bis(propionyl) cystamine-acrylamide/Nanowhiskers of Cellulose (CNWs) Composite Hydrogel

    Science.gov (United States)

    Duan, Jiufang; Gao, Yuxue

    2017-11-01

    Dithiothreitol was employed as a responsive agent for disulfide bond in N,N’-bis (propionyl) cystamine in N,N’-bis(propionyl) cystamine – acrylamide/CNWs composite hydrogel. This hydrogel was obtained by mixing a queous solutions of CNWs, N,N’-bis(propionyl) cystamine and acrylamide at room temperature. The internal morphology, and crystalline performance of the hydrogels were characterized by scanning electronmicroscopy(SEM) and X-ray diffraction. The scanning electronmicroscopy(SEM) showed that the hydrogel has aporous structure. X–ray diffraction patterns confirmed that N,N’-bis(propionyl) cystamine – acrylamide /CNWs composite hydrogel has amorphous structure. The water swelling ratio reaches to the highest value at 0.067g/ml CNWs concentration.

  9. Introduction effects of three electron-withdrawing groups into bis-styrylbenzene skeleton on photoelectric and photophysical properties

    Science.gov (United States)

    Mochizuki, Hiroyuki

    2017-02-01

    I synthesized three bis-styrylbenzene derivatives substituted with typical electron-withdrawing groups: E,E-1,4-bis(4-trifluoromethystyryl)benzene (CF3), E,E-1,4-bis(4-cyanostyryl)benzene (CN), and E,E-1,4-bis(4-nitrostyryl)benzene (NO2). The photophysical and photoelectrical properties of these compounds were evaluated in detail. In free molecules in the solution, the intramolecular charge transfer interaction appeared in NO2. In the solid state of CN, the intermolecular charge transfer interaction was observed in its fluorescence spectrum. On the other hand, CF3 did not show intra- and intermolecular charge transfer interactions in either the solid or solution state. The ionization potentials of CF3, CN, and NO2 were -6.52, -6.09, and -6.38 eV, respectively, suggesting that the trifluoromethyl group was most effective for decreasing ionization potentials.

  10. [Prehn, Ulrich. Max Hildebert Boehm. Radikales Ordnungsdenken vom Ersten Weltkrieg bis in die Bundesrepublik] / Karsten Brüggemann

    Index Scriptorium Estoniae

    Brüggemann, Karsten, 1965-

    2015-01-01

    Arvustus: Prehn, Ulrich. Max Hildebert Boehm. Radikales Ordnungsdenken vom Ersten Weltkrieg bis in die Bundesrepublik (Hamburger Beiträge zur Sozizl- und Zeitgeschichte, 51). Wallstein Verlag. Göttingen 2013

  11. Synthesis of palladium(0) and -(II) complexes with chelating bis(N-heterocyclic carbene) ligands and their application in semihydrogenation

    OpenAIRE

    Sluijter, S.N.; Warsink, S.; Lutz, M.; Elsevier, C.J.

    2013-01-01

    A transmetallation route, using silver(I) precursors, to several zero-and di-valent palladium complexes with chelating bis(N-heterocyclic carbene) ligands bearing various N-substituents has been established. The resulting complexes have been characterized by NMR and mass spectroscopy. In addition, the structure of a representative compound, [Pd-0(bis-(Mes)NHC)(eta(2)-ma)] (3a), was confirmed by X-ray crystal structure determination. In contrast to the transfer semihydrogenation, in which only...

  12. Reactivity Studies of 2,6-Bis-(1,2,3-triazolyl)purine Nucleosides with Hydrazines and Amino Acids

    OpenAIRE

    Laķis, E; Novosjolova, I; Bizdēna, Ē; Turks, M

    2014-01-01

    Reactions of 2,6-bis-(1,2,3-triazolyl)purine nucleosides with nucleophiles is efficient route to C(6)-derivatization of purine base. To extend the field of application of the method, we studied reactivity of bis-(1,2,3-triazolyl)purine derivatives toward hydrazines and amino acids and obtained nucleosides substituted at C(6) with hydrazine and amino acid moieties.

  13. Synthesis of Some New bis-Schiff Bases of Isatin and 5-Fluoroisatin in a Water Suspension Medium

    Directory of Open Access Journals (Sweden)

    D. Khalili

    2006-01-01

    Full Text Available Condensation of aromatic primary bis-amines with isatin (1H-indole-2,3-dione and 5-flouroisatin occurred cleanly and efficiently in a water suspension mediumwithout using any organic solvent or acid catalyst. The corresponding bis-Schiff baseswere obtained in good yields and were easily isolated by filtration. Their structures wereconfirmed by 1H-NMR, 13C-NMR, IR and mass spectra.

  14. Bis-spirochromanones as potent inhibitors of Mycobacterium tuberculosis: synthesis and biological evaluation.

    Science.gov (United States)

    Dongamanti, Ashok; Aamate, Vikas Kumar; Devulapally, Mohan Gandhi; Gundu, Srinivas; Balabadra, Saikrishna; Manga, Vijjulatha; Yogeeswari, Perumal; Sriram, Dharmarajan; Balasubramanian, Sridhar

    2017-11-01

    On the basis of reported antimycobacterial property of chroman-4-one pharmacophore, a series of chemically modified bis-spirochromanones were synthesized starting from 2-hydroxyacetophenone and 1,4-dioxaspiro[4.5] decan-8-one using a Kabbe condensation approach. The synthesized bis-spirochromanones were established based on their spectral data and X-ray crystal structure of 6e. All synthesized compounds were evaluated against Mycobacterium tuberculosis H37Rv (ATCC 27294) strain, finding that some products exhibited good antimycobacterial activity with minimum inhibitory concentration as low as [Formula: see text]. Docking studies were carried out to identify the binding interactions of compounds II, 6a and 6n with FtsZ. Compounds exhibiting good in vitro potency in the MTB MIC assay were further evaluated for toxicity using the HEK cell line.

  15. Marine Natural Product Bis-indole Alkaloid Caulerpin: Chemistry and Biology.

    Science.gov (United States)

    Lunagariya, Jignesh; Bhadja, Poonam; Zhong, Shenghui; Vekariya, Rohit; Xu, Shihai

    2017-09-27

    Marine bis-indole alkaloids comprise a large and increasingly growing class of secondary metabolites, and continue to deliver a great variety of structural templates. The alkaloids derived from marine resources play a crucial role in medicinal chemistry and as chemical agents. In particular, bis-indole alkaloid caulerpin isolated from marine green algae Caulerpa and a red algae Chondria armata at various places around the world, and tested against several therapeutic areas such as anti-diabetic, antinociceptive, anti-inflammatory, anti-tumor, anti-larvicidal, anti-herpes, anti-tubercular, anti-microbial and immunostimulating activity as well as means of other chemical agents. Herein, we summarized discovery of caulerpin, and its potential medicinal and chemical applications in chronological order with various aspects. Additionally, synthesis of caulerpin, its functional analogues, and structural isomer have also been reviewed. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  16. Triethylene glycol bis(2-ethylhexanoate) - a new contact allergen identified in a spectacle frame

    DEFF Research Database (Denmark)

    Andersen, Klaus Ejner; Vestergaard, M. E.; Christensen, Lars Porskjær

    2014-01-01

    Background. Allergic reactions to spectacle frames are not unusual. A patient had a reproducible strong allergic patch test reaction to scrapings from the plastic material, and negative patch test results with available spectacle frame chemicals. Objectives. To identify the culprit allergen...... in this patient's spectacle frame. Materials and methods. An extract from the temple arms was analysed by gas chromatography mass spectrometry (GC-MS), and a major low molecular weight compound was detected. This compound was isolated by semi-preparative high-performance liquid chromatography and identified by GC...... bis(2-ethylhexanoate) was the causative allergen in the spectacle frame. Ten consecutive eczema patients tested as controls were negative. Conclusion. Triethylene glycol bis(2-ethylhexanoate) is a new, hitherto unreported contact allergen....

  17. Synthesis and antimicrobial evaluation of novel bis-β-lactam grafted macrocycles.

    Science.gov (United States)

    Arumugam, Natarajan; Almansour, Abdulrahman I; Kumar, Raju Suresh; Rajesh, Raju; Periyasami, Govindasami; Raghunathan, Raghavachary

    2014-01-01

    A series of macrocyclic bis-β-lactams has been synthesized in three good yielding steps using a Staudinger [2+2] cycloaddition reaction of ketene derived from phenoxyacetyl chloride as the key step. The reaction provided a diastereomeric mixture of cis-anti-cis (C2-symmetry) and cis-syn-cis (meso) bis-β-lactam grafted macrocycles which were screened for their in vitro antibacterial and antifungal activities against four human pathogenic bacteria and two pathogenic fungi. Compounds 6a and 6b exhibited antibacterial activity at lower concentration against four bacterial pathogens and compounds 10b and 12a showed antifungal activity against two fungal pathogens when compared to reference control.

  18. Mechanism of photoluminescence quenching in thin films of N,N'-bis(3-methylphenyl-N,N'-bis(phenylbenzidine irradiated by UV light in air

    Directory of Open Access Journals (Sweden)

    Tomović Aleksandar Ž.

    2015-01-01

    Full Text Available The mechanism of photoluminescence (PL quenching of thin amorphous N,N'-bis(3-methylphenyl- N,N'-bis(phenylbenzidine (TPD films exposed to UV light in air is studied. TPD is small organic molecule widely used in production of organic light emmiting devices (OLEDs. Photoluminescence of TPD films decays exponentially with time of irradiation, i.e. with the increase of concentration of impurities (photo-oxidized TPD molecules generated by UV irradiation in air. Intensity of PL decreases to half of its original value when the concentration of impurities reaches 0.4%. Average distance between impurities (acceptors is almost an order of magnitude larger than average distance between host TPD molecules (donors. Direct long range Forster energy transfer is ruled out as the mechanism of PL quenching, as the overlap between donor and acceptor is lacking, and exciton self-diffusion in TPD films is postulated for the mechanism. The presence of oxidation products is confirmed by infrared (IR spectroscopy. Vibrational spectra of TPD molecule and few other possible products of photo-oxidation of TPD molecule, obtained by density functional theory, are compared to experimental IR spectra.

  19. Microwave irradiated synthesis and characterization of 1, 4-phenylene bis-oxazoline form bis-(2-hydroxyethyl terephthalamide obtained by depolymerization of poly (ethylene terephthalate (PET bottle wastes

    Directory of Open Access Journals (Sweden)

    Yogesh S. Parab

    2012-04-01

    Full Text Available The aminolytic depolymerization of PET bottle waste with ethanolamine by conventional heating and microwave irradiation heating method was attempted with heterogeneous, recyclable acid catalysts such as beta zeolite (SiO2/ AlO2= 15 Na- form and montmorillonite KSF. The pure product bis-(2-hydroxyethyl terephthalamide (BHETA of aminolysis was obtained in good yield (85- 88%. The BHETA, thus obtained, was subjected to cyclization reaction by heating with polyphosphoric acid as well as by chlorination (using phosphoryl chloride, bromination (using red phosphorous and liquid bromine and nitration (conc. HNO3 + conc. H2SO4 followed by conventional and microwave irradiation heating in N,N- dimethyl formamide/ potassium carbonate solution. The product so obtained was 2, 2’-(1,4-phenylene–bis-(2-oxazoline (PBO, which has applications in polymer synthesis as a chain extender/ chain coupling agent or a cross linker. The productswere analyzed by FTIR, DSC, Mass and NMR (1H and 13C NMR.

  20. [N,N′-Bis(2,6-diisopropylphenylmethanimidamidato][η8-1,4-bis(trimethylsilylcyclooctatetraenyl](tetrahydrofuransamarium(III toluene monosolvate

    Directory of Open Access Journals (Sweden)

    Anja Edelmann

    2010-12-01

    Full Text Available The title compound, [Sm(C25H35N2(C14H24Si2(C4H8O]·C7H8, was prepared by treatment of anhydrous samarium trichloride with a 1:1 mixture of in situ-prepared Li(DippForm [DippFormH = N,N′-bis(2,6-diisopropylphenylmethanimidamide] and Li2(COT′′ [COT′′ = 1,4-bis(trimethylsilylcyclooctatetraenyl] in tetrahydrofuran (THF. Despite the presence of two very bulky ligands (COT′′ and DippForm, the molecule still contains one coordinated THF ligand. The overall coordination geometry around the SmIII atom resembles a three-legged piano-stool with the COT′′ ligand being η8-coordinated and the DippForm− anion acting as an N,N′-chelating ligand [Sm—N = 2.5555 (15 and 2.4699 (15 Å]. The asymmetric unit also contains a disordered molecule of toluene, the refined ratio of the two components being 0.80 (4:0.20 (4.

  1. Impregnation of chelating agent 3,3-bis-N,N bis-(carboxymethylaminomethyl-o-cresolsulfonephthalein in biopolymer chitosan: adsorption equilibrium of Cu(II in aqueous medium

    Directory of Open Access Journals (Sweden)

    Luciano Vitali

    2006-06-01

    Full Text Available The aim of this study was to impregnate the chelating agent 3,3-bis-N,N,bis-(carboxymethylaminomethyl-o-cresolsulfonephthalein in chitosan and to investigate the adsorption of Cu(II ions. The chemical modification was confirmed by FTIR spectrometry, thermogravimetric analysis (TGA and energy dispersive x-ray spectroscopy (EDX. The adsorption studies were carried out with Cu(II ions in a batch process and were shown to be dependent on pH. The adsorption kinetics was tested using three models: pseudo first-order, pseudo second order and intraparticle diffusion. The experimental kinetics data were best fitted with the pseudo second-order model (R² = 0.999, which provided a rate constant, k2, of 1.21 x 10-3 g mg-1 min-1. The adsorption rate depended on the concentration of Cu(II ions on the adsorbent surface and on the quantity of Cu(II ions adsorbed at equilibrium. The Langmuir isotherm model provided the best fit for the equilibrium data in the concentration range investigated, with the maximum adsorption capacity being 81.0 mg of Cu(II per gram of adsorbent, as obtained from the linear equation of the isotherm. Desorption tests revealed that around 90% of the adsorbed metal was removed, using EDTA solution as the eluent. This result suggests that the polymeric matrix can be reused.

  2. Asymmetric Synthesis of Amino-Bis-Pyrazolone Derivatives via an Organocatalytic Mannich Reaction

    OpenAIRE

    Chauhan, Pankaj; Mahajan, Suruchi; Kaya, Uğur; Peuronen, Anssi; Rissanen, Kari; Enders, Dieter

    2017-01-01

    A new series of N-Boc ketimines derived from pyrazolin-5-ones have been used as electrophiles in asymmetric Mannich reactions with pyrazolones. The amino-bis-pyrazolone products are obtained in excellent yields and stereoselectivities by employing a very low loading of 1 mol % of a bifunctional squaramide organocatalyst. Depending on the substitution at position 4 of the pyrazolones, the new protocol allows for the generation of one or two tetrasubstituted stereocenters, including a one-pot v...

  3. BIS-11A -Hindi version: A preliminary study of impulsivity in rural and urban Indian adolescents

    OpenAIRE

    Singh, Paramjeet; Solanki, R.K.; Bhatnagar, P. S.

    2008-01-01

    Context: Despite of there being a pressing need to gauge impulsivity scores, there is no behavioral instrument in India to assess the impulsivity in adolescents. No earlier studies have been done in India to access impulsivity in adolescents. Even in western countries, no study has been done in rural setting to access impulsivity, although segment of rural population is small in western nations with major population residing in urban areas. Aims: To translate BIS-11A into Hindi from English i...

  4. Synthesis and Theoretical Study of a New Type of Pentacyclic bis-Benzothiazolium Compound

    Directory of Open Access Journals (Sweden)

    Radovan Buffa

    2002-07-01

    Full Text Available The synthesis of a new type of pentacyclic benzothiazolium compound -6,13-dihydropyrazino[2,1-b:5,4-b´]bis(1,3-benzothiazole-7,14-diiumdibromide (2, is reported. Compound 2 was prepared by dimerization of 2-(bromomethylbenzothiazole. Quantum chemical calculation studies have been carried out on the structures of possible isomers of 2, as well as the products of its deprotonation reactions.

  5. Assemblies of copper bis(triazole) coordination polymers using the same keggin polyoxometalate template.

    Science.gov (United States)

    Tian, Ai-xiang; Ying, Jun; Peng, Jun; Sha, Jing-quan; Pang, Hai-jun; Zhang, Peng-peng; Chen, Yuan; Zhu, Min; Su, Zhong-min

    2009-01-05

    Four inorganic-organic hybrid compounds, [Cu(I)(4)(bte)(4)(SiW(12)O(40))] (1), [Cu(II)(2)(bte)(4)(SiW(12)O(40))].4H(2)O (2) [bte = 1,2-bis(1,2,4-triazol-1-yl)ethane], [Cu(I)(4)(btb)(2)(SiW(12)O(40))].2H(2)O (3), and [Cu(II)(2)(btb)(4)(SiW(12)O(40))].2H(2)O (4) [btb = 1,4-bis(1,2,4-triazol-1-yl)butane], were hydrothermally synthesized through use of the same Keggin polyoxometalate as the template and tuning the molar ratio of the bis(triazole) ligand to the Cu(II) ion. The ratio of the bis(triazole) ligand to Cu(II) has a crucial influence on the structures of this series. Single-crystal X-ray diffraction analyses indicate that compound 1 is constructed by tetranuclear ring-connecting chains and polymerized [Cu(bte)](+) chains, between which SiW(12) anions are inserted to form a three-dimensional (3D) structure. Compound 2 shows a (4(4).6(2)) two-dimensional grid sheet. The discrete SiW(12) anions are sandwiched by the sheets, just like "hamburgers". Compound 3 presents channel-like [Cu(2)(btb)](2+) polymerized chains, which are further connected by SiW(12) anions to construct a 3D framework. Compound 4 exhibits a (6(6)) 3D Cu-btb framework with hexagonal channels, into which the tetradentate SiW(12) anions are incorporated. The thermal stabilities of the compounds are discussed.

  6. Kurz- bis mittelfristige Ergebnisse der Druckscheibenendoprothese in der Behandlung der Femurkopfnekrose

    OpenAIRE

    Käsemann, Bertram

    2007-01-01

    In der vorliegenden klinischen Studie wurden 45 implantierte Druckscheibenendoprothesen von 39 Patienten, die ab dem Stadium ARCO II an einer Femurkopfnekrose erkrankt waren, zwischen Mai 1994 bis April 1999 beobachtet. Die mittlere Nachuntersuchungszeit belief sich, bei einer Spanne von 2-57 Monaten, auf 21,2 Monaten. Das durchschnittliche Follow-up betrug 3,1 Jahre. Im Vorfeld der Untersuchung erfolgte eine eigene Einteilung der Osteonekroseausbreitung im Stadium I-IV der röntgologischen- u...

  7. Large third-order optical nonlinearity of the organic metal α-[bis(ethylenedithio)tetrathiofulvalene] triiodide

    OpenAIRE

    Huggard, Peter G.; Blau, Werner; Schweitzer, Dieter

    1987-01-01

    The organic metal α-[bis(ethylenedithio) tetrathiofulvalene]2I3 shows a large third-order optical nonlinearity around 650 nm, as observed by forward degenerate four-wave mixing. Nonlinear susceptibilities of |χ(3)| ∼5×10-8 esu are observed along the direction of maximum conductivity. The frequency dispersion of the nonlinearity points to a plasma effect due to the conduction electrons.

  8. [1,1′-Bis(diphenylphosphanylferrocene-κ2P,P′]dichloridocadmium(II dichloromethane disolvate

    Directory of Open Access Journals (Sweden)

    Chengchen Zhu

    2010-12-01

    Full Text Available In the title complex, [CdFe(C17H14P2Cl2]·2CH2Cl2, the CdII atom has a distorted tetrahedral coordination geometry by two chloride anions and two P atoms of 1,1′-bis(diphenylphosphanylferrocene. In the crystal, complex molecules are linked into a three-dimensional network by C—H...Cl hydrogen bonds involving the dichloromethane solvent molecules.

  9. Ambient-temperature superconductor symetrical metal-dihalide bis-(ethylenedithio)-tetrathiafulvalene compounds

    Science.gov (United States)

    Williams, Jack M.; Wang, Hsien-Hau; Beno, Mark A.

    1987-01-01

    A new class of organic superconductors having the formula (ET).sub.2 MX.sub.2 wherein ET represents bis(ethylenedithio)-tetrathiafulvalene, M is a metal such as Au, Ag, In, Tl, Rb, Pd and the like and X is a halide. The superconductor (ET).sub.2 AuI.sub.2 exhibits a transition temperature of 5 K. which is high for organic superconductors.

  10. Crystal Structure of N,N-bis-(3-Carbomethoxy-5-methyl-pyrazol-1-ylmethylaniline

    Directory of Open Access Journals (Sweden)

    Taibi Ben-Hadda

    2002-09-01

    Full Text Available The tripodal ligand N,N-bis-(3-carbomethoxy-5-methylpyrazol-1-ylmethyl aniline (2 has been prepared by the condensation of aniline with two equivalents of N-hydroxymethyl[3-carbomethoxy-5-methyl]pyrazole. The molecule consists of two structurally analogous 3-carbomethoxy-5-methylpyrazol-1-ylmethyl moieties, which adopt a transoidal conformation via a central aniline ring, suggesting that this tripodal ligand is highly flexible and could accommodate many metals by coordination.

  11. HyBIS - a low cost, multi-purpose, modular vehicle for detailed ocean mapping

    Science.gov (United States)

    Huehnerbach, V.; Murton, B.; Berndt, C.; Garrard, J.; Wollatz-Vogt, M.; Wetzel, G.; Matthiessen, T.

    2013-12-01

    HyBIS is a low-cost, multi-purpose, highly maneuverable, fibre-optic controlled survey and sampling robotic underwater vehicle (RUV) capable of diving to 6000m. Built in the UK by Hydro-Lek Ltd. in collaboration with the National Oceanography Centre, Southampton, it has proven itself during recent discoveries of the deepest hydrothermal vents in the world, at 5100m deep in the Cayman Trough in the Caribbean and habitat mapping of seamounts in the Atlantic and Indian oceans . The vehicle has a modular design, with the top module being a command and power system that comprises power management, cameras, lights, hydraulics, thrusters and telemetry. The lower module can alternatively be a clam-shell sampling grab, a manipulator-arm and tool sled, a winch for instrument recovery, or an ocean bottom seismometer deployment module. Unlike a conventional ROV, HyBIS does not have any floatation, rather it is suspended by its umbilical cable directly from the ship. The advantage of direct suspension is that HyBIS can recover or deploy a payload of up to 700kg, although this comes at the price of reduced maneuverability compared to a 'normal' ROV. During its four years of service, HyBIS has, so far, accumulated an impressive list of achievements: recording over 450 hours of HD video footage, thousands of HD still images, collected geological, biological samples, as well as fluids and gas from over 40 different sites. It has also recovered two different seabed landers containing scientific equipment worth over £300k, and placed Ocean Bottom Seismometers onto the seafloor.

  12. Competitive solvation of (bis)(trifluoromethanesulfonyl)imide anion by acetonitrile and water

    DEFF Research Database (Denmark)

    Chaban, Vitaly

    2014-01-01

    Competitive solvation of an ion by two or more solvents is one of the key phenomena determining the identity of our world. Solvation in polar solvents frequently originates from non-additive non-covalent interactions. Pre-parametrized potentials poorly capture these interactions, unless the force...... and temperature coupling. Using a competitive solvation of (bis)(trifluoromethanesulfonyl)imide anion in acetonitrile and water, the work demonstrates efficiency and robustness of PM7-MD. (C) 2014 Elsevier B.V. All rights reserved....

  13. Bis-phosphonium salts of pyridoxine: the relationship between structure and antibacterial activity.

    Science.gov (United States)

    Pugachev, Mikhail V; Shtyrlin, Nikita V; Sapozhnikov, Sergey V; Sysoeva, Lubov P; Iksanova, Alfiya G; Nikitina, Elena V; Musin, Rashid Z; Lodochnikova, Olga A; Berdnikov, Eugeny A; Shtyrlin, Yurii G

    2013-12-01

    A series of 23 novel bis-phosphonium salts based on pyridoxine were synthesized and their antibacterial activities were evaluated in vitro. All compounds were inactive against gram-negative bacteria and exhibited the structure-dependent activity against gram-positive bacteria. The antibacterial activity enhanced with the increase in chain length at acetal carbon atom in the order n-Pr>Et>Me. Further increasing of length and branching of alkyl chain leads to the reduction of antibacterial activity. Replacement of the phenyl substituents at the phosphorus atoms in 5,6-bis(triphenylphosphonio(methyl))-2,2,8-trimethyl-4H-[1,3]-dioxino[4,5-c]pyridine dichloride (compound 1) with n-butyl, m-tolyl or p-tolyl as well as chloride anions in the compound 1 with bromides (compound 14a) increased the activity against Staphylococcus aureus and Staphylococcus epidermidis up to 5 times (MICs=1-1.25 μg/ml). But in practically all cases chemical modifications of compound 1 led to the increase of its toxicity for HEK-293 cells. The only exception is compound 5,6-bis[tributylphosphonio(methyl)]-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine dichloride (10a) which demonstrated lower MIC values against S. aureus and S. epidermidis (1 μg/ml) and lower cytotoxicity on HEK-293 cells (CC(50)=200 μg/ml). Compound 10a had no significant mutagenic and genotoxic effects and was selected for further evaluation. It should be noted that all bis-phosphonium salt based on pyridoxine were much more toxic than vancomycin. Copyright © 2013 Elsevier Ltd. All rights reserved.

  14. Modeling the vibrational spectrum of 4,4'-diphenylmethane- bis(methyl)carbamate

    Science.gov (United States)

    Shundalau, M. B.; Pitsevich, G. A.; Ksenofontov, M. A.; Umreiko, D. S.

    2010-07-01

    We present results of ab initio calculations of the structure and vibrational IR spectrum for 4,4'-diphenylmethane-bis(methyl)carbamate (DPMC). Calculations were carried out in the HF/6-311G approximation with subsequent force-field scaling. The calculated characteristics of the vibrational spectrum of DPMC show satisfactory agreement with experimental values, which permits them to be used in spectral and structural analysis

  15. A new bis-seco-abietane diterpenoid from Hyptis crenata Pohl ex Benth.

    Science.gov (United States)

    Yun, Young Sook; Fukaya, Haruhiko; Nakane, Takahisa; Takano, Akihito; Takahashi, Shigeru; Takahashi, Yuji; Inoue, Hideshi

    2014-12-05

    A new, highly oxidized, bis-seco-abietane diterpenoid named hyptisolide A (1) was isolated from Hyptis crenata Pohl ex Benth. Its structure and stereochemistry were elucidated on the basis of data obtained by HRESIMS, NMR, and X-ray diffraction analyses, and its absolute configuration was determined with vibrational circular dichroism spectroscopy. By reporter gene assay, 1 was demonstrated to induce cAMP-responsive element-dependent transcription in Neuro2A cells.

  16. 1,1′-{(Hexane-1,6-diylbis[(azaniumylylidenemethanylylidene]}bis(naphthalen-2-olate

    Directory of Open Access Journals (Sweden)

    Kamel Ouari

    2015-01-01

    Full Text Available The whole molecule of the title Schiff base compound, C28H28N2O2, is generated by inversion symmetry. It is formed from two units of ortho-hydroxynaphthaldehyde bridged with 1,6-diaminohexane. The N atoms are protonated and, thus, the structure is a bis-zwitterionic compound in the solid state. The zwitterion shows strong intramolecular N—H...O hydrogen bonds between the iminium N and the naphthalenolate O atoms.

  17. Structure and dynamics of ionic liquids: Trimethylsilylpropyl-substituted cations and bis(sulfonyl)amide anions.

    Science.gov (United States)

    Wu, Boning; Yamashita, Yuki; Endo, Takatsugu; Takahashi, Kenji; Castner, Edward W

    2016-12-28

    Ionic liquids with cationic organosilicon groups have been shown to have a number of useful properties, including reduced viscosities relative to the homologous cations with hydrocarbon substituents on the cations. We report structural and dynamical properties of four ionic liquids having a trimethylsilylpropyl functional group, including 1-methyl-3-trimethylsilylpropylimidazolium (Si-C3-mim(+)) cation paired with three anions: bis(fluorosulfonyl)imide (FSI(-)), bis(trifluoromethanesulfonyl)imide (NTf2(-)), and bis(pentafluoroethanesulfonyl)imide (BETI(-)), as well as the analogous N-methyl-N-trimethylsilylpropylpyrrolidinium (Si-C3-pyrr(+)) cation paired with NTf2(-). This choice of ionic liquids permits us to systematically study how increasing the size and hydrophobicity of the anions affects the structural and transport properties of the liquid. Structure factors for the ionic liquids were measured using high energy X-ray diffraction and calculated from molecular dynamics simulations. The liquid structure factors reveal first sharp diffraction peaks (FSDPs) for each of the four ionic liquids studied. Interestingly, the domain size for Si-C3-mim(+)/NTf2(-) indicated by the maxima for these peaks is larger than for the more polar ionic liquid with a similar chain length, 1-pentamethyldisiloxymethyl-3-methyl-imidazolium bis(trifluoromethanesulfonyl)imide (SiOSi-mim(+)/NTf2(-)). For the series of Si-C3-mim(+) ionic liquids, as the size of the anion increases, the position of FSDP indicates that the intermediate range order domains decrease in size, contrary to expectation. Diffusivities for the anions and cations are compared for a series of both hydrocarbon-substituted and silicon-substituted cations. All of the anions show the same scaling with temperature, size, and viscosity, while the cations show two distinct trends-one for hydrocarbon-substituted cations and another for organosilicon-substituted cations, with the latter displaying increased friction.

  18. Bis-intercalation of homodimeric thiazole orange dye derivatives in DNA.

    Science.gov (United States)

    Petersen, M; Hamed, A A; Pedersen, E B; Jacobsen, J P

    1999-01-01

    The thiazole orange dye 1,1'-(4,4,8,8-tetramethyl-4, 8-diazaundecamethylene)-bis-4-[(3-methyl-2,3-dihydro-2(3H)-benzo-1 ,3-thiazolylidene)methyl]quinolinium tetraiodide (TOTO) binds to double-stranded DNA (dsDNA) in a sequence selective bis-intercalation. We have examined the binding of derivatives of TOTO with different substituents on the benzothiazole ring. The analogues are the following: 1,1'-(4,4,8,8-tetramethyl-4, 8-diazaundecamethylene)-[4-[3-(benzyl-2, 3-dihydro-2-(3H)-benzothiazolylidene)methyl]quinolinium]-[4-[3-(++ +methy l-2, 3-dihydro-2-(3H)-benzothiazolylidene)methyl]quinolinium]tetraio dide (TOTOBzl) and 1,1'-(4,4,8,8-tetramethyl-4, 8-diazaundecamethylene)-bis-4-[(3-ethyl-2,3-dihydro-2(3H)-benzo-1, 3-thiazole)methyl]quinolinium tetraiodide (TOTOEt). In this paper, we report the synthesis of TOTOBzl and TOTOEt together with the one- and two-dimensional 1H NMR investigations of complexes between these TOTO analogues and the dsDNA oligonucleotide d(CGCTAGCG)2. Both analogues yield extremely stable complexes in which each chromophore is sandwiched between two base pairs in a (5'-CpT-3'):(5'-ApG-3') site. The linker spans over two base pairs in the minor groove. The benzyl group in TOTOBzl and the ethyl groups in TOTOEt is pointing outward in the major groove.

  19. Affinity chromatography reveals RuBisCO as an ecdysteroid-binding protein.

    Science.gov (United States)

    Uhlik, Ondrej; Kamlar, Marek; Kohout, Ladislav; Jezek, Rudolf; Harmatha, Juraj; Macek, Tomas

    2008-12-22

    The aim of this work was to isolate plant ecdysteroid-binding proteins using affinity chromatography. Ecdysteroids as insect hormones have been investigated thoroughly but their function and the mechanism of action in plants and other organisms is still unknown although ecdysteroids occur in some plants in a relatively large amount. Therefore, 20-hydroxyecdysone was immobilized on a polymeric carrier as a ligand for affinity chromatography in order to isolate plant ecdysteroid-binding proteins from the cytosolic extract of New Zealand spinach (Tetragonia tetragonoides). Non-specifically bound proteins were eluted with a rising gradient of concentration of sodium chloride, and 3% (v/v) acetic acid was used for the elution of the specifically bound proteins. Using this method, ribulose 1,5-bisphosphate carboxylase/oxygenase (RuBisCO) was isolated. The influence of ecdysteroids on RuBisCO was further studied. Our results show that ecdysteroids are able to increase the yield of RuBisCO-mediated reaction in which CO(2) is fixed into organic matter by more than 10%.

  20. Synthesis and Biological Evaluation of 2,5-Bis(alkylamino-1,4-benzoquinones

    Directory of Open Access Journals (Sweden)

    Cláudia Pessoa

    2010-08-01

    Full Text Available A series of twelve 2,5-bis(alkylamino-1,4-benzoquinones were prepared in yields ranging from 9–58% via the reaction between p-benzoquinone and various amines. The structures of the synthesized compounds were confirmed by IR, 1H- and 13C-NMR and MS analyses. The phytotoxicity of the 2,5-bis(alkylamino-1,4-benzoquinones was evaluated against two crop species, Cucumis sativus and Sorgum bicolor, at 1.0 × 10-3 mol/L. In general, the quinones displayed inhibitory effects on the dicotyledonous species C. sativus (7–74%. On the other hand stimulatory effects were observed on S. bicolor (monocotyledonous. Similar results were observed in the biological assays carried out with the weed species Ipomoea grandifolia (dicotyledonous and Brachiaria decumbens (monocotyledonous. In addition, the cytotoxicity of the 2,5-bis(alkylamino-1,4-benzoquinones was assayed against HL-60 (leukemia, MDA-MB-435 (melanoma, SF-295 (brain and HCT-8 (colon human cancer cell lines and human peripheral blood mononuclear cells (PBMC, as representatives of healthy cells, using a MTT and an Alamar Blue assay. Compound 12 was the most active, displaying cytotoxicity against all cancer cell lines tested.

  1. Synthesis and crystal structures of two new tin bis(carboranylamidinate complexes

    Directory of Open Access Journals (Sweden)

    Nicole Harmgarth

    2017-10-01

    Full Text Available Reaction of 2 equiv. of the lithium carboranylamidinate Li[o-(C2H10B10C(NCy(NHCy] with SnCl2 in THF afforded the stannylene compound bis(N,N′-dicyclohexylamidinatocarboranatetin(II, SnII[o-(C2H10B10C(NCy(NHCy]2 (1. A similar reaction of SnCl4 with 2 equiv. of Li[o-(C2H10B10C(NiPr(NHiPr] unexpectedly afforded the known solvated pentachloridostannate(IV salt [Li(THF4][SnCl5(THF] as the main reaction product. Small amounts of the new chlorido-tin(IV bis(carboranylamidinate bis(N,N′-diisopropylamidinatocarboranatechloridotin(IV, SnIVCl[o-(C2H10B10C(NiPr(NHiPr][o-(C2H10B10C(NiPr2] (2, were isolated as a by-product. Single-crystal X-ray structure analysis revealed a κC,κN-chelating coordination of the carboranylamidinate ligands in both 1 and 2. The Sn atom in 1 adopts a pseudo-trigonal–bipyramidal coordination under participation of a stereoactive lone pair. In 2, a trigonal–bipyramidal coordination of Sn is completed by a chlorido ligand.

  2. Dinuclear metal complexes derived from a bis-chelating heterocyclic ligand

    Directory of Open Access Journals (Sweden)

    Worku Assefa

    2009-08-01

    Full Text Available 4,6-bis-{1-[(4,6-dichloro-[1,3,5]triazine-2-yl-hydrazone]-ethyl-benzene-1,3-diol, C16H12N10O2Cl4 (H2-BDTD, and Co(II, Ni(II, Cu(II and Zn(II complexes derived from its dibasic bis-chelating form (BDTD2- or L2- were prepared in methanol-triethylamine and characterized by MS, NMR, IR, UV-VIS and AA spectroscopic studies. Conductivities, magnetic susceptibility measurements and thermal analyses showed bis-N,N,O donor behavior of L2-. The analytical data indicate that the metal to ligand ratio is 2:1 in all the complexes. The coordination of triethylamine, water and chloride ion are observed in the Co(II, Zn(II and Ni(II complexes. The absence of ionizable or coordinated chloride in Cu(II complex is a notable feature. Octahedral geometry for Co(II, Zn(II and Ni(II and square planar geometry for Cu(II complexes are proposed. The paramagnetic complexes exhibit subnormal magnetic moments at room temperature (RT.

  3. Enantioselective Hydrolysis of Amino Acid Esters Promoted by Bis(β-cyclodextrin) Copper Complexes

    Science.gov (United States)

    Xue, Shan-Shan; Zhao, Meng; Ke, Zhuo-Feng; Cheng, Bei-Chen; Su, Hua; Cao, Qian; Cao, Zhen-Kun; Wang, Jun; Ji, Liang-Nian; Mao, Zong-Wan

    2016-02-01

    It is challenging to create artificial catalysts that approach enzymes with regard to catalytic efficiency and selectivity. The enantioselective catalysis ranks the privileged characteristic of enzymatic transformations. Here, we report two pyridine-linked bis(β-cyclodextrin) (bisCD) copper(II) complexes that enantioselectively hydrolyse chiral esters. Hydrolytic kinetic resolution of three pairs of amino acid ester enantiomers (S1-S3) at neutral pH indicated that the “back-to-back” bisCD complex CuL1 favoured higher catalytic efficiency and more pronounced enantioselectivity than the “face-to-face” complex CuL2. The best enantioselectivity was observed for N-Boc-phenylalanine 4-nitrophenyl ester (S2) enantiomers promoted by CuL1, which exhibited an enantiomer selectivity of 15.7. We observed preferential hydrolysis of L-S2 by CuL1, even in racemic S2, through chiral high-performance liquid chromatography (HPLC). We demonstrated that the enantioselective hydrolysis was related to the cooperative roles of the intramolecular flanking chiral CD cavities with the coordinated copper ion, according to the results of electrospray ionization mass spectrometry (ESI-MS), inhibition experiments, rotating-frame nuclear Overhauser effect spectroscopy (ROESY), and theoretical calculations. Although the catalytic parameters lag behind the level of enzymatic transformation, this study confirms the cooperative effect of the first and second coordination spheres of artificial catalysts in enantioselectivity and provides hints that may guide future explorations of enzyme mimics.

  4. Cytotoxicity, DNA binding and localisation of novel bis-naphthalimidopropyl polyamine derivatives.

    Science.gov (United States)

    Pavlov, V; Kong Thoo Lin, P; Rodilla, V

    2001-07-31

    Bis-naphthalimidopropyl spermidine (BNIPSpd), spermine (BNIPSpm) and oxa-spermine (BNIPOSpm) showed high in vitro cytotoxicity against human breast cancer MCF-7 cells with IC(50) values of 1.38, 2.91 and 8.45 microM, respectively. These compounds were found to effectively displace the intercalating agent ethidium bromide bound to the calf thymus DNA using fluorimetric methods (C(50) 0.08-0.12 microM) and their apparent equilibrium binding constants (K(app)) were calculated to be in the range of 10.5-18 x 10(7) M(-1). Furthermore, strong stabilisation of calf thymus DNA duplex in the presence of bis-naphthalimidopropyl polyamine derivatives (BNIPSpd, BNIPSpm and BNIPOSpm) was observed by UV spectrophotometric analysis (T(m)=93.3-97 degrees C compared with 75 degrees C for calf thymus DNA without drug). Because of their inherent fluorescence, these compounds were localised preferentially inside the nucleus as evidenced by their direct observation under the fluorescence microscope. The results obtained suggest that the cytotoxic activity of the bis-naphthalimidopropyl polyamines may be in part, caused by their effects on DNA.

  5. Triethylene glycol bis(2-ethylhexanoate) - a new contact allergen identified in a spectacle frame.

    Science.gov (United States)

    Andersen, Klaus E; Vestergaard, Malene E; Christensen, Lars P

    2014-02-01

    Allergic reactions to spectacle frames are not unusual. A patient had a reproducible strong allergic patch test reaction to scrapings from the plastic material, and negative patch test results with available spectacle frame chemicals. To identify the culprit allergen in this patient's spectacle frame. An extract from the temple arms was analysed by gas chromatography mass spectrometry (GC-MS), and a major low molecular weight compound was detected. This compound was isolated by semi-preparative high-performance liquid chromatography and identified by GC-MS and nuclear magnetic resonance spectroscopy. The purified compound was diluted in ethanol, and a dilution series was prepared for patch testing. Triethylene glycol bis(2-ethylhexanoate) was identified as the major compound in the extract. Patch testing of the patient proved that triethylene glycol bis(2-ethylhexanoate) was the causative allergen in the spectacle frame. Ten consecutive eczema patients tested as controls were negative. Triethylene glycol bis(2-ethylhexanoate) is a new, hitherto unreported contact allergen. © 2013 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  6. Different Strategies to Bond Bis-GMA-based Resin Cement to Zirconia.

    Science.gov (United States)

    Lopes, Guilherme Carpena; Spohr, Ana Maria; De Souza, Grace M

    To evaluate the effect of different bonding strategies on short- and long-term bis-GMA-based resin cement bond strengths to zirconia. One hundred twenty samples of fully-sintered zirconia (Prettau Zirconia) were sandblasted and randomly distributed into 5 groups (n = 24): UA: Scotchbond Universal Adhesive; SZP: Signum Zirconia Bond I + II; ZPP: Z-Prime Plus; EXP: MZ experimental primer; CO: no primer application (control). After performing these surface treatments, translucent tubes (0.8 mm diameter and 1.0 mm height) were placed on the zirconia specimens, and bis-GMA-based cement (Duo-Link) was injected into them and light cured. Specimens were tested for microshear bond strength either 24 h or 6 months (m) after water storage (37°C) and surfaces were characterized by SEM and EDX. Two-way ANOVA and Tukey's post-hoc test (p zirconia surface. In these groups, EDX demonstrated the presence of phosphorus. Group ZPP resulted in a nonhomogeneous layer, exposing the zirconia substrate underneath. EXP application resulted in an undetectable layer. Water storage did not affect resin cement bond strengths to zirconia irrespective of the surface treatment. Bis-GMA-based resin cement bond strengths to zirconia are affected by specific bonding strategies.

  7. bis-Molybdopterin Guanine Dinucleotide Is Required for Persistence of Mycobacterium tuberculosis in Guinea Pigs

    Science.gov (United States)

    Williams, Monique J.; Shanley, Crystal A.; Zilavy, Andrew; Peixoto, Blas; Manca, Claudia; Kaplan, Gilla; Orme, Ian M.; Mizrahi, Valerie

    2014-01-01

    Mycobacterium tuberculosis is able to synthesize molybdopterin cofactor (MoCo), which is utilized by numerous enzymes that catalyze redox reactions in carbon, nitrogen, and sulfur metabolism. In bacteria, MoCo is further modified through the activity of a guanylyltransferase, MobA, which converts MoCo to bis-molybdopterin guanine dinucleotide (bis-MGD), a form of the cofactor that is required by the dimethylsulfoxide (DMSO) reductase family of enzymes, which includes the nitrate reductase NarGHI. In this study, the functionality of the mobA homolog in M. tuberculosis was confirmed by demonstrating the loss of assimilatory and respiratory nitrate reductase activity in a mobA deletion mutant. This mutant displayed no survival defects in human monocytes or mouse lungs but failed to persist in the lungs of guinea pigs. These results implicate one or more bis-MGD-dependent enzymes in the persistence of M. tuberculosis in guinea pig lungs and underscore the applicability of this animal model for assessing the role of molybdoenzymes in this pathogen. PMID:25404027

  8. bis-Molybdopterin guanine dinucleotide is required for persistence of Mycobacterium tuberculosis in guinea pigs.

    Science.gov (United States)

    Williams, Monique J; Shanley, Crystal A; Zilavy, Andrew; Peixoto, Blas; Manca, Claudia; Kaplan, Gilla; Orme, Ian M; Mizrahi, Valerie; Kana, Bavesh D

    2015-02-01

    Mycobacterium tuberculosis is able to synthesize molybdopterin cofactor (MoCo), which is utilized by numerous enzymes that catalyze redox reactions in carbon, nitrogen, and sulfur metabolism. In bacteria, MoCo is further modified through the activity of a guanylyltransferase, MobA, which converts MoCo to bis-molybdopterin guanine dinucleotide (bis-MGD), a form of the cofactor that is required by the dimethylsulfoxide (DMSO) reductase family of enzymes, which includes the nitrate reductase NarGHI. In this study, the functionality of the mobA homolog in M. tuberculosis was confirmed by demonstrating the loss of assimilatory and respiratory nitrate reductase activity in a mobA deletion mutant. This mutant displayed no survival defects in human monocytes or mouse lungs but failed to persist in the lungs of guinea pigs. These results implicate one or more bis-MGD-dependent enzymes in the persistence of M. tuberculosis in guinea pig lungs and underscore the applicability of this animal model for assessing the role of molybdoenzymes in this pathogen. Copyright © 2015, American Society for Microbiology. All Rights Reserved.

  9. The p-T phase diagram for ferroelectric bis-thiourea pyridinium nitrate

    Energy Technology Data Exchange (ETDEWEB)

    Bilski, P. [Faculty of Physics, A. Mickiewicz University, Umultowska 85, 61-614 Poznan (Poland); Czarnecki, P., E-mail: pczarnec@amu.edu.pl [Faculty of Physics, A. Mickiewicz University, Umultowska 85, 61-614 Poznan (Poland); Lewicki, S.; Wasicki, J. [Faculty of Physics, A. Mickiewicz University, Umultowska 85, 61-614 Poznan (Poland)

    2011-08-15

    Highlights: > Bis-thiourea pyridinium nitrate has been studied at high pressures up to 1 GPa. > p-T phase diagram has been obtained by NMR and dielectric method. > The triple point is observed in p-T diagram. > The continuous phase transition is changed to discontinuous at the pressure 450 Mpa. - Abstract: The effect of temperature and pressure on physical properties of the ferroelectric bis-thiourea pyridinium nitrate inclusion compound has been studied by dielectric spectroscopy and nuclear magnetic resonance (NMR). At ambient pressure the ferroparaelectric phase transition observed at T{sub 2} = 216 K is continuous in contrast to the nonferroelectric phase transition observed at T{sub 1} = 273 K. Under small pressures, the temperatures of the phase transitions T{sub 1} and T{sub 2} increase with increasing pressure. Starting from about 250 MPa, T{sub 1} temperature decreases with increasing pressure, while T{sub 2} temperature increases with increasing pressure. At 450 MPa and 245 K a triple point is observed. Bis-thiourea pyridinium nitrate undergoes a continuous phase transition from the ferroelectric to paraelectric phase under 450 MPa, while above this pressure the phase transition from the ferroelectric to paraelectric phase is discontinuous. The change in the phase transition character is related to the crystallographic change in the group-subgroup relation between the ferro- and paraelectric phases taking place with increasing pressure.

  10. {2,2-Bis[(4S-4-isopropyl-4,5-dihydro-1,3-oxazol-2-yl]propane}bis(N,N-dimethylformamidecopper(II bis[hexafluoridoantimonate(V

    Directory of Open Access Journals (Sweden)

    Martin Hiersemann

    2010-12-01

    Full Text Available In the title compound, [Cu(C15H26N2O2(C3H7NO2][SbF6]2, which is a potential catalyst in the catalytic asymmetric Gosteli–Claisen rearrangement, the central CuII atom is in a nearly square-planar cis-N2O2 environment in the cation arising from its coordination by an N,N-bidentate 2,2-bis[(4S-4-isopropyl-4,5-dihydro-1,3-oxazol-2-yl]propane ligand and two O-bonded N,N-dimethylformamide molecules. Two SbF6− anions are positioned on opposite sides of the plane through the CuN2O2 unit, generating an axially distorted CuN2O2F2 octahedral geometry for the metal ion.

  11. Role of the local structure in superconductivity of LaO0.5F0.5BiS2-x Se x system

    Science.gov (United States)

    Paris, E.; Mizuguchi, Y.; Hacisalihoglu, M. Y.; Hiroi, T.; Joseph, B.; Aquilanti, G.; Miura, O.; Mizokawa, T.; Saini, N. L.

    2017-04-01

    We have studied the local structure of LaO0.5F0.5BiS2-x Se x by Bi L1-edge extended x-ray absorption fine structure (EXAFS). We find a significant effect of Se substitution on the local atomic correlations with a gradual elongation of average in-plane Bi-S bondlength. The associated mean square relative displacement, measuring average local distortions in the BiS2 plane, hardly shows any change for small Se substitution, but decreases significantly for x≥slant 0.6 . The Se substitution appears to suppress the local distortions within the BiS2 plane that may optimize in-plane orbital hybridization and hence the superconductivity. The results suggest that the local structure of the BiS2-layer is one of the key ingredients to control the physical properties of the BiS2-based dichalcogenides.

  12. Vom nützlichen Einzelnen : Machtstrukturen und Intimität in ausgewählten Erzähltexten von 1900 bis 1950 ; eine sozialpsychologische Literaturanalyse zur Individualitätsdarstellung in der Moderne

    OpenAIRE

    Kindermann, Manfred

    2002-01-01

    Die vorliegende Untersuchung geht der literarischen Wissensproduktion zum Individuum im Spannungsfeld von Macht und Intimität nach und zeigt, daß in der erzählenden Literatur der Moderne enthaltenes Wissen dem explizit im wissenschaftlichen Diskurs von Soziologie und Psychologie enthaltenen voranschreitet. Hierzu werden ausgewählte Erzähltexte aus der ersten Hälfte des zwanzigsten Jahrhunderts auf ihren impliziten Wissensgehalt hin befragt und dieser mittels neuerer wissenschaftlicher Theorie...

  13. Effects of BIS076 in a model of osteoarthritis induced by anterior cruciate ligament transection in ovariectomised rats.

    Science.gov (United States)

    Ferrándiz, María Luisa; Terencio, María Carmen; Carceller, María Carmen; Ruhí, Ramón; Dalmau, Pere; Vergés, Josep; Montell, Eulàlia; Torrent, Anna; Alcaraz, María José

    2015-04-17

    Osteoarthritis (OA) is the most frequent articular disease and a leading cause of disability. There is a need for effective treatments able to slow the progression of disease. Some of the available treatments are dietary supplements providing natural components. Recent studies have shown that estrogen deficiency contributes to the pathophysiological events of OA progression. We have used the anterior cruciate ligament transection model of OA in ovariectomised rats to study the effects of BIS076, a new formulation of a natural porcine cartilage extract associated with hydroxyapatite (as a source of calcium) and vitamin D3. Cartilage degradation, proteoglycan depletion and synovitis were followed by histochemistry. Effects on bone microstructure were determined by μCT. The levels of biomarkers in serum and inflammatory mediators in knee homogenates were measured by luminex or ELISA. Oral administration of BIS076 reduced articular cartilage damage and serum levels of cartilage degradation markers C-telopeptide of type II collagen and cartilage oligomeric matrix protein, as well as matrix metalloproteinase-3. The local inflammatory response was down-regulated by BIS076 with lower production of pro-inflammatory cytokines and prostaglandin E2 in joint tissues. In addition, BIS076 was effective on metaphyseal bone alterations as this formulation increased volumetric bone mineral density and improved bone micro-architecture. These effects were related to the modification of bone metabolism reflected by changes in bone biomarkers with reductions in the ratio receptor activator of nuclear factor κB ligand/osteoprotegerin and the levels of tartrate-resistant acid phosphatase-5b, suggesting an inhibitory activity of BIS076 on trabecular bone resorption. We have demonstrated the protective properties of a new formulation (BIS076) on joint lesion and bone alterations in an experimental model of OA in ovariectomised rats. This study supports the interest of BIS076 in OA

  14. Cyclic Bis-porphyrin-Based Flexible Molecular Containers: Controlling Guest Arrangements and Supramolecular Catalysis by Tuning Cavity Size.

    Science.gov (United States)

    Mondal, Pritam; Sarkar, Sabyasachi; Rath, Sankar Prasad

    2017-05-23

    Three cyclic zinc(II) bis-porphyrins (CB) with highly flexible linkers are employed as artificial molecular containers that efficiently encapsulate/coordinate various aromatic aldehydes within their cavities. Interestingly, the arrangements of guests and their reactivity inside the molecular clefts are significantly influenced by the cavity size of the cyclic containers. In the presence of polycyclic aromatic aldehydes, such as 3-formylperylene, as a guest, the cyclic bis-porphyrin host with a smaller cavity (CB1) forms a 1:1 sandwich complex. Upon slightly increasing the spacer length and thereby the cavity size, the cyclic host (CB2) encapsulates two molecules of 3-formylperylene that are also stacked together due to strong π-π interactions between them and CH-π interactions with the porphyrin rings. However, in the cyclic host (CB3) with an even larger cavity, two metal centers of the bis-porphyrin axially coordinate two molecules of 3-formylperylene within its cavity. Different arrangements of guest inside the cyclic bis-porphyrin hosts are investigated by using UV/Vis, ESI-MS, and 1 H NMR spectroscopy, along with X-ray structure determination of the host-guest complexes. Moreover, strong binding of guests within the cyclic bis-porphyrin hosts support the robust nature of the host-guest assemblies in solution. Such preferential binding of the bis-porphyrinic cavity towards aromatic aldehydes through encapsulation/coordination has been employed successfully to catalyze the Knoevenagel condensation of a series of polycyclic aldehydes with active methylene compounds (such as Meldrum's acid and 1, 3-dimethylbarbituric acid) under ambient conditions. Interestingly, the yields of the condensed products significantly increase upon increasing spacer lengths of the cyclic bis-porphyrins because more substrates can then be encapsulated within the cavity. Such controllable cavity size of the cyclic containers has profound implications for constructing highly

  15. Bis(benzimidazole)amine vanadium catalysts for olefin polymerisation and co-polymerisation: thermally robust, single-site catalysts activated by simple alkylaluminium reagents.

    Science.gov (United States)

    Tomov, Atanas K; Gibson, Vernon C; Zaher, Damien; Elsegood, Mark R J; Dale, Sophie H

    2004-09-07

    Vanadium complexes containing bis(benzimidazole)amine ligands, upon activation by simple alkylaluminium reagents, give unusually robust, single-site, catalysts for olefin polymerisation/co-polymerisation.

  16. Two-dimensional structure of poly[[[μ2-1,4-bis(pyridin-4-ylbutane]bis(μ4-pentanedioatodicopper(II] acetonitrile disolvate

    Directory of Open Access Journals (Sweden)

    Do Nam Lee

    2017-10-01

    Full Text Available In the title compound, {[Cu2(μ4-C5H6O42(μ2-C14H16N2]·2CH3CN}n, the Cu2 dinuclear units are connected by glutartate ligands, forming one-dimensional double chains. These chains, are in turn bridged by 1,4-bis(pyridin-4-ylbutane ligands to form a two-dimensional layer structure parallel to (112. The carboxylate groups of the glutarate ligand bridge two copper(II ions, forming a paddle-wheel-type Cu2(CO24 dinuclear secondary building unit. A crystallographic inversion centre is located midway between two CuII ions, with a Cu...Cu distance of 2.639 (3 Å. The coordination geometry of the unique CuII ion is slightly disorted square pyramidal, formed by four equatorial carboxylate O atoms and an axial pyridyl N atom.

  17. Bis(4-acetyl-3-methyl-1-phenyl-1H-pyrazol-5-olato-κ2O,O′bis(N,N-dimethylformamide-κOnickel(II

    Directory of Open Access Journals (Sweden)

    Hualing Zhu

    2010-08-01

    Full Text Available The title complex, [Ni(C12H11N2O22(C3H7NO2], lies on on an inversion center. The NiII ion is coordinated in a slightly distorted octahedral coordination enviroment by four O atoms from two bis-chelating 4-acety-3-methyl-1-phenyl-1H-pyrazol-5-olate ligands in the equatorial plane and two O atoms from two N,N-dimethylformamide ligands in the axial sites. In the crystal structure, weak intermolecular π–π stacking interactions with centroid–centroid distances of 3.7467 (13 Å link molecules into chains extending alongthe b axis.

  18. Bis(4-acetyl-3-methyl-1-phenyl-1H-pyrazol-5-olato-κO,O')bis-(N,N-dimethyl-formamide-κO)nickel(II).

    Science.gov (United States)

    Zhu, Hualing; Wei, Zhen; Bu, Luxia; Xu, Xiaoping; Shi, Jun

    2010-07-10

    The title complex, [Ni(C(12)H(11)N(2)O(2))(2)(C(3)H(7)NO)(2)], lies on on an inversion center. The Ni(II) ion is coordinated in a slightly distorted octa-hedral coordination enviroment by four O atoms from two bis-chelating 4-acety-3-methyl-1-phenyl-1H-pyrazol-5-olate ligands in the equatorial plane and two O atoms from two N,N-dimethyl-formamide ligands in the axial sites. In the crystal structure, weak inter-molecular π-π stacking inter-actions with centroid-centroid distances of 3.7467 (13) Å link mol-ecules into chains extending alongthe b axis.

  19. Poly[[[diisothiocyanatocobalt(II]-bis[μ-4-tert-butyl-2,6-bis(1,2,4-triazol-1-ylmethylphenol

    Directory of Open Access Journals (Sweden)

    2009-03-01

    Full Text Available In the title compound, {[Co(NCS2(C16H20N6O2]·2C3H7NO·2H2O}n, each CoII ion located on an inversion center is six-coordinated by four equatorial N atoms from four different 4-tert-butyl-2,6-bis(1,2,4-triazol-1-ylmethylphenol (L ligands, and by two N atoms from two axial thiocyanate anions [Co—N = 2.104 (3–2.144 (3 Å]. The metal centres are connected via the bidentate L ligands into two-dimensional polymeric layers parallel to bc plane. The dimethylformamide and solvent water molecules participate in intermolecular O—H...O and O—H...S hydrogen bonds, which consolidate the crystal packing.

  20. Crystal structure of bis[N,N-bis(2-hydroxyethylglycinato-κ3O1,N,O2]cobalt(II monohydrate

    Directory of Open Access Journals (Sweden)

    Yang Liu

    2015-11-01

    Full Text Available The title compound, [Co(C6H12O42]·H2O, was prepared by mild heating of an aqueous solution. The CoII ion has a slightly distorted octahedral coordination environment which is defined by two N atoms occupying the apical position, while the equatorial plane is furnished by two hydroxy O atoms and two carboxylate O atoms. The four hydroxy O atoms from two distinct N,N-bis(2-hydroxyethylglycine (bicH2− ligands act as hydrogen-bond donors with two carboxylate O atoms as acceptors to form O—H...O hydrogen-bonded layers extending parallel to (100. In addition, the guest water molecule acts as both a hydrogen-bond donor and acceptor, so that each Co(bicH22 molecule is connected simultaneously to six neighbouring Co(bicH22 and two guest water molecules by hydrogen bonding.

  1. Crystal structure of bis(1,3-bis{[(1H-pyrrol-2-ylmethylidene]amino-κN}propan-2-olato-κOmanganese(III nitrate methanol monosolvate

    Directory of Open Access Journals (Sweden)

    Seoung Hyun Ahn

    2014-10-01

    Full Text Available The asymmetric unit of the title compound, [Mn(C13H15N4O2]NO3·CH3OH, contains two independent complex cations, in each of which the MnIII ion is located on an inversion centre. The MnIII ion is coordinated by four N and two O atoms from two 1,3-bis{[(1H-pyrrol-2-ylmethylidene]amino}propan-2-olate ligands, resulting in a distorted octahedral geometry. The average Mn—ligand bond lengths in the two complex molecules are 2.074 and 2.079 Å. In the crystal, intermolecular N—H...O hydrogen bonds between the pyrrole group of the ligand and the non-coordinating nitrate ion give rise to a chain structure along [10-1]. The methanol solvent molecule and the nitrate ion are connected by an O—H...O hydrogen bond.

  2. Conductivity and spectroscopic investigation of bis(trifluoromethanesulfonyl)imide solution in ionic liquid 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide.

    Science.gov (United States)

    Yu, Lei; Pizio, Benjamin S; Vaden, Timothy D

    2012-06-07

    Protic ionic liquids (PILs) are promising alternatives to water for swelling Nafion as a fuel cell proton exchange membrane (PEM). PILs can significantly improve the high-temperature performance of a PEM. The proton dissociation and solvation mechanisms in a PIL, which are keys to understanding the proton transportation and conductivity, have not been fully explored. In this paper, we used FTIR, Raman, and electronic spectroscopy with computational simulation techniques to explore the spectroscopic properties of bis(trifluoromethanesulfonyl)imide (HTFSI) solutions in 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide (BMITFSI) ionic liquid at concentrations from ∼0.1 to as high as ∼1.0 M. Solution conductivities were measured at room temperature and elevated temperatures up to ∼65 °C. The solution structure and properties depend on the concentration of HTFSI. At lower concentration, around 0.1 M, the HTFSI solution has higher conductivity than pure BMITFSI. However, the conductivity decreases when the concentration increases from 0.1 to 1.0 M. Temperature-dependent conductivities followed the Vogel-Fulcher-Tamman equation at all concentrations. Conductivity and spectroscopy results elucidate the complicated ionization and solvation mechanism of HTFSI in BMITFSI solutions. Raman spectroscopy and density functional theory (DFT) calculations are consistent with the complete ionization of HTFSI to generate solvated H(+) at low concentrations. FTIR, Raman, and electronic spectroscopic results as well as DFT computational simulation indicated that when the concentration is as high as 1.0 M, a significant amount of TFSI(-) is protonated, most likely at the imide nitrogen.

  3. Surfactant assisted self-assembly of zinc 5,10-bis (4-pyridyl)-15,20-bis (4-octadecyloxyphenyl) porphyrin into supramolecular nanoarchitectures

    Energy Technology Data Exchange (ETDEWEB)

    Gautam, Renu; Chauhan, S.M.S., E-mail: smschauhan@chemistry.du.ac.in

    2014-10-01

    The surfactant assisted self-assembly (SAS) method has been used in the formation of nanocubes, nanorods and microrods from zinc 5,10-bis (4-pyridyl)-15,20-bis (4-octadecyloxyphenyl) porphyrin. By the dropwise addition of chloroform solution of the zinc porphyrin into an aqueous solution of cetyltrimethylammonium bromide (CTAB), cuboidal nanostructures are formed at the initial stage. The nanocubes are transformed into nanorods and microrods by aging under ambient conditions. The longer nanorods with well defined edges have been formed with lower concentration of porphyrin solution whereas the shorter nanorods have been formed with higher concentration of zinc porphyrin. The synergistic effect of hydrophobic interactions by the long alkyl chains substituted on the peripheral phenyl rings of porphyrin and axial coordination of pyridyl nitrogen atoms with central zinc is mainly responsible for the formation of different nanostructures. The nanostructures were characterized by UV–visible spectra, fluorescence spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), atomic force microscopy (AFM), IR spectroscopy and X-ray diffraction (XRD) pattern. - Graphical abstract: Supramolecular nanocubes, nanorods and microrods have been controllably fabricated by a simple surfactant-assisted solution route using unsymmetrical porphyrin bearing self assembly motifs. - Highlights: • Nanoaggregates from unsymmetrical porphyrin using surfactant were fabricated. • Zn–N axial interaction and hydrophobic interaction play a major role in aggregation. • Self-assembly can be controlled via porphyrin concentration and aging time. • A possible explanation for the fabrication of nanoaggregates has been proposed. • Highly ordered J type of aggregation takes place.

  4. Characterization of ternary bivalent metal complexes with bis(2-hydroxyethyl)iminotris(hydroxymethy)methane (Bis?Tris) and the comparison of five crystal structures of Bis?Tris complexes*1

    Science.gov (United States)

    Inomata, Yoshie; Gochou, Yoshihiro; Nogami, Masanobu; Howell, F. Scott; Takeuchi, Toshio

    2004-09-01

    Eleven bivalent metal complexes with bis(2-hydroxyethyl)iminotris(hydroxymethy)methane (Bis-Tris:hihm): [M(hihm)(H 2O)]SO 4· nH 2O (M: Co, Ni, Cu, Zn), [MCl(hihm)]Cl· nH 2O (M: Co, Ni, Cu), and [M(HCOO)(hihm)](HCOO) (M: Co, Ni, Cu, Zn) have been prepared and characterized by using their infrared absorption and powder diffuse reflection spectra, magnetic susceptibility, thermal analysis and powder X-ray diffraction analysis. The crystal structures of [Ni(hihm)(H 2O)]SO 4·H 2O ( 2), [Cu(hihm)(H 2O)]SO 4 ( 3), [NiCl(hihm)]Cl·H 2O ( 6), [CuCl(hihm)]Cl ( 7) and [Co(HCOO)(hihm)](HCOO) ( 8) have been determined by single crystal X-ray diffraction analysis. The crystals of [Ni(hihm)(H 2O)]SO 4·H 2O ( 2) and [Cu(hihm)(H 2O)]SO 4 ( 3) are each orthorhombic with the space group P2 12 12 1 and Pna2 1. For both complexes, the metal atom is in a distorted octahedral geometry, ligated by four hydroxyl oxygen atoms, a nitrogen atom and a water molecule. [NiCl(hihm)]Cl·H 2O ( 6) is monoclinic with the space group P2 1/ n. For complex ( 6), the nickel atom is in a distorted octahedral geometry, ligated by four hydroxyl oxygen atoms, a nitrogen atom and a chloride ion. [CuCl(hihm)]Cl ( 7) is orthorhombic with the space group P2 12 12 1. Although in this copper(II) complex the copper atom is ligated by six atoms, it is more reasonable to think that the copper atom is in a trigonal bipyramidal geometry coordinated with five atoms: three hydroxyl oxygen atoms, a nitrogen atom and a chloride ion if the bond distances and angles surrounding the copper atom are taken into consideration. [Co(HCOO)(hihm)](HCOO) ( 8) is monoclinic with the space group P2 1. In cobalt(II) complex ( 8), the cobalt atom is in a distorted octahedral geometry, ligated by four hydroxyl oxygen atoms, a nitrogen atom and an oxygen atom of a formate ion. The structure of complex ( 8) is the same as the structure of [NiCl(hihm)]Cl·H 2O ( 6) except for the formate ion coordinating instead of the chloride ion. [M

  5. Synthesis and electronic structure of bis(imino)pyridine iron metallacyclic intermediates in iron-catalyzed cyclization reactions.

    Science.gov (United States)

    Hoyt, Jordan M; Sylvester, Kevin T; Semproni, Scott P; Chirik, Paul J

    2013-03-27

    The bis(imino)pyridine iron dinitrogen compound, ((iPr(TB))PDI)Fe(N2)2 ((iPr(TB))PDI = 2,6-(2,6-(i)Pr2-C6H3-N═C-(CH2)3)2(C5H1N)) is an effective precatalyst for the [2π + 2π] cycloaddition of diallyl amines as well as the hydrogenative cyclization of N-tosylated enynes and diynes. Addition of stoichiometric quantities of amino-substituted enyne and diyne substrates to ((iPr(TB))PDI)Fe(N2)2 resulted in isolation of catalytically competent bis(imino)pyridine iron metallacycle intermediates. A combination of magnetochemistry, X-ray diffraction, and Mössbauer spectroscopic and computational studies established S = 1 iron compounds that are best described as intermediate-spin iron(III) (SFe = 3/2) antiferromagnetically coupled to a chelate radical anion (SPDI = 1/2). Catalytically competent bis(imino)pyridine iron diene and metallacycles relevant to the [2π + 2π] cycloaddition were also isolated and structurally characterized. The combined magnetic, structural, spectroscopic, and computational data support an Fe(I)-Fe(III) catalytic cycle where the bis(imino)pyridine chelate remains in its one-electron reduced radical anion form. These studies revise a previous mechanistic proposal involving exclusively ferrous intermediates and highlight the importance of the redox-active bis(imino)pyridine chelate for enabling catalytic cyclization chemistry with iron.

  6. Conformational switching of ethano-bridged Cu,H2-bis-porphyrin induced by aromatic amines

    Directory of Open Access Journals (Sweden)

    Simona Bettini

    2015-11-01

    Full Text Available Cu,H2-bis-porphyrin (Cu,H2-Por2, in which copper porphyrin and free-base porphyrin are linked together by an ethano-bridge, was dissolved in chloroform and spread at the air/liquid subphase interface of a Langmuir trough. The bis-porphyrin derivative, floating film was characterized by reflection spectroscopy and the surface pressure of the floating film was studied as a function of the mean area per molecule. When aromatic amines are dissolved in the subphase, an evident interaction between the bis-porphyrin host and the aromatic amine guest is observed. A clear-cut variation of the profile of surface pressure vs area per molecule curve is observed. Reflection spectroscopy highlights that the aromatic amines dissolved in the subphase are able to induce the syn-to-anti conformational switching in the bis-porphyrin derivative. The Langmuir–Schaefer technique has been used to transfer the floating bis-porphyrin film (when using pure water as a subphase to a surface plasmon resonance (SPR substrate and the resulting device was able to detect the presence of aniline at concentrations as low as 1 nM in aqueous solution. The high selectivity of the SPR sensing device has been verified by checking the spectral response of the active layer towards other analytes dissolved in the aqueous solutions.

  7. Bis-indolic compounds as potential new therapeutic alternatives for tularaemia.

    Science.gov (United States)

    Caspar, Yvan; Sutera, Vivien; Boisset, Sandrine; Denis, Jean-Noël; Maurin, Max

    2014-01-01

    Francisella tularensis is the etiological agent of tularaemia and a CDC class A biological threat agent. Few antibiotic classes are currently useful in treating tularaemia, including the aminoglycosides gentamicin and streptomycin, fluoroquinolones, and tetracyclines. However, treatment failures and relapses remain frequent and F. tularensis strains resistant to antibiotics have been easily selected in vitro. In this study, we evaluated the activity of new synthetic bis-indole derivatives against this pathogen. Minimum inhibitory concentrations (MICs) of four compounds (dcm01 to dcm04) were determined for the reference strains F. tularensis subsp. holarctica LVS NCTC10857, F. tularensis subsp. novicida CIP56.12 and F. philomiragia ATCC25015, and for 41 clinical strains of F. tularensis subsp. holarctica isolated in France. Minimal bactericidal concentrations (MBCs) were determined for the dcm02 and dcm04 compounds for the LVS and two clinical strains. Killing curves were also determined for the same three strains exposed to dcm04. All tested bis-indole compounds were bacteriostatic against F. tularensis subsp. holarctica strains, with a MIC90 of 8 μg/mL for dcm01, dcm02, and dcm03, and 2 μg/mL for dcm04. Only one strain was resistant to both dcm01 and dcm03, with MICs > 32 μg/mL. In contrast, F. tularensis subsp. novicida was resistant to all derivatives and F. philomiragia was only susceptible to dcm02 and dcm04, with MICs of 16 and 4 μg/mL, respectively. MBC and killing curve experiments revealed significant bactericidal activity (i.e., 3-log reduction of the bacterial inoculum) of the dcm02 and dcm04 compounds only for the LVS strain. In conclusion, we have identified novel synthetic bis-indole compounds that are active against F. tularensis subsp. holarctica. They may be drug candidates for the development of new therapeutic alternatives for tularaemia treatment. Their further characterization is needed, especially identification of their bacterial targets.

  8. Diversity of RuBisCO and ATP citrate lyase genes in soda lake sediments.

    Science.gov (United States)

    Kovaleva, Olga L; Tourova, Tatjana P; Muyzer, Gerard; Kolganova, Tatjana V; Sorokin, Dimitry Y

    2011-01-01

    Sediments from six soda lakes of the Kulunda Steppe (Altai, Russia) and from hypersaline alkaline lakes of Wadi Natrun (Egypt) were analyzed for the presence of cbb and aclB genes encoding key enzymes Ci assimilation (RuBisCO in Calvin-Benson and ATP citrate lyase in rTCA cycles, respectively). The cbbL gene (RuBisCO form I) was found in all samples and was most diverse, while the cbbM (RuBisCO form II) and aclB were detected only in few samples and with a much lower diversity. The cbbL libraries from hypersaline lakes were dominated by members of the extremely haloalkaliphilic sulfur-oxidizing Ectothiorhodospiraceae, i.e. the chemolithotrophic Thioalkalivibrio and the phototrophic Halorhodospira. In the less saline soda lakes from the Kulunda Steppe, the cbbL gene comprised up to ten phylotypes with a domination of members of a novel phototrophic Chromatiales lineage. The cbbM clone libraries consisted of two major unidentified lineages probably belonging to chemotrophic sulfur-oxidizing Gammaproteobacteria. One of them, dominating in the haloalkaline lakes from Wadi Natrun, was related to a cbbM phylotype detected previously in a hypersaline lake with a neutral pH, and another, dominating in lakes from the Kulunda Steppe, was only distantly related to the Thiomicrospira cluster. The aclB sequences detected in two samples from the Kulunda Steppe formed a single, deep branch in the Epsilonproteobacteria, distantly related to Arcobacter sulfidicus. © 2010 Federation of European Microbiological Societies. Published by Blackwell Publishing Ltd. All rights reserved.

  9. Fabrication and evaluation of Bis-GMA/TEGDMA dental resins/composites containing halloysite nanotubes.

    Science.gov (United States)

    Chen, Qi; Zhao, Yong; Wu, Weidong; Xu, Tao; Fong, Hao

    2012-10-01

    To investigate the reinforcement of Bis-GMA/TEGDMA dental resins (without conventional glass filler) and the corresponding composites (with conventional glass filler) containing varied mass fractions of halloysite nanotubes (HNTs). Three dispersion methods were studied to separate the silanized halloysite as individual HNTs and to uniformly distribute them into dental matrices. Photopolymerization induced volumetric shrinkage was measured by using a mercury dilatometer. Real time near infrared spectroscopy was adopted to study the degree of vinyl double bond conversion and the photopolymerization rate. Mechanical properties of the composites were tested by a universal mechanical testing machine. Analysis of variance (ANOVA) was used for the statistical analysis of the acquired data. Morphologies of halloysite/HNTs and representative fracture surfaces of the reinforced dental resins/composites were examined by SEM and TEM. Impregnation of small mass fractions (e.g., 1% and 2.5%) of the silanized HNTs in Bis-GMA/TEGDMA dental resins/composites improved mechanical properties significantly; however; large mass fractions (e.g., 5%) of impregnation did not further improve the mechanical properties. The impregnation of HNTs into dental resins/composites could result in two opposite effects: the reinforcing effect due to the highly separated and uniformly distributed HNTs, and the weakening effect due to the formation of HNT agglomerates/particles. Uniform distribution of a small amount of well-separated silanized HNTs into Bis-GMA/TEGDMA dental resins/composites could result in substantial improvements on mechanical properties. Copyright © 2012 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

  10. Fabrication and evaluation of Bis-GMA/TEGDMA dental resins/composites containing nano fibrillar silicate.

    Science.gov (United States)

    Tian, Ming; Gao, Yi; Liu, Yi; Liao, Yiliang; Hedin, Nyle E; Fong, Hao

    2008-02-01

    To investigate the reinforcement of Bis-GMA/TEGDMA dental resins (without conventional glass filler) and composites (with conventional glass filler) with various mass fractions of nano fibrillar silicate (FS). Three dispersion methods were studied to separate the silanized FS as nano-scaled single crystals and uniformly distribute them into dental matrices. The photo-curing behaviors of the Bis-GMA/TEGDMA/FS resins were monitored in situ by RT-NIR to study the photopolymerization rate and the vinyl double bond conversion. Mechanical properties (flexural strength, elastic modulus and work-of-fracture) of the nano FS reinforced resins/composites were tested, and analysis of variance (ANOVA) was used for the statistical analysis of the acquired data. The morphology of nano FS and the representative fracture surfaces of its reinforced resins/composites were examined by SEM/TEM. Impregnation of small mass fractions (1% and 2.5%) of nano FS into Bis-GMA/TEGDMA (50/50 mass ratio) dental resins/composites improved the mechanical properties substantially. Larger mass fraction of impregnation (7.5%), however, did not further improve the mechanical properties (one way ANOVA, P>0.05) and may even reduce the mechanical properties. The high degree of separation and uniform distribution of nano FS into dental resins/composites was a challenge. Impregnation of nano FS into dental resins/composites could result in two opposite effects: a reinforcing effect due to the highly separated and uniformly distributed nano FS single crystals, or a weakening effect due to the formation of FS agglomerates/particles. Uniform distribution of highly separated nano FS single crystals into dental resins/composites could significantly improve the mechanical properties of the resins/composites.

  11. Synthesis of a Bis(thiophenolate)pyridine Ligand and Its Titanium, Zirconium, and Tantalum Complexes

    KAUST Repository

    Lenton, Taylor N.

    2012-11-12

    A precursor to a new tridentate LX 2 type ligand, bis(thiophenol)pyridine ((SNS)H 2 = (2-C 6H 4SH) 2-2,6-C 5H 3N), was prepared. Bis(thiophenolate)pyridine complexes of Ti, Zr, and Ta having dialkylamido coligands were synthesized and structurally characterized. The zirconium complex (SNS)Zr(NMe 2) 2 (4) displays C 2 symmetry in the solid state, unlike a related bis(phenolate)pyridine compound, C s-symmetric (ONO)Ti(NMe 2) 2. This change is likely the result of strain about the sulfur atom in the six-membered chelate with longer metal-sulfur and carbon-sulfur bonds. Solid-state structures of tantalum complexes (SNS)Ta(NMe 2) 3 (5) and (SNS)TaCl(NEt 2) 2 (6) also display pronounced C 2 twisting of the SNS ligand. 1D and 2D NMR experiments show that 5 is fluxional, with rotation about the Ta-N(amide) bonds occurring on the NMR time scale that interchange the equatorial amide methyl groups (ΔG ‡ 393 = 25.0(3) kcal/mol). The fluxional behavior of 6 in solution was also studied by variable-temperature 1H NMR. Observation of separate signals for the diastereotopic protons of the methylene unit of the diethylamide indicates that the complex remains locked on the NMR time scale in one diastereomeric conformation at temperatures below -50 °C, fast rotation about the equatorial amide Ta-N bonds occurs at higher temperature (ΔG ‡ 393 = 13.4(3) kcal/mol), and exchange of diastereomeric methylene protons occurs via inversion at Ta that interconverts antipodes (ΔG ‡ 393 ≈ 14(1) kcal/mol). © 2012 American Chemical Society.

  12. Structural and spectroscopic characterization of five coordinate iron and cobalt bis(dithiolene)-trimethylphosphine complexes

    Science.gov (United States)

    Selby-Karney, Troy; Grossie, David A.; Arumugam, Kuppuswamy; Wright, Eyglo; Chandrasekaran, P.

    2017-08-01

    Heteroleptic bis(dithiolene)-phosphine iron and cobalt complexes [Fe(adt)2(PMe3)] (1) and [Co(adt)2(PMe3)] (2) (adt = para-anisyldithiolene) have been synthesized from corresponding bis(dithiolene) dimers [M2(adt)4]2 (M = Fe, Co) by reacting with excess PMe3 in dichloromethane. Solid-state structures of 1 and 2 have been determined by single crystal X-ray crystallography, and the dithiolene ligands Csbnd S (≈1.72 Å) and Csbnd C (≈1.37 Å) bond distances reveal the coordination of π-radical monoanionic dithiolene (adt•1-) ligands to metal centers. Intense low energy ligand-to-ligand-charge transfer (LLCT) absorption band (743 nm for 1; 905 nm for 2) in UV-vis spectra and characteristic ν(Cdbnd S•) (1168 cm-1 for 1; 1170 cm-1 for 2) in IR spectra affirms coordination of π-radical monoanionic dithiolenes to divalent metal ions. The cyclic voltammogram of 1 and 2 shows reversible oxidation and reduction waves attributed to MII → MIII + e- (+0.52 V for 1; +0.29 V for 2) and adt•1- + e- → adt2- (-0.63 V for 1; -0.46 V for 2) redox process respectively. Comprehensive structural and spectroscopic investigations conclude, [M2III(adt2-)2(adt•1-)2] → 2 [MII(adt•1-)2(PMe3)] intramolecular redox interplay during phosphine coordination induced cleavage of homoleptic bis(dithiolene) dimers to produce square pyramidal complexes.

  13. New discrete and polymeric supramolecular architectures derived from dinuclear (bis-beta-diketonato)copper(II) metallocycles.

    Science.gov (United States)

    Clegg, Jack K; Gloe, Karsten; Hayter, Michael J; Kataeva, Olga; Lindoy, Leonard F; Moubaraki, Boujemaa; McMurtrie, John C; Murray, Keith S; Schilter, David

    2006-09-07

    New examples of adducts between di- (and, in one instance, tetra-) functional nitrogen ligands and planar 'platform-like' dinuclear copper(II) complexes, [Cu2L2], incorporating the 1,3-aryl linked bis-beta-diketonato bridging ligand 1,1'-(1,3-phenylene)-bis(4,4-dimethylpentane-1,3-dione) (H2L) have been synthesised. The X-ray structures of six adduct species are reported. The interaction of [Cu2(L)2] with the ditopic ligand aminopyrazine (apyz) yielded the sandwich-like tetranuclear species [(Cu2L2(apyz))2]. A variable-temperature magnetochemical investigation of this product indicated weak antiferromagnetic coupling between the (five-coordinate) copper centres, mediated by the 2-aminopyrazine linkers. An analogous structure, [(Cu2L2(dabco))2] (dabco=1,4-diazabicyclo[2.2.2]octane), was generated when dabco was substituted for aminopyrazine while use of 4,4'-dipyridyl sulfide (dps) and 4,4'-(1,3-xylylene)-bis(3,5-dimethylpyrazole) (xbp) as the ditopic 'spacer' ligands resulted in polymeric species of type [Cu2L2(dps)]n and [Cu2L2(xbp)]n, respectively. These latter species exist as one-dimensional chain structures in which copper(II) centres on different dinuclear platforms are linked in a 'zigzag' fashion. In contrast, with 2,2'-dipyridylamine (dpa) a discrete complex of type [Cu2L2(dpa)2] formed in which one potential pyridyl donor from each 2,2'-dipyridylamine ligand remains uncoordinated. The use of the potentially quadruply-bridging hexamethylenetetramine (hmt) ligand as the linker unit was found to give rise to an unusual two-dimensional polymeric motif of type [(Cu2(L2)2)3(hmt)2]n. The product takes the form of a (6,3) network, incorporating triply bridging hexamethylenetetramine units.

  14. Simple, mild, and highly efficient synthesis of 2-substituted benzimidazoles and bis-benzimidazoles

    Energy Technology Data Exchange (ETDEWEB)

    Eren, Bilge, E-mail: bilge.eren@bilecik.edu.tr [Faculty of Science and Arts, Department of Chemistry, Bilecik Seyh Edebali University, (Turkey); Bekdemir, Yunus [Faculty of Science and Arts, Canik Basari University, Samsun (Turkey)

    2014-07-01

    A new convenient method for preparation of 2-substituted benzimidazoles and bis-benzimidazoles is presented. In this method, o-phenylenediamines were condensed with bisulfite adducts of various aldehydes and di-aldehydes under neat conditions by microwave heating. The results were also compared with results of synthesis by conventional heating under reflux. Structures of the products were confirmed by infrared, {sup 1}H- and {sup 13}C-NMR spectroscopy. Short reaction times, good yields, easy purification of products, and mild reaction conditions are the main advantages of this method. (author)

  15. Effect of substituents and structural modification on conformational equilibrium in bis-quinolizidine system

    Science.gov (United States)

    Wysocka, Waleria; Brukwicki, Tadeusz; Włodarczak, Jacek

    2012-06-01

    On the basis of literature interpretation of 13C NMR and 1H NMR spectra of bis-quinolizidine alkaloids, the values of free enthalpy ΔG of conformational equilibria of those compounds were calculated. The results were analysed together with the X-ray and DFT data to discuss the effects of different substituents attached to the sparteine system in various positions as well as the effects of structural modifications on conformational equilibria. The measure of the effect was expressed by ΔΔG value, defined as the difference in ΔG of the compound under consideration and its parent compound without a given substituent.

  16. Bis(pyrrolo)tetrathiafulvalene - An Efficient Pi-Donor in Supramolecular Chemistry

    DEFF Research Database (Denmark)

    Lau, Jesper; Nielsen, Mogens Brøndsted; Thorup, Niels

    1999-01-01

    The synthesis of three novel macrocycles 3-5 based on the two electron donors bis(2,5-dimethyl- pyrrolo)[3,4-d]tetrathiafulvalene (1) and 1,4-hydroquinone is presented. Their abilities to include the electron acceptor paraquat (6) have been investigated by UV/Vis and sup 1 H NMR spectroscopy and ......, the preferred position of the cyclic acceptor 7 in the catenanes around either the pyrrolo-annelated TTF or around the hydroquinone donor relies on a fine balance between all the individual noncovalent forces acting in cooperation....

  17. The Passive Personality Principle and the General Principle of Ne Bis In Idem

    Directory of Open Access Journals (Sweden)

    Regula Echle

    2013-09-01

    Full Text Available This paper demonstrates the interest which a victim of a transnational crime may have in moving proceedings across the border. It also considers the means with which this can be done. By virtue of the passive personality principle, a Swiss victim can move proceedings back to Switzerland for a civil claim which would not otherwise have a forum in Switzerland. Further, it is suggested that there is a conflict between the passive personality principle and the prohibition of double jeopardy. This paper argues for a restrictive interpretation of the passive personality principle  and a broadening of the principle of ne bis in idem.

  18. Synthesis and antifungal activity of halogenated aromatic bis-γ-lactones analogous to avenaciolide

    Directory of Open Access Journals (Sweden)

    Pedro A. Castelo-Branco

    2012-01-01

    Full Text Available Here we describe the total syntheses and characterization by elemental analyses, infrared and NMR spectroscopy of three new compounds analogous to avenaciolide, a bis-γ-lactone isolated from Aspergillus avenaceus that possesses antifungal activity, where the octyl group of the natural product was replaced by aromatic groups containing chlorine and fluorine atoms. The effects of the avenaciolide, the novel compounds and their synthetic precursors on mycelia development and conidia germination of Colletotrichum gloeosporioides and Fusarium solani were evaluated in vitro. The title compounds were almost as active as avenaciolide. The absolute structures of the chlorinated analogs were determined by X-ray diffraction analysis.

  19. 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.

  20. Tax penalty payment and the “non bis in idem” principle

    Directory of Open Access Journals (Sweden)

    Marie Karfíková

    2017-01-01

    Full Text Available The subject. This paper deals with problems related to tax law with a special focus on legalregulation of the tax procedure contained in the Czech Tax Procedure Code. Attention ispaid in particular to tax penalty payments and the “non bis in idem” principle.The purpose to identify ratio between penalty payments in tax procedure and in criminalprocedure in context of “non bis in idem” principle.The methodological basis of the article is analysis of legislation and court practice of Czechrepublic, Austria, European Union, including formal legal analysis, comparative analysis,synthesis, systematic approach.The results and scope of application. The existing case law of the Czech criminal courts andof the Supreme Court was based on the legal opinion that a penalty payment imposed bythe tax administration in a tax procedure constitutes no punishment, i.e. it is no sanction ofcriminal nature, so that even the final (enforceable decision of the tax administration doesnot create a “ne bis in idem”1 barrier in relation to criminal sanctions for the same taxesrelatednon-compliant action (tax evasion in respect of the penalty payment imposed bythe tax administration.Conclusions. It would probably be advisable for the legislation to amend the relevant provisionsof the Tax Procedure Code in a way that the tax authorities concentrate within thelimits of their powers on proper tax collection and that the law enforcement authorities areauthorized to punishments for deliberate tax evasion. A suggested amendment may thereforebe the removal of the penalty payments from the Tax Procedure Code as the defaultinterest itself is sufficient instrument enough to penalize the taxpayers. Another option is to keep the tax penalty payment in the Tax Procedure Code, but its imposition would only be considered after making sure that the result of any criminal proceedings does not constitute a “ne bis in idem” prohibition within the meaning of Art. 40 (5 of the

  1. Synthesis and characterization of ether linkage containing bis-fluoran compounds

    Directory of Open Access Journals (Sweden)

    MANISH P. PATEL

    2003-09-01

    Full Text Available 2’-Chloro-6’-diethylaminofluoran and 2’-chloro-3’-methyl-6’-diethylaminofluoran were reacted with various diphenols in dimethyl formamide in the presence of potassium carbonate to give the related bis-fluoran compounds. All the synthesized derivatives were identified by conventional methods (IR, 1H-NMR, elemental analysis and UV-visible spectroscopy in organic solvent and 95 % acetic acid. All the fluoran compounds change their colour in acidic media.

  2. Bis(Cyclic Alkyl Amino Carbene) Ruthenium Complexes: A Versatile, Highly Efficient Tool for Olefin Metathesis.

    Science.gov (United States)

    Gawin, Rafał; Kozakiewicz, Anna; Guńka, Piotr A; Dąbrowski, Paweł; Skowerski, Krzysztof

    2017-01-19

    The state-of-the-art in olefin metathesis is application of N-heterocyclic carbene (NHC)-containing ruthenium alkylidenes for the formation of internal C=C bonds and of cyclic alkyl amino carbene (CAAC)-containing ruthenium benzylidenes in the production of terminal olefins. A straightforward synthesis of bis(CAAC)Ru indenylidene complexes, which are highly effective in the formation of both terminal and internal C=C bonds at loadings as low as 1 ppm, is now reported. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. (m-Phenylenedimethylenebis(triphenylphosphonium bis[chlorido(pentafluorophenylaurate(I] dichloromethane disolvate

    Directory of Open Access Journals (Sweden)

    Helgard G. Raubenheimer

    2009-12-01

    Full Text Available The title compound, (C44H38P2[AuCl(C6F5]2·2CH2Cl2, crystallizes with a twofold rotation axis through the central benzene ring in the bis-phosphonium dication. In the crystal, the dications and anions are ordered into columns running parallel to the c axis by contacts of the pro-ylidic CH2 groups with the Cl atom of one and an ortho-F atom of another anion. The space between the columns is occupied by CH2Cl2 solvent molecules.

  4. Cyclic Bis-1,3-dialkylpyridiniums from the Sponge Haliclona sp.

    Directory of Open Access Journals (Sweden)

    Jongheon Shin

    2012-09-01

    Full Text Available Eight novel cyclic bis-1,3-dialkylpyridiniums, as well as two known compounds from the cyclostellettamine class, were isolated from the sponge Haliclona sp. from Korea. Structures of these novel compounds were determined using combined NMR and FAB-MS/MS analyses. Several of these compounds exhibited moderate cytotoxic and antibacterial activities against A549 cell-line and Gram-positive strains, respectively. The structure-activity relationships of cyclostellettamines are discussed based on their bioactivities.

  5. Poly[1,4-bis(ammoniomethylcyclohexane [di-μ-iodido-diiodidoplumbate(II

    Directory of Open Access Journals (Sweden)

    Matthew Kyle Rayner

    2010-06-01

    Full Text Available The title compound, {(C8H20N2[PbI4]}n, is an inorganic–organic hybrid. The structure is composed of alternate layers of two-dimensional corner-sharing PbI6 octahedra (overline{1} symmetry and 1,4-bis(ammoniomethylcyclohexane cations (overline{1} symmetry extending parallel to the bc plane. The cations interact with the inorganic layer via N—H...I hydrogen bonding in the right-angled halogen sub-type of the terminal halide hydrogen-bonding motif.

  6. Complexation between Methyl Viologen (Paraquat) Bis(Hexafluorophosphate) and Dibenzo[24]Crown-8 Revisited

    DEFF Research Database (Denmark)

    Gasa, Travis B.; Spruell, Jason M.; Dichtel, William R.

    2009-01-01

    Paraquat bis(hexafluorophosphate) undergoes stepwise dissociation in acetone. All three species - the neutral molecule, and the mono- and dications - are represented significantly under the experimental conditions typically used in host-guest binding studies. Paraquat forms at least four host...... toward dibenzo[24]crown-8. Thus, the relative abundance of neutral, singly, and doubly charged pseudorotaxanes is identical to the relative abundance of neutral, singly, and doubly charged paraquat unbound with respect to the crown ether in acetone. In the specific case of paraquat/dibenzo[24]crown-8...

  7. Synthesis and Characterization of the Adducts of Bis(O-ethyldithiocarbonatocopper(II with Substituted Pyridines

    Directory of Open Access Journals (Sweden)

    Gurpreet Kour

    2013-01-01

    Full Text Available Monomeric five coordinated adducts of bis(O-ethyldithiocarbonatocopper(II of general formula [Cu(C2H5OCS22(L], [L = 2-, 3-, 4-methylpyridines and 2-, 3-, 4-ethylpyridines] have been synthesized and characterized by elemental analysis, i.r. and electronic spectroscopy, magnetic and conductivity measurements. Analytical results show that the adducts have 1 : 1 stoichiometry. The adducts were found to be paramagnetic and their magnetic moments at room temperature lie within the 1.81–1.94 B.M. range and this indicates the presence of one unpaired electron. All the adducts have distorted square pyramidal geometry.

  8. Controlled radical polymerization mediated by amine-bis(phenolate) iron(III) complexes.

    Science.gov (United States)

    Allan, Laura E N; MacDonald, Jarret P; Reckling, Amy M; Kozak, Christopher M; Shaver, Michael P

    2012-03-16

    Tetradentate amine-bis(phenolate) iron(III) halide complexes containing chloro substituents on the aromatic ring are extremely efficient catalysts for controlled radical polymerization. Molecular weights are in good agreement with theoretical values and polydispersity indexes (PDIs) are as low as 1.11 for styrene and methyl methacrylate polymerizations. Complexes containing alkyl substituents on the aromatic ring are less efficient. Kinetic data reveal activity for styrene polymerization among the fastest reported to date and initial studies implicate a multimechanism system. Despite the highly colored polymerization media, simple work-up procedures yield pure white polymers. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Synthesis, characterization and antioxidant study of N,N’-bis(2-chlorobenzamidothiocarbonyl)hydrazine

    Energy Technology Data Exchange (ETDEWEB)

    Firdausiah, Syadza; Hasbullah, Siti Aishah; Yamin, Bohari M. [School of Chemical Science and Food Technology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia)

    2015-09-25

    N,N’-bis(2-chlorobenzamidothiocarbonyl)hydrazine was synthesized from 2-chlorobenzoylisothiocyanate and hydrazine in acetone. The compound was characterized by infrared, {sup 1}H and {sup 13}C NMR, and UV-Vis spectroscopies. X-ray crystallography study showed the molecule adopt trans configuration at both N-N and C-N bonds. The compound showed high antioxidant activity, EC{sub 50} of 374.89 µM, compared to ascorbic acid (EC{sub 50} of 561.36 µM)

  10. Post-draw PAN-PMMA nanofiber reinforced and toughened Bis-GMA dental restorative composite.

    Science.gov (United States)

    Sun, Wei; Cai, Qing; Li, Peng; Deng, Xuliang; Wei, Yan; Xu, MingMing; Yang, Xiaoping

    2010-09-01

    The polyacrylonitrile (PAN)-poly(methyl methacrylate) (PMMA) core-shell nanofiber reinforced dental composites have been investigated for their excellent interface adhesive, and this kind of novel dental composite has the potential for clinical uses such as denture base resin and crown-bridge material. The first objective of this work was to determine the improving effect of tensile properties by post-drawing PAN-PMMA nanofibers membrane. The second objective was to examine the flexural strength (Fs), flexural modulus (Ey) and work of fracture (WOF) of Bis-GMA/TEGDMA composites reinforced with PAN-PMMA nanofibers. PAN(core)-PMMA(shell) nanofiber was made by an electrospinning setup with a high-speed rotating rod-like collector. The post-draw process was carried out at 120 degrees C for 5 min, and all the nanofiber membranes were elongated to the desired elongation ratio (30%, 60% or 100%). Tensile properties and flexural properties of both nanofiber membranes and nanofiber reinforced Bis-GMA/TEGDMA composites were investigated. A scanning electron microscope (SEM) was used to observe the fiber morphology and the fracture surface of the composite. A dynamic mechanical thermal analyzer (DMTA) was employed to determine the dynamic mechanical properties such as tandelta and E'. The post-drawing treatment significantly improved the tensile properties and fiber parallelism of nanofiber membranes. The addition of PAN-PMMA nanofibers into Bis-GMA/TEGDMA clearly showed the reinforcement effect; the flexural strength (Fs), flexural modulus (Ey) and work of fracture (WOF) kept rising with the nanofiber mass fraction changing from 0%, 0.6%, 0.8%, 1.0% to 1.2%. The flexural properties of composites reinforced with post-drawn nanofiber were further increased in comparison with those of untreated nanofiber reinforced ones. Also, the SEM observations of the fracture surface of the composites demonstrated good interfacial adhesion between fibers and resin. The post

  11. Defining the Electronic and Geometric Structure of One-Electron Oxidized Copper–Bis-phenoxide Complexes

    OpenAIRE

    Storr, Tim; Verma, Pratik; Pratt, Russell C.; Wasinger, Erik C.; Shimazaki, Yuichi; Stack, T. Daniel P.

    2008-01-01

    The geometric and electronic structure of an oxidized Cu complex ([CuSal]+; Sal = N, N′-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexane-(1R,2R)-diamine) with a non-innocent salen ligand has been investigated both in the solid state and in solution. Integration of information from UV–vis–NIR spectroscopy, magnetic susceptibility, electrochemistry, resonance Raman spectroscopy, X-ray crystallography, X-ray absorption spectroscopy, and density functional theory calculations provides critical ...

  12. Influence of sodium bis(2-ethylhexyl) sulfosuccinate (AOT) on zinc electrodeposition

    Energy Technology Data Exchange (ETDEWEB)

    Lehr, I.L. [Instituto de Ingenieria Electroquimica y Corrosion (INIEC), Departamento de Ingenieria Quimica, Universidad Nacional del Sur, Av. Alem 1253, 8000 Bahia Blanca (Argentina); Saidman, S.B., E-mail: ssaidman@criba.edu.ar [Instituto de Ingenieria Electroquimica y Corrosion (INIEC), Departamento de Ingenieria Quimica, Universidad Nacional del Sur, Av. Alem 1253, 8000 Bahia Blanca (Argentina)

    2012-03-01

    This work is a study of the electrodeposition of zinc onto SAE 4140 steel electrodes using solutions containing zinc sulfate and bis(2-ethylhexyl) sodium sulfosuccinate (AOT). The influence of different parameters such as electrolyte concentration, electrodeposition time and temperature on the morphology of the electrodeposits was analyzed. The deposits were characterized by scanning electron microscopy (SEM), energy dispersive X-ray (EDX) and X-ray diffraction. The variation of open circuit potential over time in chloride solutions was also evaluated. The nucleation-growth process and consequently the morphology of the electrodeposits are modified in the presence of AOT. The surfactant induces the formation of a porous deposit.

  13. New metal-organic complexes based on bis(tetrazole) ligands: Synthesis, structures and properties

    Science.gov (United States)

    Du, Ceng-Ceng; Fan, Jian-Zhong; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi

    2017-04-01

    In this paper, a series of new complexes, [Zn2(HL1)2(H2O)4]·H2O (1), [Co2(HL1)2]·TEA (2), [Co3(HL1)2(H2L1)2(H2O)4]n (3), [Cu(HL1)(H2O)2]n (4), {[Cu5(HL2)2(OH)4(ClO4)2]·4H2O}n (5) and [Cu2(L3)]n (6) were successfully prepared by utilizing three bis(tetrazole) ligands [bis-(1H-tetrazol-5-ylmethyl)-amine (H3L1), bis-(1H-tetrazol-5-ylethyl)-amine (H3L2) and 1,5-bis(5-tetrazolo)-3-thiapentane (H2L3)], all of which have been characterized by elemental analyses, FT-IR spectroscopy, powder X-ray diffraction (PXRD), thermogravimetric analyses as well as single-crystal X-ray diffraction analyses showing different dimensionalities (0D, 1D and 3D). Complexes 1 and 2 are 0D structures, 1 shows a dinuclear structure, 2 displays two crystallographically different mononuclear structures, 1 and 2 are further assembled to form 3D supramolecular framework and 2D supramolecular network by hydrogen-bonding interactions, respectively. Complexes 3, 4 and 5 are 1D structures, 3 features a mononuclear unit and a 1D chain, which are arranged into 3D supramolecular architecture by hydrogen-bonding interactions, 4 presents a zigzag chain, 5 shows an infinite chain structure constructed from pentanuclear Cu(II) subunits and ClO4- anions. Complex 6 exhibits a 3D coordination framework based on cyclic [Cu4(L3)2] dimmer subunits as nodes possessing an 8-connected network topology with the point symbol {424·64}. Further, semiconductor behaviors, the solid-state luminescent properties of the complexes 1-3 and 6 were measured and studied seriously at room temperature.

  14. Erwerbstätigkeit in den ländlichen Landkreisen in Deutschland 1995 bis 2008

    OpenAIRE

    Kriehn, Claudia

    2011-01-01

    Dieser Arbeitsbericht bietet einen Vergleich der Struktur und Entwicklung der Erwerbstätigkeit zwischen verschiedenen Typen von Landkreisen für die Jahre 1995 bis 2008. Im Fokus stehen Disparitäten zwischen ländlichen und nicht-ländlichen Landkreisen. Es ist unter anderem zu erkennen, dass in den alten Bundesländern die am dünnsten besiedelten ländlichen Kreise nicht mit der Zunahme der Erwerbstätigkeit in den übrigen Kreisen Schritt halten konnten. In den neuen Bundesländern ist bei den meis...

  15. Mono- and bis(pyrrolo)tetrathiafulvalene derivatives tethered to C60

    DEFF Research Database (Denmark)

    Vico Solano, Marta; Della Pia, Eduardo Antonio; Jevric, Martyn

    2014-01-01

    electronic communication between the MPTTF/BPTTF units and the C-60 moieties. In addition, femtosecond and nanosecond transient absorption spectroscopy revealed, rather surprisingly, that no charge transfer from the MPTTF/BPTTF units to the C-60 moieties takes place on excitation of the fullerene moiety......A series of mono- (MPTTF) and bis(pyrrolo) tetrathiafulvalene (BPTTF) derivatives tethered to one or two C-60 moieties was synthesized and characterized. The synthetic strategy for these dumbbell-shaped compounds was based on a 1,3-dipolar cycloaddition reaction between aldehyde...

  16. Tris{N-[bis(dimethylaminophosphinoyl]-2,2,2-trichloroacetamido}(triphenylphosphine oxideholmium(III

    Directory of Open Access Journals (Sweden)

    Oleksiy V. Amirkhanov

    2010-06-01

    Full Text Available In the title compound, [Ho(C6H12Cl3N3O2P3(C18H15OP], the HoIII ion is surrounded by six O atoms from the three bidentate N-[bis(dimethylaminophosphinoyl]-2,2,2-trichloroacetamido ligands (L− and by one O atom from the triphenylphosphine oxide ligand, with the formation of a distorted monocapped octahedron. In one ligand L−, the trichloromethyl group is rotationally disordered between two orientations in a 1:1 ratio, while two dimethylamino groups in another ligand L− are disordered between two conformations, each with the same 1:1 ratio.

  17. El non bis in idem en el ámbito administrativo sancionador

    OpenAIRE

    María Lourdes Ramírez Torrado

    2013-01-01

    El estudio del Derecho Administrativo sancionador como área autónoma del derecho es una idea relativamente reciente, ya que esta rama del saber, hasta hace poco tiempo, no tenía vida propia y, por el contrario, se apoyaba en el derecho penal. El principio non bis in ídem, no es una excepción, ello se evidencia en que la legislación que se encarga de la actividad sancionadora no aborda la problemática derivada del principio en el sector estrictamente administrativo. De ahí el valor que tienen ...

  18. Diazido{(S-1-phenyl-N,N-bis[(2-pyridylmethyl]ethanamine}copper(II

    Directory of Open Access Journals (Sweden)

    Sankara Rao Rowthu

    2011-07-01

    Full Text Available In the title compound, [Cu(N32(C20H21N3], the CuII ion is coordinated by the three N atoms of the (S-1-phenyl-N,N-bis[(2-pyridylmethyl]ethanamine ligand and two N atoms from two azide anions, resulting in a distorted square-pyramidal environment. A weak intermolecular C—H...N hydrogen-bonding interaction between one pyridine group of the ligand and an azide N atom of an adjacent complex unit gives a one-dimensional chain structure parallel to the c axis.

  19. Synthesis and antifungal activity of new bis-{gamma}-lactones analogous to avenaciolide

    Energy Technology Data Exchange (ETDEWEB)

    Magaton, Andreia da Silva; Rubinger, Mayura M. M.; Macedo Junior, Fernando C. de [Vicosa Univ., MG (Brazil). Dept. de Quimica]. E-mail: mayura@ufv.br; Zambolim, Laercio [Vicosa Univ., MG (Brazil). Dept. de Fitopatologia

    2007-03-15

    In a study of the antifungal activity of selected compounds as potentials agrochemicals, we have prepared and characterized by elemental analyses, infrared and NMR spectroscopies three new bis-{gamma}-lactones analogous to avenaciolide, where the octyl group of this natural product was replaced by heptyl, hexyl and pentyl groups. The effects on the mycelia development and conidia germination of Colletotrichum gloesporioides of these compounds and their synthetic precursors were evaluated in vitro. The title compounds were active in the tested conditions, while all the synthetic precursors were inactive. The preparation and characterization of 15 new synthetic intermediates are also described. (author)

  20. Studies on the optical, thermal and electrical properties of Bis(thiourea) cadmium formate NLO crystals

    Energy Technology Data Exchange (ETDEWEB)

    Ravi Kumar, S.M. [Department of Physics, Loyola College, Chennai 600 034 (India); Melikechi, N. [Department of Physics and Pre-Engineering, Centre for Research and Education in Optical Sciences and Applications, Delaware State University, Dover DE 19901 (United States); Selvakumar, S. [Department of Physics, L. N. Government College, Ponneri 601 204 (India); Sagayaraj, P. [Department of Physics, Loyola College, Chennai 600 034 (India)], E-mail: psagayaraj@hotmail.com

    2008-12-15

    Growth of bis(thiourea) cadmium formate (BTCF) single crystals by slow evaporation technique has been reported. The grown crystals are characterized by powder XRD technique. Surface morphology of BTCF was studied by scanning electron microscopy (SEM). The UV-vis-IR spectrum confirms the cut-off wavelength of the sample around 290 nm with a wide optical transmission window (290-2000 nm). The laser damage threshold of BTCF is found to be higher than that of KDP. The thermal studied by TGA and DTA techniques confirm the decomposition of the sample around 190 deg. C. The dc conductivity study shows that the conductivity of BTCF increases with temperature.

  1. Growth and characterization of pure and doped bis(thiourea) cadmium acetate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Selvakumar, S. [Department of Physics, Sathyabama University, Chennai 600119 (India); Kumar, S.M. Ravi [Department of Physics, Loyola College, Chennai 600034 (India); Joseph, Ginson P. [Department of Physics, Loyola College, Chennai 600034 (India); Rajarajan, K. [Department of Physics, Loyola College, Chennai 600034 (India); Madhavan, J. [Department of Physics, Loyola College, Chennai 600034 (India); Rajasekar, S.A. [Department of Physics, Vellore Institute of Technology, Vellore 632014 (India); Sagayaraj, P. [Department of Physics, Loyola College, Chennai 600034 (India)]. E-mail: psagayaraj@hotmail.com

    2007-05-15

    Single crystals of pure and Zn{sup 2+} doped bis(thiourea) cadmium acetate (BTCA) were grown by slow solvent evaporation technique. The grown crystals were confirmed by single crystal XRD. The metal coordination with thiourea through sulphur in both pure and doped BTCA was ascertained by FTIR studies. The optical transmission spectra of pure and doped BTCA crystals were recorded and the results are discussed. The thermal decomposition of pure and doped BTCA crystals was investigated by means of thermogravimetric analysis (TGA). The dielectric response and photoconducting nature of the crystals were also investigated and reported.

  2. Preparation of {sup 166} Dy/{sup 166} Ho DTPA-bis biotin as a system of In vivo generator; Preparacion de {sup 166} Dy/{sup 166} Ho DTPA-bis biotina como un sistema de generador In vivo

    Energy Technology Data Exchange (ETDEWEB)

    Jimenez V, M.R

    2003-07-01

    The objective of this work was to synthesize the complex {sup 166} Dy/{sup 166} Ho - diethylen triamine pentaacetic-bis Biotin ({sup 166} Dy/{sup 166} Ho DTPA-bis Biotin) to evaluate its potential as a new radiopharmaceutical in directed radiotherapy. The Dysprosium-166 was obtained for neutron irradiation of {sup 164} Dy{sub 2}0{sub 3} in the TRIGA Mark III reactor. The labelled was carried out in aqueous solution to p H 8.0 for addition of {sup 166} Dy Cl{sub 3} to the diethylen triamine pentaacetic-{alpha}, {omega}-bis Biotin (DTPA-bis Biotin). The radiochemical purity was determined for HPLC and ITLC. The biological integrity of the marked biotin is evaluated by the biological recognition of the avidin for HPLC - molecular exclusion with and without avidin addition. The studies of stability in vitro were made in dilutions of saline solution to 0.9% and with human serum at 37 C incubated 1 and 24 hours. The complex {sup 166} Dy/{sup 166} Ho DTPA-bis Biotin was obtained with a radiochemical purity of 99.1 {+-} 0.6%. The biological recognition of the complex {sup 166} Dy/{sup 166} Ho DTPA-bis Biotin for the avidin it doesn't affect the labelling procedure. The studies in vitro demonstrated that the {sup 166} Dy/{sup 166} Ho DTPA-bis Biotin is stable after the dilution in saline solution and in human serum that there is not translocation of the one radionuclide subsequent son to the beta decay of the {sup 166} Dy that could produce the {sup 166} Ho{sup 3+} liberation. The studies of Biodistribution in healthy mice demonstrated that the one complex {sup 166} Dy/{sup 166} Ho DTPA-bis Biotin have a high renal distribution. In conclusion the radiolabelled biotin in this investigation has the appropriate properties to be used as an In vivo generator system stable for directed radiotherapy. (Author)

  3. Steric and electronic parameters of a bulky yet flexible N-heterocyclic carbene: 1,3-bis(2,6-bis(1-ethylpropyl)phenyl)imidazol-2-ylidene (IPent)

    KAUST Repository

    Collado, Alba

    2013-06-10

    The free N-heterocyclic carbene IPent (1; IPent = 1,3-bis(2,6-bis(1- ethylpropyl)phenyl)imidazol-2-ylidene) was prepared from the corresponding imidazolium chloride salt (2). The steric and electronic parameters of 1 were determined by synthesis of the gold(I) chloride complex [Au(IPent)Cl] (3) and the nickel-carbonyl complex [Ni(IPent)(CO)3] (4), respectively. 3 and 4 were fully characterized by NMR spectroscopy, elemental analysis, and X-ray diffraction studies on single crystals. © 2013 American Chemical Society.

  4. Rational Design Synthesis and Evaluation of New Selective Inhibitors of Microbial Class II (Zinc Dependent) Fructose Bis-phosphate Aldolases

    Energy Technology Data Exchange (ETDEWEB)

    R Daher; M Coincon; M Fonvielle; P Gest; M Guerin; M Jackson; J Sygusch; M Therisod

    2011-12-31

    We report the synthesis and biochemical evaluation of several selective inhibitors of class II (zinc dependent) fructose bis-phosphate aldolases (Fba). The products were designed as transition-state analogues of the catalyzed reaction, structurally related to the substrate fructose bis-phosphate (or sedoheptulose bis-phosphate) and based on an N-substituted hydroxamic acid, as a chelator of the zinc ion present in active site. The compounds synthesized were tested on class II Fbas from various pathogenic microorganisms and, by comparison, on a mammalian class I Fba. The best inhibitor shows Ki against class II Fbas from various pathogens in the nM range, with very high selectivity (up to 105). Structural analyses of inhibitors in complex with aldolases rationalize and corroborate the enzymatic kinetics results. These inhibitors represent lead compounds for the preparation of new synthetic antibiotics, notably for tuberculosis prophylaxis.

  5. Effect of Lead substitution on LaO0.5F0.5BiS2

    Science.gov (United States)

    Otsuki, Satoshi; Demura, Satoshi; Sakai, Yuuto; Fujisawa, Yuita; Sakata, Hideaki

    2018-02-01

    We examined Lead (Pb) Substitution effect on a single crystal of a layered superconductor LaO0.5F0.5BiS2. Pb concentration dependence of the lattice constant showed slight anomaly at about 8% and 9% substitution of Pb for Bi. These samples showed the enhancement of the superconducting transition temperature and the superconducting volume fraction. Furthermore, these samples showed the anomaly in the temperature dependence of the resistivity at about 150 K. These results were not observed in Pb substituted NdO0.7F0.3BiS2. Therefore, the enhancement of the superconducting properties by Pb substitution is related to the structural instability for the pale perturbation in LaO0.5F0.5BiS2.

  6. Perioperative Use of Bispectral Monitor (BIS) for a Pressure Ulcer patient with Lock-In Syndrome (LIS)

    Science.gov (United States)

    Yoo, Christine; Ayello, Elizabeth A.; Robins, Bryan; Salamanca, Victor R.; Bloom, Marc J.; Linton, Patrick; Brem, Harold; O'Neill, Daniel K.

    2013-01-01

    The bispectral (BIS) monitor uses brain electroencephalographic data to measure depth of sedation and pharmacological response during anesthetic procedures. In this case, the BIS monitor was used for another purpose, to demonstrate postoperatively to the nursing staff that a patient with history of locked-in syndrome (LIS), who underwent pressure ulcer debridement, had periods of wakefulness and apparent sensation, even with his eyes closed. Furthermore, as patients with LIS can feel pain, despite being unable to move, local block or general anesthesia should be provided for sharp surgical debridement and other painful procedures. This use of the BIS has shown that as a general rule, the staff should treat the patient as though he might be awake and sensate even if he does not open his eyes or move his limbs. Our goal was to continuously monitor pain level and communicate these findings to the entire wound team, ie anesthesiologists, surgeons, and nurses. PMID:25252146

  7. Bis[(lprolinate-N,O]Zn: A water-soluble and recycle catalyst for various organic transformations

    Directory of Open Access Journals (Sweden)

    Roona Poddar

    2017-05-01

    Full Text Available Under the green chemistry perspective, bis[(lprolinate-N,O]Zn (also called zinc–proline or Zn[(l-pro]2 has proven its competence as a promising alternative in a plethora of applications such as catalyst or promoter. Owing to its biodegradable and non-toxic nature of bis[(lprolinate-N,O]Zn, it is being actively investigated as a water soluble green catalyst for synthetic chemistry. Bis[(lprolinate-N,O]Zn are readily utilized under mild conditions and have high selectivity and reactivity with broad range of substrate acceptance to make it better reaction medium for a wide variety of organic transformations. This Review summarizes the till date literature on its synthesis, characterization, and its catalytic role in various organic reactions.

  8. trans-Bis[4-amino-3,5-bis(2-pyridyl-4H-1,2,4-triazole-κN3]diaquacobalt(II bis(3-carboxy-5-nitrobenzoate

    Directory of Open Access Journals (Sweden)

    Cheng-Peng Li

    2011-10-01

    Full Text Available The title complex, [Co(C12H10N62(H2O2](C8H4NO62, is composed of a mononuclear cobalt(II cation and two 3-carboxy-5-nitrobenzoate anions for charge balance. In the cation, the CoII atom is six-coordinated in a distorted octahedral geometry. It bonds to two O atoms of two water molecules, and two pairs of N atoms from two 4-amino-3,5-bis(2-pyridyl-4H-1,2,4-triazole molecules, which behave as bidentate chelating ligands. There are intramolecular N—H...N hydrogen bonds in the cation. In the crystal, there are a number of intermolecular N—H...O and O—H...O hydrogen bonds, as well as intermolecular π–π stacking interactions [centroid–centroid distances = 3.657 (2 and 3.847 (2 Å], that link the molecules into two-dimensional networks lying parallel to the ab plane. The presence of C—H...O interactions leads to the formation of a three-dimensional network.

  9. Carbon-Oxygen Bond Cleavage by Bis(imino)pyridine Iron Compounds : Catalyst Deactivation Pathways and Observation of Acyl C-O Bond Cleavage in Esters

    NARCIS (Netherlands)

    Trovitch, Ryan J.; Lobkovsky, Emil; Bouwkamp, Marco W.; Chirik, Paul J.

    2008-01-01

    Investigations into the substrate scope of bis(imino)pyridine iron-catalyzed hydrogenation and [2 pi + 2 pi]. diene cyclization reactions identified C-O bond cleavage as a principal deactivation pathway. Addition of diallyl or allyl ethyl ether to the bis(imino)pyridine iron dinitrogen complex,

  10. Characterization of BIS20x3, a bi-specific antibody activating and retargeting T-cells to CD20-positive B-cells

    NARCIS (Netherlands)

    Withoff, S; Bijman, MNA; Stel, AJ; Delahaye, L; Calogero, A; de Jonge, MWA; Kroesen, BJ; de Leij, L

    2001-01-01

    This paper describes a bi-specific antibody, which was called BIS20x3. It retargets CD3 epsilon -positive cells (T-cells) to CD20-positive cells and was obtained by hybrid-hybridoma fusion. BIS20x3 could be isolated readily from quadroma culture supernatant and retained all the signalling

  11. The role of B cell-mediated T cell costimulation in the efficacy of the T cell retargeting bispecific antibody BIS20x3

    NARCIS (Netherlands)

    Stel, AJ; Kroesen, BJ; Jacobs, Susan; Groen, H; de Leij, LFMH; Kluin-Nelemans, HC; Withoff, S

    2004-01-01

    In this study, we investigated the role of the naturally occurring B cell-mediated T cell costimulation in the antitumor efficacy of the bispecific Ab BIS20x3. BIS20x3 has a dual specificity for both CD20 and CD3 and has previously been shown to effectively direct the lytic potential of cytolytic T

  12. Estudio in vitro de la actividad citotóxica de resinas dentales tipo BIS-GMA

    OpenAIRE

    Ríos, M.; Cepero, J.; Krael, R.; Davidenko, N.; González, A.

    2003-01-01

    Las resinas composites se emplean desde hace varias décadas en distintas aplicaciones estomatológicas, volviéndose indispensables para lograr una alta calidad en los servicios modernos. Uno de los monómeros acrílicos más utilizados en estos materiales poliméricos de recubrimiento es el 2-bis-[p-(2-hidroxi-3-metacriloxipropoxi) fenil] propano, conocido comúnmente como Bis- GMA. El conocimiento de las interacciones de estos materiales con el sistema biológico es de vital importan...

  13. Process for manufacturing bis(2-methoxyethyl)-2,3,6,7-tetracyano-1,4,5,8,9,10-hexazaanthracene

    Science.gov (United States)

    Rasmussen, Paul George; Lawton, Richard Graham

    2014-06-03

    A process to manufacture substituted tetracyano-hexaazatricyclics with the substitutions occurring at the 9 and 10 hydrogens. The process begins with 2,3-dichloro-5,6-dicyanopyrazine, which is reacted to form the desired tetracyano-hexaazatricyclic. Different process embodiments enable different reaction paths to the desired tetracyano-hexaazatricyclic. Different tetracyano-hexaazatricyclic embodiments include bis(2-methoxyethyl)-2,3,6,7-tetracyano-1,4,5,8,9,10-hexazaanthracene and bis(2-methoxyethoxyethyl)-2,3,6,7-tetracyano-1,4,5,8,9,10-hexazaanthracen- e.

  14. Tuning the microstructures of decavanadate-based supramolecular hybrids via regularly changing the spacers of bis(triazole) ligands

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Mo; Sun, Wenlong [Key Laboratory of Green Chemical Engineering and Technology of College of Heilongjiang Province, College of Chemical and Environmental Engineering, Harbin University of Science and Technology, Harbin 150040 (China); Pang, Haijun, E-mail: panghj116@163.com [Key Laboratory of Green Chemical Engineering and Technology of College of Heilongjiang Province, College of Chemical and Environmental Engineering, Harbin University of Science and Technology, Harbin 150040 (China); Ma, Huiyuan, E-mail: mahy017@163.com [Key Laboratory of Green Chemical Engineering and Technology of College of Heilongjiang Province, College of Chemical and Environmental Engineering, Harbin University of Science and Technology, Harbin 150040 (China); Yu, Jia [Key Laboratory of Green Chemical Engineering and Technology of College of Heilongjiang Province, College of Chemical and Environmental Engineering, Harbin University of Science and Technology, Harbin 150040 (China); College of Aerospace and Civil Engineering, Harbin Engineering University, Harbin 150001 (China); Zhang, Zhuanfang; Niu, Ying [Key Laboratory of Green Chemical Engineering and Technology of College of Heilongjiang Province, College of Chemical and Environmental Engineering, Harbin University of Science and Technology, Harbin 150040 (China); Yin, Mingming [Jiamusi Electric Machine Co., Ltd., 766 Guangfu Road, Jiamusi City 154002 (China)

    2016-03-15

    With tuning the ligands from bte, btp, btb to bth, four new decavanadate-based metal–organic hybrid compounds, [Zn(bte)(H{sub 2}O){sub 4}][Zn{sub 2}(bte)(H{sub 2}O){sub 10}](V{sub 10}O{sub 28})·8H{sub 2}O, [Zn{sub 2}(btp){sub 4}(H{sub 2}O){sub 6}](H{sub 2}V{sub 10}O{sub 28})·4H{sub 2}O, [Zn(H{sub 2}O){sub 6}][Zn{sub 2}(btb){sub 2}V{sub 10}O{sub 28}(H{sub 2}O){sub 6}]·4H{sub 2}O, and [Zn{sub 2}(bth)(H{sub 2}O){sub 10}](H{sub 2}V{sub 10}O{sub 28})·6H{sub 2}O (bte=1,2-bis(1,2,4-triazol-1-yl)ethane, btp=1,3-bis(1,2,4-triazol-1-y1)propane, btb=1,4-bis(1,2,4-triazol-1-y1)butane, bth=1,6-bis(1,2,4-triazol-1-y1)hexane), have been synthesized under conventional conditions. The four compounds represent the first examples of decavanadate-based metal–organic hybrids constructed by Zn–bis(triazole) complexes. Their structural analyses show that the four compounds possess different Zn–bis(triazole) structural motifs and various finally structures, which verifies that regular changing the spacers of ligands is an effective strategy to tuning the structures of polyoxometalate-based hybrids. Also, the electrochemical studies show that the compounds have good electrocatalytic activities towards oxidation of nitrite molecules ascribed to V-centers. - Graphical abstract: Four compounds representing the first examples of V{sub 10}O{sub 28}-based hybrids constructed by Zn–bis(triazole) complexes have been synthesized by changing the spacers of the ligands and their electrocatalytic properties have been investigated. - Highlights: • The first examples of V{sub 10}O{sub 28}-based hybrids constructed by Zn-bis(triazole) complexes. • Verifying that changing the spacers of ligands is a strategy to tuning structures. • Showing good electrocatalytic activities toward oxidation of nitrite molecules.

  15. [Bis(TrimethylsilylMethyl]Lithium and -Sodium: Solubility in Alkanes and Complexes with O- and N- Donor Ligands

    Directory of Open Access Journals (Sweden)

    Markus von Pilgrim

    2017-06-01

    Full Text Available In contrast to alkyl compounds of lithium, which play an important role in organometallic chemistry, the corresponding heavier alkali metal compounds are less investigated. These compounds are mostly insoluble in inert solvents or undergo solvolysis in coordinating solvents due to their high reactivity. An exception from this typical behavior is demonstrated by bis(trimethylsilylmethylsodium. This study examines alkane solutions of bis(trimethylsilylmethyllithium and -sodium by NMR spectroscopic and cryoscopic methods. In addition, structural studies by X-ray crystallography of the corresponding compounds coordinated by O- and N- ligands (tetrahydrofuran and tetramethylethylenediamine present possible structural motifs of the uncoordinated compounds in solution.

  16. PROPIEDADES PSICOMÉTRICAS DE LA ESCALA BIS/BAS EN UNA MUESTRA DE ESTUDIANTES UNIVERSITARIOS MEXICANOS

    OpenAIRE

    Marco Antonio Pulido Rull; Liliana Rivera Fong; Alejandro Fondón Mora; Perla Vázquez Pérez

    2016-01-01

    El objetivo de este trabajo fue determinar la estructura factorial, validez predictiva y consistencia interna de la Escala BIS/BAS de Carver y White en una muestra de estudiantes universitarios mexicanos. Participaron 669 universitarios de la Ciudad de México, quienes contestaron una batería compuesta por la Escala BIS/BAS, la Escala de Tamizaje de Abuso de Cannabis, la escala de tamizaje de abuso de drogas (dast-10) y la Escala de Estrés en Estudiantes Universitarios Revisada (SEEU-R). Los r...

  17. Metal and Ligand Effects on the Construction of Divalent Coordination Polymers Based on bis-Pyridyl-bis-amide and Polycarboxylate Ligands

    Directory of Open Access Journals (Sweden)

    Miao-Ning Chang

    2017-12-01

    Full Text Available Ten coordination polymers constructed from divalent metal salts, polycarboxylic acids, and bis-pyridyl-bis-amide ligands with different donor atom positions and flexibility are reported. They were structurally characterized by single-crystal X-ray diffraction. The ten coordination polymers are as follows: (1 {[Ni(L1(3,5-PDA(H2O3]·2H2O}n (L1 = N,N′-di(3-pyridylsuberoamide, 3,5-H2PDA = 3,5-pyridinedicarboxylic acid; (2 {[Ni2(L12(1,3,5-HBTC2(H2O4]·H2O}n (1,3,5-H3BTC = 1,3,5-benzenetricarboxylic acid; (3 {[Ni(L2(5-tert-IPA(H2O2]·2H2O}n (L2 = N,N′-di(3-pyridyladipoamide, 5-tert-H2IPA = 5-tert-butylisophthalic acid; (4 [Ni(L31.5(5-tert-IPA]n (L3 = N,N′-di(4-pyridyladipoamide; (5 [Co(L1(1,3,5-HBTC(H2O]n; (6 {[Co3(L13(1,3,5-BTC2(H2O2]·6H2O}n; (7 [Cu(L4(AIPA]n (L4 = N,N′-bis(3-pyridinylterephthalamide, H2AIPA = 5-acetamido isophthalic acid; (8 {[Cu(L20.5(AIPA]·MeOH}n; (9 {[Zn(L4(AIPA]·2H2O}n; and (10 {[Zn(L2(AIPA]·2H2O}n. Complex 1 forms a 1D chain and 2 is a two-fold interpenetrated 2D layer with the sql topology, while 3 is a 2D layer with the hcp topology and 4 shows a self-catenated 3D framework with the rare (42·67·8-hxg-d-5-C2/c topology. Different Co/1,3,5-H3BTC ratios were used to prepare 5 and 6, affording a 2D layer with the sql topology and a 2D layer with the (4·852(42(832(8 topology that can be further simplified to an hcp topology. While complex 7 is a 2D layer with the (42·67·8(42·6-3,5L2 topology and 8 is a 2-fold interpenetrated 3D framework with the pcu topology, complexes 9 and 10 are self-catenated 3D frameworks with the (424·64-8T2 and the (44·610·8-mab topologies, respectively. The effects of the identity of the metal center, the ligand isomerism, and the flexibility of the spacer ligands on the structural diversity of these divalent coordination polymers are discussed. The luminescent properties of 9 and 10 and their photocatalytic effects on the degradation of dyes are also investigated.

  18. A one-dimensional HgII coordination polymer based on bis(pyridin-3-ylmethylsulfane

    Directory of Open Access Journals (Sweden)

    Suk-Hee Moon

    2017-12-01

    Full Text Available The reaction of mercury(II chloride with bis(pyridin-3-ylmethylsulfane (L, C12H12N2S in methanol afforded the title crystalline coordination polymer catena-poly[[dichloridomercury(II]-μ-bis(pyridin-3-ylmethylsulfane-κ2N:N′], [HgCl2L]n. The asymmetric unit consists of one HgII cation, one L ligand and two chloride anions. Each HgII ion is coordinated by two pyridine N atoms from separate L ligands and two chloride anions. The metal adopts a highly distorted tetrahedral geometry, with bond angles about the central atom in the range 97.69 (12–153.86 (7°. Each L ligand bridges two HgII ions, forming an infinite –(Hg–Ln– zigzag chain along the b axis, with an Hg...Hg separation of 10.3997 (8 Å. In the crystal, adjacent chains are connected by intermolecular C—H...Cl hydrogen bonds, together with Hg—Cl...π interactions [chloride-to-centroid distance = 3.902 (3 Å], that form between a chloride anion and the one of the pyridine rings of L, generating a two-dimensional layer extending parallel to (101. These layers are further linked by intermolecular C—H...π hydrogen bonds, forming a three-dimensional supramolecular network.

  19. A redox active and electrochemiluminescent threading bis-intercalator and its applications in DNA assays.

    Science.gov (United States)

    Xie, Hong; Tansil, Natalia C; Gao, Zhiqiang

    2006-01-01

    A redox active and electrochemiluminescent (ECL) threading bis-intercalator, consisting of two N,N'-bis(3-propyl-imidazole)-1,4,5,8-naphthalene diimides (PIND) linked by a Ru(dmbpy)2(2+) (dmbpy = 4,4'-dimethyl-2,2'-bipyridine) complex (PIND-Ru-PIND), was synthesized for the first time. Its optical, electrochemical, and ECL properties were studied. UV-vis spectrophotometric measurements indicated that the two PIND groups bind to the double-stranded DNA (ds-DNA) in a threading intercalation mode, while the Ru(dmbpy)2(2+) reinforces the intercalation via electrostatic interaction with ds-DNA. An ECL DNA biosensor was fabricated using PIND-Ru-PIND. A 2000-fold sensitivity enhancement over direct voltammetry was obtained, making this an ultrasensitive system for ECL detection of DNA. Under optimized conditions, the biosensor allowed the detection of a target DNA in the range of 0.70-400 pM with a detection limit of 400 fM.

  20. Carbene stabilized interconnected bis-germylene and its silicon analogue with small methyl substituents.

    Science.gov (United States)

    Kundu, Subrata; Samuel, Prinson P; Luebben, Anna; Andrada, Diego M; Frenking, Gernot; Dittrich, Birger; Roesky, Herbert W

    2017-06-28

    The cyclic alkyl(amino) carbene (cAAC) [:C{N-C 6 H 3 (2,6-IPr 2 )}(CMe 2 ) 2 CH 2 ] stabilized MeGeGeMe has been isolated in the molecular form with composition (cAAC)MeGe-GeMe(cAAC) (1) at room temperature. Compound 1 was synthesized from the reduction of MeGeCl 3 using three equivalents of KC 8 in the presence of one equivalent of cAAC. The corresponding silicon compound (cAAC)MeSi-SiMe(cAAC) (2) was also prepared. Compounds 1 and 2 are the first examples of REER compounds (E = Ge, Si) carrying the smallest organic group. Furthermore the structures of compounds 1 and 2 have been investigated by using theoretical methods. The theoretical analysis of the structure of 1 is in agreement with the formation as an unprecedented carbene stabilized bis-germylene whereas compound 2 can be equally described as carbene stabilized bis-silylene with coordinate bonds as with classical double bonds of a 2,3-disila-1,3-butadiene. The compounds were also characterized by X-ray crystallography.

  1. Synthesis and spectral studies of copper complexes using a N-octylated bis benzimidazole diamide ligand

    Science.gov (United States)

    Mohapatra, Subash Chandra; Mathur, Pavan

    2011-02-01

    Monomeric Cu(II) and Cu(I) complexes bound to a tetradentate bis-benzimidazole diamide ligand N,N'-bis(N-octyl benzimidazolyl-2yl)(methyl)pentane diamide (O-GBGA) have been isolated and characterized. X-Band EPR spectra of the copper(II) complexes in CH 2Cl 2 were recorded in a frozen solution as solvent at liquid nitrogen temperature. Solution spectra typically indicate a d ground state ( g|| > g⊥ > 2.0023) and show less than four nuclear hyperfine lines with broadening of g⊥ line in some cases, thus indicating distorted tetragonal geometry. One of the copper(II) complexes shows a five line N-SHF structure (16 ± 1 G) implying the binding of imine nitrogen of the benzimidazole to copper ion. α2 ranges from 0.57-0.97 indicating considerable amount of covalent character in Cu-L bond. Anodic shifts in E1/2 values indicate the retention of anion in the coordination sphere of Cu(II), E1/2 values becoming anodic in the order C 6H 5COO - complexes was found to be lower than that of the ligand O-GBGA ( Φ = 0.029) and the relative fluorescence data reveals that fluorescence of such compounds could distinguish between small and large anions.

  2. A tetrasilver(Iditungsten(VI cluster with sulfide and bis(diphenylphosphinomethane ligands

    Directory of Open Access Journals (Sweden)

    Cun-Lin Zhang

    2010-10-01

    Full Text Available The asymmetric unit of the title complex, [Ag4W2S8(C25H22P23]·2C3H7NO, tris[μ2-bis(diphenylphosphinomethane]-3:6κ2P:P′;4:5κ2P:P′;5:6κ2P:P′-μ5-sulfido-2:3:4:5:6κ5S-μ3-sulfido-1:3:4κ3S-tetra-μ2-sulfido-1:3κ2S;1:4κ2S;2:5κ2S;2:6κ2S-disulfido-1κS,2κS-tetrasilver(Iditungsten(VI N,N-dimethylformamide disolvate, contains two [WS4]2− anions, four silver cations, three bidentate–bridging bis(diphenylphosphinomethane (dppm ligands and two N,N-dimethylformamide (DMF solvent molecules. The coordination geometry of each Ag atom is distorted tetrahedral. Two Ag ions are coordinated by μ2-S and μ5-S atoms, and by two P atoms from two dppm ligands, while the other two Ag atoms are coordinated by μ2-S, μ3-S and μ5-S atoms, and by one P atom from a dppm ligand.

  3. Degradation of the blister agent sulfur mustard, bis(2-chloroethyl) sulfide, on concrete.

    Science.gov (United States)

    Brevett, Carol A S; Sumpter, Kenneth B; Wagner, George W; Rice, Jeffrey S

    2007-02-09

    The products formed from the degradation of the blister agent sulfur mustard [bis(2-chloroethyl) sulfide] on concrete were identified using gas chromatography with mass spectrometry detection (GC/MSD), (1)H NMR, 2D (1)H-(13)C NMR and (13)C solid state magic angle spinning (SSMAS) NMR. In situ and extraction experiments were performed. Sulfur mustard was detected in the in situ (13)C SSMAS samples for 12 weeks, whereas less than 5% of the sulfur mustard was detected in extracts from the concrete monoliths after 8 days. Sulfonium ions and (2-chloroethylthio)ethyl ether (T) were observed on the in situ samples after a period of 12 weeks, whereas vinyl species and bis(2-chloroethyl) sulfoxide were observed in the extracts of the concrete monoliths within 24h. The differences between the extraction and the SSMAS data indicated that the sulfur mustard existed in the concrete in a non-extractable form prior to its degradation. Extraction methods alone were not sufficient to identify the products; methods to identify the presence of non-extractable degradation products were also required.

  4. Degradation of the blister agent sulfur mustard, bis(2-chloroethyl) sulfide, on concrete

    Energy Technology Data Exchange (ETDEWEB)

    Brevett, Carol A.S. [GEO-CENTERS Operations, SAIC, Gunpowder Branch, P.O. Box 68, APG, MD 21010-0068 (United States)]. E-mail: carol.brevett@us.army.mil; Sumpter, Kenneth B. [CDR USA RDECOM, ATTN: AMSRD-ECB-RT-PD, 5183 Blackhawk Road, Aberdeen Proving Ground, MD 21010-5424 (United States)]. E-mail: kenneth.sumpter@us.army.mil; Wagner, George W. [CDR USA RDECOM, ATTN: AMSRD-ECB-RT-PD, 5183 Blackhawk Road, Aberdeen Proving Ground, MD 21010-5424 (United States)]. E-mail: george.wagner@us.army.mil; Rice, Jeffrey S. [CDR USA RDECOM, ATTN: AMSRD-ECB-RT-PD, 5183 Blackhawk Road, Aberdeen Proving Ground, MD 21010-5424 (United States)]. E-mail: jeffrey.rice@us.army.mil

    2007-02-09

    The products formed from the degradation of the blister agent sulfur mustard [bis(2-chloroethyl) sulfide] on concrete were identified using gas chromatography with mass spectrometry detection (GC/MSD), {sup 1}H NMR, 2D {sup 1}H-{sup 13}C NMR and {sup 13}C solid state magic angle spinning (SSMAS) NMR. In situ and extraction experiments were performed. Sulfur mustard was detected in the in situ {sup 13}C SSMAS samples for 12 weeks, whereas less than 5% of the sulfur mustard was detected in extracts from the concrete monoliths after 8 days. Sulfonium ions and (2-chloroethylthio)ethyl ether (T) were observed on the in situ samples after a period of 12 weeks, whereas vinyl species and bis(2-chloroethyl) sulfoxide were observed in the extracts of the concrete monoliths within 24 h. The differences between the extraction and the SSMAS data indicated that the sulfur mustard existed in the concrete in a non-extractable form prior to its degradation. Extraction methods alone were not sufficient to identify the products; methods to identify the presence of non-extractable degradation products were also required.

  5. Organometallic mediated radical polymerization of vinyl acetate using bis(imino)pyridine vanadium trichloride complexes.

    Science.gov (United States)

    Perry, Mitchell R; Allan, Laura E N; Decken, Andreas; Shaver, Michael P

    2013-07-07

    The synthesis and characterization of one novel proligand and six novel vanadium(III) trichloride complexes is described. The controlled radical polymerization activity towards vinyl acetate of these, and eight other bis(imino)pyridine vanadium trichloride complexes previously reported, is investigated. Those complexes possessing variation at the N-aryl para-position with no steric protection offered by ortho-substituents (4 examples) result in poor control over poly(vinyl acetate) polymerization. Control is improved with increasing steric bulk at the ortho-position of the N-aryl substituent (4 examples) although attempts to increase steric bulk past isopropyl were unsuccessful. Synthesizing bis(imino)pyridine vanadium trichloride complexes with substituted imine backbones restores polymerization control when aliphatic substituents are used (4 examples) but ceases to make any drastic improvements on catalyst lifetime. Modification of the polymerization conditions is also investigated, in an attempt to improve the catalyst lifetime. Expansion of the monomer scope to include other vinyl esters, particularly those derived from renewable resources, shows promising results.

  6. Bis-mixed-carbene ruthenium-thiolate-alkylidene complexes: synthesis and olefin metathesis activity.

    Science.gov (United States)

    Dahcheh, Fatme; Stephan, Douglas W

    2015-01-28

    A series of bis-carbene Ru-hydride species, including (IMes)(Im(OMe)2)(PPh3)RuHCl (1) and (SIMes)(Me2Im(OMe)2)(PPh3)RuHCl (2) were prepared and subsequently shown to react with aryl-vinyl-sulfides to give the bis-carbene-alkylidene complexes: Im(OMe)2(SIMes)RuCl(SR)(=CHCH3) (R = p-FC6H4 (3), p-(NO2)C6H4 (4)), Im(OMe)2(IMes)RuCl(=CHCH3)(SPh) (5), Me2Im(OMe)2(SIMes)RuCl(=CHCH3)(SPh) (6), Im(OMe)2(SIMes)(F5C6S)RuCl(=CHR) (R = C4H9 (9), C5H11 (10)). The activity of these species in the standard Grubbs' tests for ring-opening metathesis polymerization, ring-closing and cross-metathesis are reported. Although these thiolate derivatives are shown to exhibit modest metathesis activities, the reactivity is enhanced in the presence of BCl3.

  7. Gelation or molecular recognition; is the bis-(α,β-dihydroxy esters motif an omnigelator?

    Directory of Open Access Journals (Sweden)

    Peter C. Griffiths

    2010-11-01

    Full Text Available Understanding the gelation of liquids by low molecular weight solutes at low concentrations gives an insight into many molecular recognition phenomena and also offers a simple route to modifying the physical properties of the liquid. Bis-(α,β-dihydroxy esters are shown here to gel thermoreversibly a wide range of solvents, raising interesting questions as to the mechanism of gelation. At gelator concentrations of 5–50 mg ml−1, gels were successfully formed in acetone, ethanol/water mixtures, toluene, cyclohexane and chloroform (the latter, albeit at a higher gelator concentration. A range of neutron techniques – in particular small-angle neutron scattering (SANS – have been employed to probe the structure of a selection of these gels. The universality of gelation in a range of solvent types suggests the gelation mechanism is a feature of the bis-(α,β-dihydroxy ester motif, with SANS demonstrating the presence of regular structures in the 30–40 Å range. A correlation between the apparent rodlike character of the structures formed and the polarity of the solvent is evident. Preliminary spin-echo neutron scattering studies (SESANS indicated the absence of any larger scale structures. Inelastic neutron spectroscopy (INS studies demonstrated that the solvent is largely unaffected by gelation, but does reveal insights into the thermal history of the samples. Further neutron studies of this kind (particularly SESANS and INS are warranted, and it is hoped that this work will stimulate others to pursue this line of research.

  8. Pyridinolysis of Bis(N,N-dimethylamino) Phosphinic Chloride in Acetonitrile

    Energy Technology Data Exchange (ETDEWEB)

    Barai, Hasi Rani; Lee, Hai Whang [Inha University, Incheon (Korea, Republic of)

    2012-01-15

    The kinetic studies on the pyridinolysis of bis(N,N-dimethylamino) phosphinic chloride have been carried out in acetonitrile at 55.0 .deg. C. The free energy correlations for substituent X variations in the X-pyridines are biphasic concave upwards with a break point at X = H. A concerted S{sub N}2 mechanism is proposed with a change of the attacking direction of the X-pyridine from a frontside attack with the strongly basic pyridines to a backside attack with the weakly basic pyridines on the basis of greater β{sub X} value with more basic pyridines than with less basic pyridines. The kinetic studies of the pyridinolyses of tetracoordinated phosphorus have been studied extensively by this lab. In the present work, the nucleophilic substitution reactions of bis(N,N-dimethylamino) phosphinic chloride with substituted X-pyridines are investigated kinetically in acetonitrile (MeCN) at 55.0 ± 0.1 .deg. C (Scheme 1) to gain further systematic information into the reactivity and mechanism depending on the variation of the two ligands, as well as to compare with the relevant phosphinic chloride systems: dimethyl, diethyl, methyl phenyl, and diphenyl phosphinic chlorides on the basis of the magnitude of positive charge of the reaction center P atom, steric effects of the two ligands, and selectivity parameters. The numbering of the substrates follows the sequence of the summations of the Taft's steric constants of the two ligands.

  9. Successful Coupling of a Bis-Amidoxime Uranophile with a Hydrophilic Backbone for Selective Uranium Sequestration

    Energy Technology Data Exchange (ETDEWEB)

    Piechowicz, Marek [Department of Chemistry, University of Chicago, 929 E. 57th Street, Chicago, Illinois 60637, United States; Abney, Carter W. [Oak Ridge National Laboratory, P.O. Box 2008, MS-6201, Oak Ridge, Tennessee 37831-6181, United States; Thacker, Nathan C. [Department of Chemistry, University of Chicago, 929 E. 57th Street, Chicago, Illinois 60637, United States; Gilhula, James C. [Department of Chemistry, University of Chicago, 929 E. 57th Street, Chicago, Illinois 60637, United States; Wang, Youfu [Department of Chemistry, University of Chicago, 929 E. 57th Street, Chicago, Illinois 60637, United States; Shanghai Key Laboratory of Advanced Polymeric; Veroneau, Samuel S. [Department of Chemistry, University of Chicago, 929 E. 57th Street, Chicago, Illinois 60637, United States; Hu, Aiguo [Shanghai Key Laboratory of Advanced Polymeric; Lin, Wenbin [Department of Chemistry, University of Chicago, 929 E. 57th Street, Chicago, Illinois 60637, United States

    2017-08-10

    The amidoxime group (-RNH2NOH) has long been used to extract uranium from seawater on account of its high affinity toward uranium. The development of tunable sorbent materials for uranium sequestration remains a research priority as well as a significant challenge. Herein, we report the design, synthesis, and uranium sorption properties of bis-amidoxime-functionalized polymeric materials (BAP 1–3). Bifunctional amidoxime monomers were copolymerized with an acrylamide cross-linker to obtain bis-amidoxime incorporation as high as 2 mmol g–1 after five synthetic steps. The resulting sorbents were able to uptake nearly 600 mg of uranium per gram of polymer after 37 days of contact with a seawater simulant containing 8 ppm uranium. Moreover, the polymeric materials exhibited low vanadium uptake with a maximum capacity of 128 mg of vanadium per gram of polymer. This computationally predicted and experimentally realized selectivity of uranium over vanadium, nearly 5 to 1 w/w, is one of the highest reported to date and represents an advancement in the rational design of sorbent materials with high uptake capacity and selectivity.

  10. Synthesis, conductivity, and vibrational spectroscopy of tetraphenylphosphonium bis(trifluoromethanesulfonyl)imide

    Science.gov (United States)

    Haddad, Boumediene; Paolone, Annalisa; Villemin, Didier; Taqiyeddine, Moumene; Belarbi, El-habib; Bresson, Serge; Rahmouni, Mustapha; Dhumal, Nilesh R.; Kim, Hyung J.; Kiefer, Johannes

    2017-10-01

    The reaction of lithium bis(trifluoromethanesulfonyl)imide with tetraphenylphosphonium bromide in water leads to the formation of tetraphenylphosphonium bis(trifluoromethanesulfonyl)imide ([PPh4+][(CF3SO2)2N-]). The obtained compound was identified by means of 1H, 13C, 19F and 31P NMR spectroscopy. Although it has a structure similar to ionic liquids, it exhibits a melting point above 100 °C. Besides describing the synthesis, a detailed characterization of its conductivity and vibrational spectroscopic properties is presented. For the latter, FT-Raman and FTIR/ATR spectroscopies are used in the wavenumber range from 150 to 3500 cm-1 and from 600 to 3500 cm-1, respectively. Density functional theory calculations reveal a minor influence of the interionic interactions on the vibrational structure. Consequently, the computational vibrational spectra of the isolated ions show a good agreement with the experimental data. A detailed vibrational assignment is presented. Furthermore, the conductivity data indicate a solid-solid phase transition about 130 K below the melting point.

  11. Solvent-dependent self-discrimination of bis(2-hydroxyphenyl)diamides.

    Science.gov (United States)

    Matsuzawa, Akinobu; Nojiri, Akihiro; Kumagai, Naoya; Shibasaki, Masakatsu

    2010-05-03

    Solvent-dependent, self-discrimination of diamides is described. Mixing a solution of (R)-1a and (S)-1a, which are valine-derived, bis(2-hydroxyphenyl)diamide-bearing, multiple hydrogen-bonding modules, in dichloromethane immediately led to the formation of a thick suspension comprising a 1:1 heterochiral aggregate of 1a. The solubility of heterochiral 1a was substantially lower in halogenated solvents than in ethyl acetate. A perusal of racemic crystal structures obtained from chloroform and ethyl acetate revealed a significant difference in the crystal-packing pattern, which is likely to be the basis for the pronounced difference in solubility. Specific self-discrimination of 1 a in an ensemble of eight structurally related molecules showcased the specific aggregation through the hydrogen-bonding network of the bis(2-hydroxyphenyl)diamide framework. The low solubility of heterochiral 1a in halogenated solvent was exploited to achieve high stereoselectivity in a catalytic asymmetric reaction by using a low enantiomeric excess sample of 1a.

  12. Synthesis and spectroscopic properties of some new difluoroboron bis-β-diketonate derivatives

    Science.gov (United States)

    Pi, Yan; Wang, Dun-Jia; Liu, Hua; Hu, Yan-Jun; Wei, Xian-Hong; Zheng, Jing

    2014-10-01

    Six new bis-β-diketones (RCOCH2CO-C7H7N-COCH2COR) were synthesized from 3,5-diacetyl-2,6-dimethylpyridine via Claisen condensation with the corresponding esters, and then reacted with boron trifluoride etherate to afford difluoroboron bis-β-diketonate derivatives. Their spectroscopic properties were investigated by UV-vis, FTIR, 1H NMR and fluorescence spectroscopic techniques. It was found that these boron complexes exhibited violet or blue fluorescence emission at 422-445 nm and possessed high extinction coefficients. The results indicate that the extending π-conjugation can increase the fluorescence intensity and quantum yield for these boron complexes. Especially, the compound 2b displayed the stronger fluorescence intensity and the highest fluorescence quantum yield (Φu = 0.94) in these boron compounds. However, compounds 2c and 2d had the lower fluorescence intensity and quantum yield as a result of the heavy atom effect of the chlorine atom in the molecules.

  13. Crystal structures of μ-oxalato-bis-[azido-(hista-mine)-copper(II)] and μ-oxalato-bis-[(dicyan-amido)(hista-mine)-copper(II)].

    Science.gov (United States)

    Liu, Chen; Abboud, Khalil A

    2015-11-01

    The title compounds, μ-oxalato-κ(4) O (1),O (2):O (1'),O (2')-bis-[[4-(2-amino-eth-yl)-1H-imid-azole-κ(2) N (3),N (4)](azido-κN (1))copper(II)], [Cu2(C2O4)(N3)2(C5H9N3)2], (I), and μ-ox-al-ato-κ(4) O (1),O (2):O (1'),O (2')-bis-[[4-(2-amino-eth-yl)-1H-imidazole-κ(2) N (3),N (4)](dicyanamido-κN (1))copper(II)], [Cu2(C2O4)(C2N3)2(C5H9N3)2], (II), are two oxalate-bridged dinuclear copper complexes. Each Cu(II) ion adopts a five-coordinate square-pyramidal coordination sphere where the basal N2O2 plane is formed by two O atoms of the oxalate ligand and two N atoms of a bidentate chelating histamine mol-ecule. The apical coordination site in compound (I) is occupied by a monodentate azide anion through one of its terminal N atoms. The apical coordination site in compound (II) is occupied by a monodentate dicyanamide anion through one of its terminal N atoms. The mol-ecules in both structures are centrosymmetric. In the crystals of compounds (I) and (II), the dinuclear complexes are linked through N-H⋯X and C-H⋯X (X = N, O) hydrogen bonds where the donors are provided by the histamine ligand and the acceptor atoms are provided by the azide, dicyanamide, and oxalate ligands. In compound (I), the coordinatively unsaturated copper ions inter-act with the histamine ligand via a C-H⋯Cu inter-action. The coordinatively unsaturated copper ions in compound (II) inter-act via a weak N⋯Cu inter-action with the dicyanamide ligand of a neighboring mol-ecule. The side chain of the histamine ligand is disordered over three sets of sites in (II).

  14. Heteroleptic silver(I) complexes prepared from phenanthroline and bis-phosphine ligands.

    Science.gov (United States)

    Kaeser, Adrien; Delavaux-Nicot, Béatrice; Duhayon, Carine; Coppel, Yannick; Nierengarten, Jean-François

    2013-12-16

    The heteroleptic coordination scenario of silver(I) with various phenanthroline ligands (NN) and different bis-phosphine (PP) derivatives has been investigated. In addition to the X-ray crystal structural characterization of the resulting mixed ligand Ag(I) complexes, detailed NMR studies have been performed to disclose the behavior of the prepared silver(I) complexes in solution. The results obtained with silver(I) have been also systematically related to the one obtained for copper(I) with the same combination of PP and NN ligands. Starting from an equimolar mixture of AgBF4, bis[(2-diphenylphosphino)phenyl] ether (POP), and 1,10-phenanthroline (phen), the mononuclear complex [Ag(POP)(phen)](+) has been obtained as the tetrafluoroborate salt. By following the same experimental procedure starting from bis(diphenylphosphino)methane (dppm) or 1,3-bis(diphenylphosphino)propane (dppp) as the PP ligand, dinuclear complexes with two bridging PP ligands, i.e., [Ag2(NN)2(μ-dppm)2](2+) and [Ag2(NN)2(μ-dppp)2](2+) with NN = phen or Bphen (bathophenanthroline), have been isolated as the tetrafluoroborate salts. Surprisingly, by using an equimolar ratio of AgBF4, phen or Bphen, and 1,2-bis(diphenyl-phosphino)ethane (dppe), the corresponding monobridged diphosphine dinuclear complexes [Ag2(NN)2(μ-dppe)](2+) have been obtained as the tetrafluoroborate salts. These compounds have been also prepared in excellent yield by using a more appropriate 2:1:2 (phen:dppe:Ag) stoichiometry. These results prompted us to also perform the reactions with dppm and dppp using a 1:2:2 (PP:NN:Ag) stoichiometry. Under these conditions, [Ag2(NN)2(μ-dppm)](BF4)2 (NN = phen or Bphen) and [Ag2(NN)2(μ-dppp)](BF4)2 (NN = phen or Bphen) have been obtained upon crystallization. When compared to their copper(I) analogues, the complexation scenario becomes more complex with silver(I) as the system tolerates also coordinatively frustrated metal ligand assemblies, i.e., with a trigonal coordination

  15. High-resolution electron spectroscopy and rotational conformers of group 6 metal (Cr, Mo, and W) bis(mesitylene) sandwich complexes.

    Science.gov (United States)

    Kumari, Sudesh; Yang, Dong-Sheng

    2013-12-19

    Group 6 metal-bis(mesitylene) sandwich complexes are produced by interactions between the laser-vaporized metal atoms and mesitylene vapor in a pulsed molecular beam source, identified by photoionization time-of-flight mass spectrometry, and studied by pulsed-field ionization zero-electron kinetic energy spectroscopy and density functional theory calculations. Although transition metal-bis(arene) sandwich complexes may adopt eclipsed and staggered conformations, the group 6 metal-bis(mesitylene) complexes are determined to be in the eclipsed form. In this form, rotational conformers with methyl group dihedral angles of 0 and 60° are identified for the Cr complex, whereas the 0° rotamer is observed for the Mo and W species. The 0° rotamer is in a C(2v) symmetry with the neutral ground state of (1)A1 and the singly positive charged ion state of (2)A1. The 60° rotamer is in a C(i) symmetry with the neutral ground state of (1)A(g) and the ion state of (2)A(g). Partial conversion of the 60 to 0° rotamer is observed from He to He/Ar supersonic expansion for Cr-bis(mesitylene). The unsuccessful observation of the 60° rotamer for the Mo and W complexes is the result of its complete conversion to the 0° rotamer in both He and He/Ar expansions. The adiabatic ionization energies of the 0° rotamers of the three complexes are in the order of Cr-bis(mesitylene) < W-bis(mesitylene) < Mo-bis(mesitylene), which is different from that of the metal atoms. These metal-bis(mesitylene) complexes have lower ionization energies than the corresponding metal-bis(benzene) and -bis(toluene) species.

  16. The effect of the strength and wetting characteristics of Bis-GMA/TEGDMA-based adhesives on the bond strength to dentin

    Directory of Open Access Journals (Sweden)

    Eun-Sook Park

    2011-03-01

    Full Text Available Objectives This study investigated the effect of the strength and wetting characteristics of adhesives on the bond strength to dentin. The experimental adhesives containing various ratios of hydrophobic, low-viscosity Bis-M-GMA, with Bis-GMA and TEGDMA, were made and evaluated on the mechanical properties and bond strength to dentin. Materials and Methods Five experimental adhesives formulated with various Bis-GMA/Bis-M-GMA/TEGDMA ratios were evaluated on their viscosity, degree of conversion (DC, flexural strength (FS, and microtensile bond strength (MTBS. The bonded interfaces were evaluated with SEM and the solubility parameter was calculated to understand the wetting characteristics of the adhesives. Results Although there were no significant differences in the DC between the experimental adhesives at 48 hr after curing (p > 0.05, the experimental adhesives that did not contain Bis-GMA exhibited a lower FS than did those containing Bis-GMA (p < 0.05. The experimental adhesives that had very little to no TEGDMA showed significantly lower MTBS than did those containing a higher content of TEGDMA (p < 0.05. The formers exhibited gaps at the interface between the adhesive layer and the hybrid layer. The solubility parameter of TEGDMA approximated those of the components of the primed dentin, rather than Bis-GMA and Bis-M-GMA. Conclusions To achieve a good dentin bond, a strong base monomer, such as Bis-GMA, cannot be completely replaced by Bis-M-GMA for maintaining mechanical strength. For compatible copolymerization between the adhesive and the primed dentin as well as dense cross-linking of the adhesive layer, at least 30% fraction of TEGDMA is also needed.

  17. Crystal structure of an eight-coordinate terbium(III ion chelated by N,N′-bis(2-hydroxybenzyl-N,N′-bis(pyridin-2-ylmethylethylenediamine (bbpen2− and nitrate

    Directory of Open Access Journals (Sweden)

    Thaiane Gregório

    2015-01-01

    Full Text Available The reaction of terbium(III nitrate pentahydrate in acetonitrile with N,N′-bis(2-hydroxybenzyl-N,N′-bis(pyridin-2-ylmethylethylenediamine (H2bbpen, previously deprotonated with triethylamine, produced the mononuclear compound [N,N′-bis(2-oxidobenzyl-κO-N,N′-bis(pyridin-2-ylmethyl-κNethylenediamine-κ2N,N′](nitrato-κ2O,O′terbium(III, [Tb(C28H28N4O2(NO3]. The molecule lies on a twofold rotation axis and the TbIII ion is eight-coordinate with a slightly distorted dodecahedral coordination geometry. In the symmetry-unique part of the molecule, the pyridine and benzene rings are both essentially planar and form a dihedral angle of 61.42 (7°. In the molecular structure, the N4O4 coordination environment is defined by the hexadentate bbpen ligand and the bidentate nitrate anion. In the crystal, a weak C—H...O hydrogen bond links molecules into a two-dimensional network parallel to (001.

  18. Chromatographic behavior of a new hybrid type RP material containing silica bonded 1,3-alternate 25,27-bis-[cyanopropyloxy]-26,28-bis-[3-propyloxy]-calix[4]arene.

    Science.gov (United States)

    Sliwka-Kaszyńska, Magdalena; Łępicka, Kamila; Slebioda, Marek

    2010-10-01

    A novel 1,3-alternate 25,27-bis-[cyanopropyloxy]-26,28-bis-[3-propyloxy]-calix[4]arene-bonded silica gel stationary phase (CalixPrCN) was prepared and its structure was confirmed by ATR-FTIR spectroscopy and elemental analysis. The CalixPrCN phase was characterized in terms of its surface coverage, hydrophobic selectivity, aromatic selectivity, shape selectivity, hydrogen bonding capacity, residue metal content, and silanol activity based on Tanaka, Lindner, and SMR 870 test protocols. The effect of the acetonitrile content on the retention and selectivity of the selected neutral, basic, and acidic solutes was studied. The neutral and acidic analytes exhibited classical RP behavior, in which retention time decreases with increasing acetonitrile content. In contrast, basic analytes showed an increase in retention at low and high percentages of acetonitrile, forming "U-shaped" retention profiles. The new calixarene phase was compared with previously reported 1,3-alternate 25,27-bis-[propyloxy]-26,28-bis-[3-propyloxy]-calix[4]arene stationary phase and commercial cyanopropyl column. The results indicate that the CalixPrCN stationary phase behaves like RP packing; however, inclusion complex formation, dipole-dipole, and π-π interactions seem to be involved in the separation process. The selectivity of this phase was demonstrated in separation of polynuclear aromatic hydrocarbons, non-steroidal anti-inflammatory drugs, and sulfonamides as analytes.

  19. Electronic structure, chemical bond, and optical spectra of metal bis(porphyrin) complexes: a DFT/TDDFT study of the bis(porphyrin)M(IV) (M = Zr, Ce, Th) series

    NARCIS (Netherlands)

    Ricciardi, G.; Rosa, A.; Baerends, E.J.; Dr. van Gisbergen, S.

    2002-01-01

    The electronic absorption spectra of the bis(porphyrin) sandwich complexes of the metals Zr, Ce, and Th are studied with time-dependent density functional theory (TDDFT). A ground-state electronic structure analysis reveals that the highest occupied one-electron levels are, as expected, composed of

  20. Bis(μ-2-carboxymethyl-2-hydroxybutanedioatobis[diaquamanganese(II]–1,2-bis(pyridin-4-ylethene–water (1/1/2

    Directory of Open Access Journals (Sweden)

    In Hong Hwang

    2012-12-01

    Full Text Available The asymmetric unit of the title compound, [Mn2(C6H6O72(H2O4]·C12H10N2·2H2O, contains half of the centrosymmetric Mn complex dimer, half of a 1,2-bis(pyridin-4-ylethene molecule, which lies across an inversion center, and one water molecule. Two citrate ligands bridge two MnII ions, and each MnII atom is coordinated by four O atoms from the citrate ligands (one from hydroxy and three from carboxylate groups and two water O atoms, forming a distorted octahedral environment. In the crystal, O—H...O and O—H...N hydrogen bonds link the centrosymmetric dimers and lattice water molecules into a three-dimensional structure which is further stabilized by intermolecular π–π interactions [centroid–centroid distance = 3.959 (2 Å]. Weak C—H...O hydrogen bonding interactions are also observed.

  1. Synthesis and NMR characterization of dendrimers based on 2, 2-bis-(hydroxymethyl-propanoic acid (bis-HMPA containing peripheral amino acid residues for gene transfection

    Directory of Open Access Journals (Sweden)

    Silvana Alfei

    2017-08-01

    Full Text Available Dendrimers, the emerging man made, highly branched, star-shaped macromolecules with nanometer-scale dimensions are well known for their well defined and high controlled architecture, their versatility and high functionality and are of eminent interest in nanomedical applications such as drug delivery, gene transfection, and imaging. In this paper, versatile protocols for the synthesis of polyester-based, hydrolysable, polycationic dendrimers have been setup. A fourth generation dendrimer equipped with 48 peripheral hydroxyl groups was prepared from 2,2-bis(hydroxymethylpropanoic acid and was used for grafting BOC-amino acids or as “hypercores” on which dendrons functionalized with BOC-amino acids were attached. A library of 15 polycationic homo- and hetero-dendrimers in the form of hydrochloride was obtained. Their structures and composition were confirmed by NMR analysis and by experimental molecular weight computed by volumetric titration. Their buffer capacity and results obtained from cytotoxicity assays and tests of binding with both pDNA and siRNA were very satisfactory.

  2. A comparative Study of C2-Symmetric Bis(aziridine) Ligands in Some Transition Metal-Mediated Asymmetric Transformations

    DEFF Research Database (Denmark)

    Tanner, David Ackland; Johansson, Fredrik; Harden, Adrian

    1998-01-01

    A comparative study has been made of the performance of differently substituted Ca-symmetric bis(aziridine) ligands in a variety of metal-mediated asymmetric reactions. The metals studied were osmium (dihydroxylation), palladium (allylic alkylation) and copper (cyclopropanation and aziridination...

  3. Synthesis and Antimicrobial Studies of New Series of Pyrazoline Bearing Bis-Heterocycles via 1,3-Dipolar Cycloaddition Reactions

    Directory of Open Access Journals (Sweden)

    B. Jayashankara

    2008-01-01

    Full Text Available Biologically interesting bis-heterocycles bearing pyrazoline and imidazole moieties have been synthesized. 1H NMR, 13C NMR, IR and elemental analyses characterized the newly synthesized compounds. All the synthesized compounds were evaluated for their antimicrobial activity and were compared with the standard drugs. All the compounds demonstrated potent to weak antimicrobial activity.

  4. Bis(tributyltin)oxide (TBTO) decreases the food allergic response against peanut and ovalbumin in Brown Norway rats

    NARCIS (Netherlands)

    Jonge, J.D. de; Ezendam, J.; Knippels, L.M.J.; Odink, J.; Pourier, M.S.; Penninks, A.H.; Pieters, R.; Loveren, H. van

    2007-01-01

    Other factors than the allergen itself may be of importance in the development of food allergy. This report describes the influence of the immunosuppressive compound bis(tributyltin)oxide (TBTO), present in the food chain, on the development of food allergy to peanut or ovalbumin in Brown Norway

  5. Oxidative Addition of Carbon–Carbon Bonds with a Redox-Active Bis(imino)pyridine Iron Complex

    Science.gov (United States)

    Darmon, Jonathan M.; Stieber, S. Chantal E.; Sylvester, Kevin T.; Fernández, Ignacio; Lobkovsky, Emil; Semproni, Scott P.; Bill, Eckhard; Wieghardt, Karl; DeBeer, Serena; Chirik, Paul J.

    2013-01-01

    Addition of biphenylene to the bis(imino)pyridine iron dinitrogen complexes, (iPrPDI)Fe(N2)2 and [(MePDI)Fe(N2)]2(μ2-N2) (RPDI = 2,6-(2,6-R2—C6H3— N=CMe)2C5H3N; R = Me, iPr), resulted in oxidative addition of a C—C bond at ambient temperature to yield the corresponding iron biphenyl compounds, (RPDI)Fe-(biphenyl). The molecular structures of the resulting bis-(imino)pyridine iron metallacycles were established by X-ray diffraction and revealed idealized square pyramidal geometries. The electronic structures of the compounds were studied by Mössbauer spectroscopy, NMR spectroscopy, magnetochemistry, and X-ray absorption and X-ray emission spectroscopies. The experimental data, in combination with broken-symmetry density functional theory calculations, established spin crossover (low to intermediate spin) ferric compounds antiferromagnetically coupled to bis(imino)pyridine radical anions. Thus, the overall oxidation reaction involves cooperative electron loss from both the iron center and the redox-active bis(imino)pyridine ligand. PMID:23043331

  6. Oxidative addition of carbon-carbon bonds with a redox-active bis(imino)pyridine iron complex.

    Science.gov (United States)

    Darmon, Jonathan M; Stieber, S Chantal E; Sylvester, Kevin T; Fernández, Ignacio; Lobkovsky, Emil; Semproni, Scott P; Bill, Eckhard; Wieghardt, Karl; DeBeer, Serena; Chirik, Paul J

    2012-10-17

    Addition of biphenylene to the bis(imino)pyridine iron dinitrogen complexes, ((iPr)PDI)Fe(N(2))(2) and [((Me)PDI)Fe(N(2))](2)(μ(2)-N(2)) ((R)PDI = 2,6-(2,6-R(2)-C(6)H(3)-N═CMe)(2)C(5)H(3)N; R = Me, (i)Pr), resulted in oxidative addition of a C-C bond at ambient temperature to yield the corresponding iron biphenyl compounds, ((R)PDI)Fe(biphenyl). The molecular structures of the resulting bis(imino)pyridine iron metallacycles were established by X-ray diffraction and revealed idealized square pyramidal geometries. The electronic structures of the compounds were studied by Mössbauer spectroscopy, NMR spectroscopy, magnetochemistry, and X-ray absorption and X-ray emission spectroscopies. The experimental data, in combination with broken-symmetry density functional theory calculations, established spin crossover (low to intermediate spin) ferric compounds antiferromagnetically coupled to bis(imino)pyridine radical anions. Thus, the overall oxidation reaction involves cooperative electron loss from both the iron center and the redox-active bis(imino)pyridine ligand.

  7. π-Core tailoring for new high performance thieno(bis)imide based n-type molecular semiconductors.

    Science.gov (United States)

    Durso, Margherita; Gentili, Denis; Bettini, Cristian; Zanelli, Alberto; Cavallini, Massimiliano; De Angelis, Filippo; Grazia Lobello, Maria; Biondo, Viviana; Muccini, Michele; Capelli, Raffaella; Melucci, Manuela

    2013-05-14

    The synthesis and characterization of two thieno(bis)imide based n-type semiconductors with electron mobilities of up to 0.3 cm(2) V(-1) s(-1) are described. The relationships between the electronic features of the π-inner core and the functional properties of the new materials are also discussed.

  8. New chiral diamino-bis(tert-thiophene): an effective ligand for Pd- and Zn-catalyzed asymmetric transformations.

    Science.gov (United States)

    Bandini, Marco; Melucci, Manuela; Piccinelli, Fabio; Sinisi, Riccardo; Tommasi, Simona; Umani-Ronchi, Achille

    2007-11-21

    Enantiomerically pure diamino-bis(tert-thiophene) proved to be a valuable and flexible chiral ligand for Pd- and Zn-catalyzed transformations, allowing for high levels of stereocontrol in asymmetric allylic alkylation (ee up to 99%) and hydrosilylations of prochiral carbonyls (ee up to 97%).

  9. Proteomic analysis of mouse thymoma EL4 cells treated with bis (tri-n-butyltin)oxide (TBTO)

    NARCIS (Netherlands)

    Osman, A.M.; Kol, S.; Peijnenburg, A.A.C.M.; Blokland, M.H.; Pennings, J.L.A.; Kleinjans, J.C.S.; Loveren, van H.

    2009-01-01

    Here, we report the results of proteomic analysis of the mouse thymoma EL4 cell line exposed to bis(tri-n-butylin)oxide (TBTO), an immunotoxic organotin compound. The objective of the work was to examine whether TBTO affects the expression of proteins in this cell line and to compare the

  10. A conformational change in the peripheral anionic site of Torpedo californica acetylcholinesterase induced by a bis-imidazolium oxime.

    Science.gov (United States)

    Legler, Patricia M; Soojhawon, Iswarduth; Millard, Charles B

    2015-09-01

    As part of ongoing efforts to design improved nerve agent antidotes, two X-ray crystal structures of Torpedo californica acetylcholinesterase (TcAChE) bound to the bis-pyridinium oxime, Ortho-7, or its experimental bis-imidazolium analogue, 2BIM-7, were determined. Bis-oximes contain two oxime groups connected by a hydrophobic linker. One oxime group of Ortho-7 binds at the entrance to the active-site gorge near Trp279, and the second binds at the bottom near Trp84 and Phe330. In the Ortho-7-TcAChE complex the oxime at the bottom of the gorge was directed towards the nucleophilic Ser200. In contrast, the oxime group of 2BIM-7 was rotated away from Ser200 and the oxime at the entrance induced a significant conformational change in the peripheral anionic site (PAS) residue Trp279. The conformational change alters the surface of the PAS and positions the imidazolium oxime of 2BIM-7 further from Ser200. The relatively weaker binding and poorer reactivation of VX-inhibited, tabun-inhibited or sarin-inhibited human acetylcholinesterase by 2BIM-7 compared with Ortho-7 may in part be owing to the unproductively bound states caught in crystallo. Overall, the reactivation efficiency of 2BIM-7 was comparable to that of 2-pyridine aldoxime methyl chloride (2-PAM), but unlike 2-PAM the bis-imidazolium oxime lacks a fixed charge, which may affect its membrane permeability.

  11. Bisulfite sequencing of chromatin immunoprecipitated DNA (BisChIP-seq) directly informs methylation status of histone-modified DNA

    NARCIS (Netherlands)

    Statham, A.L.; Robinson, M.D.; Song, J.Z.; Coolen, M.W.; Stirzaker, C.; Clark, S. J.

    2012-01-01

    The complex relationship between DNA methylation, chromatin modification, and underlying DNA sequence is often difficult to unravel with existing technologies. Here, we describe a novel technique based on high-throughput sequencing of bisulfite-treated chromatin immunoprecipitated DNA (BisChIP-seq),

  12. Chiral Bis(ImidazolidinePyridine-Cu Complex-Catalyzed Enantioselective [3+2]-Cycloaddition of Azomethine Imines with Propiolates

    Directory of Open Access Journals (Sweden)

    Yuta Ogino

    2012-05-01

    Full Text Available [3+2] Cycloaddition of azomethine imines with electron-deficient terminal alkynes was smoothly catalyzed by a chiral bis(imidazolidinepyridine-CuOAc complex to give bicyclic pyrazolo[1,2-a]pyrazolone derivatives with up to 74% ee.

  13. Three-dimensional electron-accepting compounds containing perylene bis(dicarboximide)s as n-type organic photovoltaic materials.

    Science.gov (United States)

    Ie, Yutaka; Sakurai, Takahiro; Jinnai, Seihou; Karakawa, Makoto; Okuda, Kouichi; Mori, Shogo; Aso, Yoshio

    2013-09-28

    The synthesis of three-dimensional compounds containing perylene bis(dicarboximide) for application as acceptor materials in organic photovoltaics is reported. Physicochemical measurements as well as device evaluations revealed that the characteristic properties of these materials are derived from their three-dimensional structure.

  14. 15 CFR 711.8 - How to request authorization from BIS to make electronic submissions of declarations or reports.

    Science.gov (United States)

    2010-01-01

    ... 15 Commerce and Foreign Trade 2 2010-01-01 2010-01-01 false How to request authorization from BIS to make electronic submissions of declarations or reports. 711.8 Section 711.8 Commerce and Foreign Trade Regulations Relating to Commerce and Foreign Trade (Continued) BUREAU OF INDUSTRY AND SECURITY...

  15. Reactivity studies of pincer bis-protic N-heterocyclic carbene complexes of platinum and palladium under basic conditions

    Directory of Open Access Journals (Sweden)

    David C. Marelius

    2016-06-01

    Full Text Available Bis-protic N-heterocyclic carbene complexes of platinum and palladium (4 yield dimeric structures 6 when treated with sodium tert-butoxide in CH2Cl2. The use of a more polar solvent (THF and a strong base (LiN(iPr2 gave the lithium chloride adducts monobasic complex 7 or analogous dibasic complex 8.

  16. RuBisCO in Non-Photosynthetic Alga Euglena longa: Divergent Features, Transcriptomic Analysis and Regulation of Complex Formation.

    Science.gov (United States)

    Záhonová, Kristína; Füssy, Zoltán; Oborník, Miroslav; Eliáš, Marek; Yurchenko, Vyacheslav

    2016-01-01

    Euglena longa, a close relative of the photosynthetic model alga Euglena gracilis, possesses an enigmatic non-photosynthetic plastid. Its genome has retained a gene for the large subunit of the enzyme RuBisCO (rbcL). Here we provide new data illuminating the putative role of RuBisCO in E. longa. We demonstrated that the E. longa RBCL protein sequence is extremely divergent compared to its homologs from the photosynthetic relatives, suggesting a possible functional shift upon the loss of photosynthesis. Similarly to E. gracilis, E. longa harbors a nuclear gene encoding the small subunit of RuBisCO (RBCS) as a precursor polyprotein comprising multiple RBCS repeats, but one of them is highly divergent. Both RBCL and the RBCS proteins are synthesized in E. longa, but their abundance is very low compared to E. gracilis. No RBCS monomers could be detected in E. longa, suggesting that processing of the precursor polyprotein is inefficient in this species. The abundance of RBCS is regulated post-transcriptionally. Indeed, blocking the cytoplasmic translation by cycloheximide has no immediate effect on the RBCS stability in photosynthetically grown E. gracilis, but in E. longa, the protein is rapidly degraded. Altogether, our results revealed signatures of evolutionary degradation (becoming defunct) of RuBisCO in E. longa and suggest that its biological role in this species may be rather unorthodox, if any.

  17. RuBisCO in Non-Photosynthetic Alga Euglena longa: Divergent Features, Transcriptomic Analysis and Regulation of Complex Formation.

    Directory of Open Access Journals (Sweden)

    Kristína Záhonová

    Full Text Available Euglena longa, a close relative of the photosynthetic model alga Euglena gracilis, possesses an enigmatic non-photosynthetic plastid. Its genome has retained a gene for the large subunit of the enzyme RuBisCO (rbcL. Here we provide new data illuminating the putative role of RuBisCO in E. longa. We demonstrated that the E. longa RBCL protein sequence is extremely divergent compared to its homologs from the photosynthetic relatives, suggesting a possible functional shift upon the loss of photosynthesis. Similarly to E. gracilis, E. longa harbors a nuclear gene encoding the small subunit of RuBisCO (RBCS as a precursor polyprotein comprising multiple RBCS repeats, but one of them is highly divergent. Both RBCL and the RBCS proteins are synthesized in E. longa, but their abundance is very low compared to E. gracilis. No RBCS monomers could be detected in E. longa, suggesting that processing of the precursor polyprotein is inefficient in this species. The abundance of RBCS is regulated post-transcriptionally. Indeed, blocking the cytoplasmic translation by cycloheximide has no immediate effect on the RBCS stability in photosynthetically grown E. gracilis, but in E. longa, the protein is rapidly degraded. Altogether, our results revealed signatures of evolutionary degradation (becoming defunct of RuBisCO in E. longa and suggest that its biological role in this species may be rather unorthodox, if any.

  18. The transnational ne bis in idem principle in the EU. Mutual recognition and equivalent protection of human rights

    NARCIS (Netherlands)

    Vervaele, J.A.E.

    2005-01-01

    The deepening and widening of European integration has led to an increase in transborder crime. Concurrent prosecution and sanctioning by several Member States is not only a problem in inter-state relations and an obstacle in the European integration process, but also a violation of the ne bis in

  19. 40 CFR 721.9750 - 2-Chloro-4,6-bis(substituted)-1,3,5-triazine, dihydrochloride.

    Science.gov (United States)

    2010-07-01

    ... terrestrial organisms and plants. Notice to users: Release to water restrictions apply. (ii) Disposal... 40 Protection of Environment 30 2010-07-01 2010-07-01 false 2-Chloro-4,6-bis(substituted)-1,3,5-triazine, dihydrochloride. 721.9750 Section 721.9750 Protection of Environment ENVIRONMENTAL PROTECTION...

  20. FT-IR and Raman spectra and DFT calculations on bis(L-histidinato)nickel(II) monohydrate

    Science.gov (United States)

    Maia, J. R.; Lima, J. A.; Freire, P. T. C.; Mendes Filho, J.; Nogueira, C. E. S.; Teixeira, A. M. R.; de Menezes, A. S.; Remédios, C. M. R.; Cardoso, L. P.

    2013-12-01

    In this work the Fourier transform infrared and the Raman spectra of bis(L-hisidinato)nickel(II) monohydrate were recorded at room temperature. Optimized geometry and vibrational frequencies were obtained by means of Density Functional Theory (DFT). Experimental and theoretical vibrational spectra were compared and a complete analysis of the modes was done in terms of the Potential Energy Distribution (PED).

  1. Junction formation of Cu3BiS3 investigated by Kelvin probe force microscopy and surface photovoltage measurements

    Directory of Open Access Journals (Sweden)

    Fredy Mesa

    2012-03-01

    Full Text Available Recently, the compound semiconductor Cu3BiS3 has been demonstrated to have a band gap of ~1.4 eV, well suited for photovoltaic energy harvesting. The preparation of polycrystalline thin films was successfully realized and now the junction formation to the n-type window needs to be developed. We present an investigation of the Cu3BiS3 absorber layer and the junction formation with CdS, ZnS and In2S3 buffer layers. Kelvin probe force microscopy shows the granular structure of the buffer layers with small grains of 20–100 nm, and a considerably smaller work-function distribution for In2S3 compared to that of CdS and ZnS. For In2S3 and CdS buffer layers the KPFM experiments indicate negatively charged Cu3BiS3 grain boundaries resulting from the deposition of the buffer layer. Macroscopic measurements of the surface photovoltage at variable excitation wavelength indicate the influence of defect states below the band gap on charge separation and a surface-defect passivation by the In2S3 buffer layer. Our findings indicate that Cu3BiS3 may become an interesting absorber material for thin-film solar cells; however, for photovoltaic application the band bending at the charge-selective contact has to be increased.

  2. Antiferromagnetism in the organic conductor bis-tetramethyltetraselenafulvalene hexafluoroarsenate [(TMTSF)2AsF6]: Static magnetic susceptibility

    DEFF Research Database (Denmark)

    Mortensen, Kell; Tomkiewicz, Yaffa; Bechgaard, Klaus

    1982-01-01

    The anisotropy in the static magnetic susceptibility of bis-tetramethyltetraselenafulvalene hexafluoroarsenate [(TMTSF)2AsF6] has been investigated above and below the metal-to-insulator transition for a range of fields between 0.5 and 30 kG. The results are consistent with the expectations of a ...

  3. Cobalt and Nickel Complexes Bearing 2,6-Bis(iminophenoxy Ligands:Synthesis and Ethylene Oligomerization Study

    Directory of Open Access Journals (Sweden)

    Jian-Long Du

    2006-01-01

    Full Text Available A series of new cobalt and nickel complexes MLX2 (M = Co or Ni, X = Cl bearing 2,6-bis(iminophenoxy ligands have been synthesized. Treatment of the complexes with methylaluminoxane (MAO leads to active catalysts for ethylene oligomerization. The oligomers are olefins from C4 to C6.

  4. Zirconium and Titanium Propylene Polymerization Precatalysts Supported by a Fluxional C 2 -Symmetric Bis(anilide)pyridine Ligand

    KAUST Repository

    Tonks, Ian A.

    2012-03-12

    Titanium and zirconium complexes supported by a bis(anilide)pyridine ligand (NNN = pyridine-2,6-bis(N-mesitylanilide)) have been synthesized and crystallographically characterized. C 2-symmetric bis(dimethylamide) complexes were generated from aminolysis of M(NMe 2) 4 with the neutral, diprotonated NNN ligand or by salt metathesis of the dipotassium salt of NNN with M(NMe 2) 2Cl 2. In contrast to the case for previously reported pyridine bis(phenoxide) complexes, the ligand geometry of these complexes appears to be dictated by chelate ring strain rather than metal-ligand π bonding. The crystal structures of the five-coordinate dihalide complexes (NNN)MCl 2 (M = Ti, Zr) display a C 1-symmetric geometry with a stabilizing ipso interaction between the metal and the anilido ligand. Coordination of THF to (NNN)ZrCl 2 generates a six-coordinate C 2-symmetric complex. Facile antipode interconversion of the C 2 complexes, possibly via flat C 2v intermediates, has been investigated by variable-temperature 1H NMR spectroscopy for (NNN)MX 2(THF) n (M = Ti, Zr; X = NMe 2, Cl) and (NNN)Zr(CH 2Ph) 2. These complexes were tested as propylene polymerization precatalysts, with most complexes giving low to moderate activities (10 2-10 4 g/(mol h)) for the formation of stereoirregular polypropylene. © 2012 American Chemical Society.

  5. The Donor-Stabilized Silylene Bis[N,N´-diisopropylbenzamidinato(–)]silicon(ii): Synthesis, Electronic Structure, and Reactivity

    NARCIS (Netherlands)

    Junold, K.; Nutz, M.; Baus, J.A.; Burschka, C.; Fonseca Guerra, C.; Bickelhaupt, F.M.; Tacke, R.

    2014-01-01

    A convenient and robust synthesis of bis[N,N′- diisopropylbenzamidinato(-)]silicon(II) (1), a donor-stabilized silylene, has been developed (35 g scale). To get further information about the reactivity profile of 1, a series of oxidative addition reactions were studied. Treatment of 1 with PhSe-SePh

  6. High-pressure studies of superconductivity in BiO0. 75F0. 25BiS2

    Indian Academy of Sciences (India)

    ). We have investigated the effect of pressure on magnetization measurements. Our studies suggest improved superconducting properties in polycrystalline samples of BiO 0.75 F 0.25 BiS 2 . The Tc in our sample is 5.3 K, at ambient pressure, ...

  7. Blood and fibroblast responses to thermoset BisGMA-TEGDMA/glass fiber-reinforced composite implants in vitro

    NARCIS (Netherlands)

    Abdulmajeed, A.A.; Walboomers, X.F.; Massera, J.; Kokkari, A.K.; Vallittu, P.K.; Narhi, T.O.

    2014-01-01

    OBJECTIVES: This in vitro study was designed to evaluate both blood and human gingival fibroblast responses on fiber-reinforced composite (FRC) aimed to be used as oral implant abutment material. MATERIAL AND METHODS: Two different types of substrates were investigated: (a) Plain polymer (BisGMA

  8. Purging of epithelial tumor cells from peripheral blood stem cells by means of the bispecific antibody BIS-1

    NARCIS (Netherlands)

    Schroder, CP; Kroesen, BJ; de Leij, LFMH; de Vries, EGE

    Peripheral blood stem cell (PBSC) support in breast cancer patients allows high-dose chemotherapy, but tumor cell contamination of the PBSCs is a potential source of relapse. Specific carcinoma cell killing can be obtained by retargeting activated T cells with bispecific antibody BIS-1, directed

  9. Synthesis of a new class of bis(thiourea)hydrazide pseudopeptides as potential inhibitors of β-sheet aggregation.

    Science.gov (United States)

    Klein, Jan J; Hecht, Stefan

    2012-01-06

    The modular synthesis of a novel pseudopeptide scaffold based on a bis(thiourea)hydrazide motif is reported. This compound class is designed to display "amphifinity", i.e. association with a peptide strand on one but not the other face of the scaffold, and hence could potentially inhibit β-sheet aggregation. © 2011 American Chemical Society

  10. Corrosion Inhibition Effect of 4-(2-Diethylamino-Ethylsulfonyl-Phthalonitrile and 4,5-Bis(Hexylsulfonyl-Phthalonitrile

    Directory of Open Access Journals (Sweden)

    Esma Sezer

    2011-01-01

    Full Text Available Inhibition of stainless steel corrosion in a 3.0 M NaCl solution by 4-(2-diethylamino-ethylsulfanyl-phthalonitrile (DAESPN and 4,5-bis(hexylsulfonyl-phthalonitrile (Bis-HSPN was investigated by polarization and electrochemical impedance spectroscopy (EIS measurements. The values of cathodic (βc and anodic (βa Tafel slopes, corr, corr, corrosion rate (CR, and inhibition efficiences (IE% obtained from polarization curves and polarization resistance (P, double-layer capacitance (dl, specific capacitance (sp values were obtained from EIS. Double-layer capacitance differences in the presence and absence of inhibitors were also obtained from EIS measurements as suggested in the literature in order to investigate the interaction of them with metal surface. Results show that both DAESPN and Bis-HSPN are effective in cathodic reaction. Impedance measurements suggest higher surface coverage for DAESPN. The interaction between the inhibitor and the stainless steel was investigated by the adsorption isotherm. Langmuir adsorption isotherm ads was applied and Δ values were obtained and found as 4.32×10−4, 1.17×10−4 and 9.2 kJ, 12.5 kJ for DAESPN and Bis-HSPN, respectively, which suggests the electrostatic interaction between charged metal surface and charged organic molecules.

  11. Radical bonding: structure and stability of bis(phenalenyl) complexes of divalent metals from across the periodic table.

    Science.gov (United States)

    Craciun, Smaranda; Donald, Kelling J

    2009-07-06

    We examine the bonding possibilities of the bis(phenalenyl) MP(2) sandwich complexes of the divalent metals M = Be, Mg, Ca, Sr, Ba, Zn, Cd, and Hg, at the B3LYP level of theory. The outcome is an extraordinarily diverse class of low symmetry bis(phenalenyl)metal complexes in which bonding preferences and binding enthalpies differ dramatically. The lowest energy group 2 metal MP(2) complexes include an intriguing eta(1),eta(3) BeP(2) structure, and bent eta(6),eta(6) systems for M = Ca, Sr, and Ba. The group 12 bis(phenalenyl) complexes are thermodynamically unstable eta(1),eta(1) slip-sandwich structures. To better understand changes in the structural preferences going from the (eta(6),eta(6)) group 2 to the (eta(1),eta(1)) group 12 complexes, we explored the bonding in the bis(phenalenyl) complexes of transition metals with stable +2 oxidations states between Ca and Zn in period 4. The computed binding enthalpies are large and negative for nearly all of the minimum energy bis(phenalenyl) complexes of the group 2 and the transition metals; they are tiny for MgP(2), and are quite positive for the group 12 systems. The structural preferences and stability of the complexes is a subtle negotiation of several influences: the (un)availability of (n - 1)d and np, orbitals for bonding, the cost of the rehybridization at carbon sites in the phenalenyl rings in preparation for bonding to the metals, and the (P---P) interaction between the phenalenyl radicals.

  12. Modulation of the conflict monitoring intensity: the role of aversive reinforcement, cognitive demand, and trait-BIS.

    Science.gov (United States)

    Leue, Anja; Lange, Sebastian; Beauducel, André

    2012-06-01

    According to Botvinick's (2007) integrative account, conflict monitoring is aversive because individuals anticipate cognitive demand, whereas the revised reinforcement sensitivity theory (rRST) predicts that conflict processing is aversive because individuals anticipate aversive reinforcement of erroneous responses. Because these accounts give different reasons for the aversive aspects of conflict, we manipulated cognitive demand and the aversive reinforcement as a consequence of wrong choices in a go/no-go task. Thereby, we also aimed to investigate whether individual differences in conflict sensitivity (i.e., in trait anxiety, linked to high sensitivity of the behavioral inhibition system [trait-BIS]) represent the effects of aversive reinforcement and cognitive demand in conflict tasks. We expected that these manipulations would have effects on the frontal N2 component representing activity of the anterior cingulate cortex. Moreover, higher-trait-BIS individuals should be more sensitive than lower-trait-BIS individuals to aversive effects in conflict situations, resulting in a more negative frontal N2 for higher-trait-BIS individuals. In Study 1, with N = 104 students, and Study 2, with N = 47 students, aversive reinforcement was manipulated in three levels (within-subjects factor) and cognitive demand in two levels (between-subjects factor). The behavioral findings from the go/no-go task with noncounterbalanced reinforcement levels (Study 1) could be widely replicated in a task with counterbalanced reinforcement levels (Study 2). The frontal mean no-go N2 amplitude and the frontal no-go N2 dipole captured predicted reinforcement-related variations of conflict monitoring, indicating that the anticipation of aversive reinforcement induces variations in conflict monitoring intensity in frontal brain areas. The aversive nature of conflict was underlined by the more pronounced conflict monitoring in higher- than in lower-trait-BIS individuals.

  13. Adhesion of Streptococcus Mutans to Glass Ionomer, BisCem Cement and Enamel: An In Vitro Study

    Directory of Open Access Journals (Sweden)

    Ezzatollah Jalalian

    2016-05-01

    Full Text Available Objectives: Considering the adhesion of some microorganisms such as Streptococcus mutans (S. mutans to restorative materials and the unrecognized consequences of this phenomenon, and due to the controversies in this regard, it is important to discover the materials to which the lowest adhesion of S. mutans occurs. The objective of this study was to assess the level of adhesion of S. mutans to glass ionomer (GI, BisCem Cement and enamel.Materials and Methods:In this in vitro experimental study, 12 specimens including five GI blocks (GC America Inc., Alsip, IL, USA, five BisCem blocks (Bisco Inc., Schaumburg, IL, USA and two enamel blocks were exposed to a bacterial suspension (1×106 mg/mL. After incubation for one hour at 37˚C, the swab samples were taken and cultured in blood agar. The S. mutans colonies were counted by unaided vision after 48 hours of incubation. The results were analyzed using ANOVA followed by the Tukey’s test.Results:The number of colonies attributed to enamel, GI, and BisCem blocks was 24±2, 24.2±2.7 and 14.8±1.7 colonies/mm2, respectively. There was no difference between enamel and GI in terms of adhesion of S. mutans (P=0.08 and P>0.001, respectively; however, the difference between these two and BisCem was statistically significant (P= 0.00075 and P<0.001, respectively.Conclusion:Within the limitations of this study, BisCem cement is superior to GI for the cementation of indirect restorations.  Normal 0 false false false EN-US JA AR-SA Cu(II) bis(thiosemicarbazone) radiopharmaceutical binding to serum albumin: further definition of species dependence and associated substituent effects

    Energy Technology Data Exchange (ETDEWEB)

    Basken, Nathan E. [Division of Nuclear Pharmacy, Department of Industrial and Physical Pharmacy, Purdue University, West Lafayette, IN 47907 (United States); Green, Mark A. [Division of Nuclear Pharmacy, Department of Industrial and Physical Pharmacy, Purdue University, West Lafayette, IN 47907 (United States)], E-mail: magreen@purdue.edu

    2009-07-15

    Introduction: The pyruvaldehyde bis(N{sup 4}-methylthiosemicarbazonato)copper(II) (Cu-PTSM) and diacetyl bis(N{sup 4}-methylthiosemicarbazonato)copper(II) (Cu-ATSM) radiopharmaceuticals exhibit strong, species-dependent binding to the IIA site of human serum albumin (HSA), while the related ethylglyoxal bis(thiosemicarbazonato)copper(II) (Cu-ETS) radiopharmaceutical appears to exhibit only nonspecific binding to HSA and animal serum albumins. Methods: To further probe the structural basis for the species dependence of this albumin binding interaction, we examined protein binding of these three radiopharmaceuticals in solutions of albumin and/or serum from a broader array of mammalian species (rat, sheep, donkey, rabbit, cow, pig, dog, baboon, mouse, cat and elephant). We also evaluated the albumin binding of several copper(II) bis(thiosemicarbazone) chelates offering more diverse substitution of the ligand backbone. Results: Cu-PTSM and Cu-ATSM exhibit a strong interaction with HSA that is not apparent with the albumins of other species, while the binding of Cu-ETS to albumin is much less species dependent. The strong interaction of Cu-PTSM with HSA does not appear to simply correlate with variation, relative to the animal albumins, of a single amino acid lining HSA's IIA site. Those agents that selectively interact with HSA share the common feature of only methyl or hydrogen substitution at the carbon atoms of the diimine fragment of the ligand backbone. Conclusions: The interspecies variations in albumin binding of Cu-PTSM and Cu-ATSM are not simply explained by unique amino acid substitutions in the IIA binding pocket of the serum albumins. However, the specific affinity for this region of HSA is disrupted when substituents bulkier than a methyl group appear on the imine carbons of the copper bis(thiosemicarbazone) chelate.

  14. Synthesis and Coordination Properties of Trifluoromethyl Decorated Derivatives of 2,6-Bis[(diphenylphosphinoyl)methyl]pyridine N-Oxide Ligands with Lanthanide Ions

    Energy Technology Data Exchange (ETDEWEB)

    Pailloux, Sylvie [University of New Mexico, Albuquerque; Shirima, Cornel Edicome [University of New Mexico, Albuquerque; Ray, Alicia D. [University of New Mexico, Albuquerque; Duesler, Eileen N. [University of New Mexico, Albuquerque; Paine, Robert T. [University of New Mexico, Albuquerque; Klaehn, John D. [Idaho National Laboratory (INL); McIlwain, Michael E [Idaho National Laboratory (INL); Hay, Benjamin [ORNL

    2009-01-01

    Phosphinoyl Grignard-based substitutions on 2,6-bis(chloromethyl)pyridine followed by N-oxidation of the intermediate 2,6-bis(phosphinoyl)methyl pyridine compounds with mCPBA give the target trifunctional ligands 2,6-bis[bis-(2-trifluoromethyl-phenyl)-phosphinoylmethyl]-pyridine 1-oxide (2a) and 2,6-bis[bis-(3,5-bis-trifluoromethyl-phenyl)-phosphinoylmethyl]-pyridine 1-oxide (2b) in high yields. The ligands have been spectroscopically characterized, the molecular structures confirmed by single crystal X-ray diffraction methods and the coordination chemistry surveyed with lanthanide nitrates. Single crystal X-ray diffraction analyses are described for the coordination complexes Nd(2a)(NO3)3, Nd(2a)(NO3)3 (CH3CN)0.5, Eu(2a)(NO3)3 and Nd(2b)(NO3)3 (H2O)1.25; in each case the ligand binds in a tridentate mode to the Ln(III) cation. These structures are compared with the structures found for lanthanide coordination complexes of the parent NOPOPO ligand, [Ph2P(O)CH2]2C5H3NO.

  15. A second monoclinic polymorph of ethylenediammonium bis(hydrogen squarate monohydrate

    Directory of Open Access Journals (Sweden)

    Louiza Zenkhri

    2011-05-01

    Full Text Available The title compound, C2H10N22+·2HC4O4−·H2O, a new polymorph of ethylenediammonium bis(hydrogen squarate monohydrate, was synthesized by slow evaporation of an acid solution. The asymetric unit contains two hydrogen squarate anions, two half-molecules of protonated ethylenediamine arranged around a twofold axis and one water molecule. In the crystal, N—H...O and O—H...O hydrogen bonds between the hydrogen squarate anions, protonated N atoms from the amine group and water molecules lead to a three-dimensional framework. In particular, the cohesion between the squarate groups is ensured by very short intermolecular hydrogen bonds bonds. The title compound crystallized together with the previously reported polymorph [Mathew et al. (2002. J. Mol. Struct. 641, 263–279].

  16. Crystal structure of dimethylformamidium bis(trifluoromethanesulfonyl)amide: an ionic liquid

    Energy Technology Data Exchange (ETDEWEB)

    Cardenas, Allan Jay P.; O' Hagan, Molly

    2016-08-12

    At 100 K, the title molecular salt, C3H8NO+·C2F6NO4S2-, has orthorhombic (P212121) symmetry; the amino H atom of bis(trifluoromethanesulfonyl)amine (HNTf2) was transferred to the basic O atom of dimethylformamide (DMF) when the ionic liquid components were mixed. The structure displays an O—H...N hydrogen bond, which links the cation to the anion, which is reinforced by a non-conventional C—H...O interaction, generating anR22(7) loop. A further very weak C—H...O interaction generates an [001] chain.

  17. Amphiphilic Ditopic Bis-Aqua Gd-AAZTA-like Complexes Enhance Relaxivity of Lipidic MRI Nanoprobes.

    Science.gov (United States)

    Gambino, Giuseppe; Tei, Lorenzo; Carniato, Fabio; Botta, Mauro

    2016-08-05

    Two amphiphilic mono- and dimeric GdAAZTA-like chelates composed of stable bis-aquo Gd(III) complexes (q=2) linked to one (for the monomer) or two dodecyl aliphatic chains (for the dimer) were synthesized. Both chelates showed high relaxivity when incorporated into the lipid bilayer of liposomes or after interaction with human serum albumin (HSA). The ditopic complex shows a significantly decreased internal motion relative to the monomeric complex, associated with an enhanced relaxivity (r1 ≈60 mm(-1)  s(-1) , at 30 MHz and 310 K). The presence of two metal-bound water molecules in fast exchange and the restricted rotational freedom make the relaxivity of this system the highest measured for paramagnetic liposomes. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Synthesis, physicochemical and optical properties of bis-thiosemicarbazone functionalized graphene oxide

    Science.gov (United States)

    Kumar, Santosh; Wani, Mohmmad Y.; Arranja, Claudia T.; Castro, Ricardo A. E.; Paixão, José A.; Sobral, Abilio J. F. N.

    2018-01-01

    Fluorescent materials are important for low-cost opto-electronic and biomedical sensor devices. In this study we present the synthesis and characterization of graphene modified with bis-thiosemicarbazone (BTS). This new material was characterized using Fourier transform infrared spectroscopy (FT-IR), Ultraviolet-visible (UV-Vis) and Raman spectroscopy techniques. Further evaluation by X-ray diffraction (XRD), thermo-gravimetric analysis (TGA), differential scanning calorimetry (DSC), scanning electron microscopy (SEM) and atomic-force microscopy (AFM) allowed us to fully characterize the morphology of the fabricated material. The average height of the BTSGO sheet is around 10 nm. Optical properties of BTSGO evaluated by photoluminescence (PL) spectroscopy showed red shift at different excitation wavelength compared to graphene oxide or bisthiosemicarbazide alone. These results strongly suggest that BTSGO material could find potential applications in graphene based optoelectronic devices.

  19. Synthesis of some p-toluenesulfonyl-hydrazinothiazoles and hydrazino-bis-thiazoles and their anticancer activity.

    Science.gov (United States)

    Zaharia, Valentin; Ignat, Adriana; Palibroda, Nicolae; Ngameni, Bathélémy; Kuete, Victor; Fokunang, Charles N; Moungang, Marlyse L; Ngadjui, Bonaventure T

    2010-11-01

    A series of novel p-toluenesulfonyl-hydrazinothiazoles and hydrazino-bis-thiazoles derivatives (2a-f, 3a-f and 5-8) were synthesized by initial condensation of p-toluenesulfonylthiosemicarbazide 1 with a series of α-halogenocarbonyls in acetone or dimethylformamide (DMF)/acetone, mixture. All our synthesized compounds were submitted for further acylation reaction in the presence of acetic anhydride. The structures of newly synthesized derivatives 2a-f, 3a-f and 5-8 were confirmed by IR, (1)H-NMR, EIMS spectral data and elemental analysis. Compounds 2a, 2c, 2d, 2e and 3a showed significant anticancer activities (IC(50)<10 μM) on both prostate DU-145 and hepatocarcinoma Hep-G2 cancer cell lines. Copyright © 2010 Elsevier Masson SAS. All rights reserved.

  1. Synthesis and characterization of high performance superabsorbent hydrogels using bis[2-(methacryloyloxyethyl] phosphate as crosslinker

    Directory of Open Access Journals (Sweden)

    A. A. L. Goncalves

    2016-03-01

    Full Text Available Various superabsorbent polymers (SAPs were synthesized by free radical copolymerization at 70°C using acrylic acid (AA, potassium acrylate (KA, N-isopropyl acrylamide (NIPAM and sulfopropyl methacrylate potassium salt (SPM as monomers, bis[2-(methacryloyloxyethyl] phosphate (BMEP as crosslinker and potassium persulfate (KPS as initiator. The optimization of the synthesis led to the preparation of a SAP with very high water absorption ability, with a maximum swelling of 2618 g water/g dry hydrogel. The most promising SAP was fully characterized and the absorption capacities were studied at different pH and ionic strengths. When this SAP was mixed with soil, the mixture was able to lose water more slowly. Also, this material revealed high loading capacity and showed good releasing profiles using urea as model fertilizer. Due to these advantageous properties, the synthesized SAP can be used in agricultural applications.

  2. Quality control results of the drift tubes for the ATLAS MDT-BIS chambers

    CERN Document Server

    Alexopoulos, T; Dris, M; Filippas, T; Gazis, E; Katsoufis, E; Maltezos, S; Savva, Panagiota S; Tsipolitis, G; Tzamariudaki, E; 2004 IEEE Nuclear Science Symposium And Medical Imaging Conference

    2004-01-01

    ATLAS (A Toroidal LHC ApparatuS) is a general purpose experiment, which will start its operation at the Large Hadron Collider (LHC) at CERN in 2007. The ATLAS detector is designed to study the products of proton-proton collisions at c.m.s. energies of up to 14 TeV. Three Greek Universities have taken the responsibility to construct 112 BIS-MDT (Barrel Inner Small) chambers using 29 000 drift tubes of 170 cm length and 3 cm diameter that have been quality tested before assembly. This work describes the Quality Assurance and Quality Control (QA_QC) procedures for the drift tubes, followed at the High Energy Physics Laboratory of the National Technical University of Athens, while emphasis is given on the obtained results for the above mentioned number of tubes.

  3. Bis(pentamethylene)urea complexes of the lanthanide nitrates: synthesis, characterization, properties

    Science.gov (United States)

    de Souza, H. K. S.; Pedrosa, A. M. Garrido; Marinho, E. P.; Batista, M. K. S.; Melo, D. M. Araújo; Zinner, K.; Zinner, L. B.; Zukerman-Schpector, J.; Vicentini, G.

    2003-02-01

    Lanthanide nitrate complexes of bis(pentamethylene)urea (BPMU) with general formula Ln(NO 3) 33BPMU, where Ln: La, Nd, Sm, Eu, Ho and Er have been prepared and characterized based on CHN elemental analyses, lanthanide titration with EDTA, molar conductivity, spectroscopic data and thermal studies. The infrared spectra show that ligands (BPMU) are bonded through the carbonyl oxygen, nitrate counter-ions are bidentate linked to the central ions. The structure of the neodymium complex was determined. The crystal is monoclinic, P2 1/c, Z=4, with the following parameters: a=10.148(1) Å, b=21.879(2), c=19.154(2) Å, β=104.11(1)°, V=4124.3(7) Å 3. The polyhedron is a distorted tricapped trigonal prism, coordination number nine.

  4. Nachträge zum 'Katalog der schweizerischen Spinnen'. 1. Neunachweise von 1990 bis 1993

    Directory of Open Access Journals (Sweden)

    Hänggi, Ambros

    1993-12-01

    Full Text Available As a supplement to the "Katalog der schweizerischen Spinnen bis 1990" (Maurer & Hänggi 1991 7 species are recorded for the first time for Switzerland: Diplocephalus aff. procer (Simon, 1884 sensu Thaler (1972, Diplocephalus protuberans (O.P.-Cambridge, 1875, Tapinocyba praecox (O.P.-Cambridge, 1873, Trichoncus saxicola (O.P.-Cambridge, 1861, Zelotes pseudoclivicola Grimm, 1982, Ozyptila (=Oxyptila sanctuaria (O.P.-Cambridge, 1871, Talavera (=Euophrys aperta (Miller, 1971. Further 8 species, already published elsewhere, are recorded here to complete the "Catalogue": Mecynargus (=Rhaebothorax foveatus (F.Dahl, 1912, Tapinocyba maureri Thaler, 1991, Bathyphantes setiger F.O.P.-Cambridge, 1894, Tallusia (=Centromerus vindobonensis (Kulczynski, 1889, Cybaeus intermedius Maurer, 1992, Cybaeus montanus Maurer,1992, Zelotes atrocaeruleus (Simon, 1878, Talavera inopinata Wunderlich, 1993.

  5. Constructive quantum interference in a bis-copper six-porphyrin nanoring.

    Science.gov (United States)

    Richert, Sabine; Cremers, Jonathan; Kuprov, Ilya; Peeks, Martin D; Anderson, Harry L; Timmel, Christiane R

    2017-03-22

    The exchange interaction, J, between two spin centres is a convenient measure of through bond electronic communication. Here, we investigate quantum interference phenomena in a bis-copper six-porphyrin nanoring by electron paramagnetic resonance spectroscopy via measurement of the exchange coupling between the copper centres. Using an analytical expression accounting for both dipolar and exchange coupling to simulate the time traces obtained in a double electron electron resonance experiment, we demonstrate that J can be quantified to high precision even in the presence of significant through-space coupling. We show that the exchange coupling between two spin centres is increased by a factor of 4.5 in the ring structure with two parallel coupling paths as compared to an otherwise identical system with just one coupling path, which is a clear signature of constructive quantum interference.

  6. 5-Bromo-4′,5′-bis(dimethylaminofluorescein: Synthesis and Photophysical Studies

    Directory of Open Access Journals (Sweden)

    Jun Yeon Hwang

    2018-01-01

    Full Text Available In this study, three new fluorescein derivatives—5-bromo-4′,5′-dinitrofluorescein (BDNF, 5-bromo-4′,5′-diaminofluorescein (BDAF, and 5-bromo-4′,5′-bis(dimethylaminofluorescein (BBDMAF—were synthesized and their pH-dependent protolytic equilibria were investigated. In particular, BBDMAF exhibited pH-dependent fluorescence, showing strong emission only at pH 3–6. BBDMAF bears a bromine moiety and thus, can be used in various cross-coupling reactions to prepare derivatives and take advantage of its unique emission properties. To confirm this, the Suzuki and Sonogashira reactions of BBDMAF with phenylboronic acid and phenylacetylene, respectively, were performed, and the desired products were successfully obtained.

  7. Crystal structure of 3-{1′-[3,5-bis(trifluoromethylphenyl]ferrocenyl}-4-bromothiophene

    Directory of Open Access Journals (Sweden)

    Elisabeth A. Poppitz

    2014-10-01

    Full Text Available The molecular structure of the title compound, [Fe(C9H6BrS(C13H7F6], consists of a ferrocene backbone with a bis(trifluoromethylphenyl group at one cyclopentadienyl ring and a thiophene heterocycle at the other cyclopentadienyl ring. The latter is disordered over two sets of sites in a 0.6:0.4 ratio. In the crystal structure, intramolecular π–π interactions between the thienyl and the phenyl substituent [centroid–centroid distance 3.695 (4 Å] and additional weak T-shaped π–π interactions between the thienyl and the phenyl-substituted cyclopentadienyl ring [4.688 (6 Å] consolidate the crystal packing.

  8. Silver (I-coordinated bis(trimethoxysilylpropylamine Polycondensate for Adsorptive Removal of Iodide from Aqueous Solutions

    Directory of Open Access Journals (Sweden)

    Zhang Huifang

    2016-01-01

    Full Text Available Silver-coordinated bis(trimethoxysilylpropylamine polycondensate (TSPA-AgNO3 was prepared and used to adsorb iodide ions in aqueous solutions. Batch adsorption studies were performed to investigate the effects of pH, temperature and coexisting NaCl on adsorption behavior. The results show that TSPA-AgNO3 is easy to prepare and remarkably efficient in adsorbing iodide in water, especially in acidic solutions. Furthermore, increased temperature accelerated the adsorption, while coexisting NaCl inhibited the adsorption. TSPA-AgNO3 also proved to be chemically stable in simulated environmental situations, which reveals a promising potential for applying this method to the disposal of radioactive iodide in environment water.

  9. Method for the purification of bis (2-ethyl-hexyl)phosphoric acid

    Science.gov (United States)

    Schulz, W.W.

    1974-02-19

    Foreign products including the neutral organophosphorous compounds and the iron salts normally present in commercial bis(2ethyl-hexyl) phosphoric acid(HDEHP), and the radiolytic degradation products of HDEHP on exposure of HDEHP to beta and gamma irradiation are removed from HDEHP containing one or more of such products by contacting the said foreign product containing HDEHP with a macroreticular anion exchange resin in base form whereby the DEHP- ion of HDEHP exchanges with the anion of the resin and is thus adsorbed on the resin and the said foreign products are not adsorbed and will pass through a bed of particles of the resin. The adsorbed DEHP- ion is then eluted from the resin and acidified to form and recover the purified HDEHP. (auth)

  10. A new three-dimensional bis(benzimidazole)-based cadmium(II) coordination polymer

    Science.gov (United States)

    Hao, Shao Yun; Hou, Suo Xia; Hao, Zeng Chuan; Cui, Guang Hua

    2018-01-01

    A new coordination polymer (CP), formulated as [Cd(L)(DCTP)]n (1) (L = 1,1‧-(1,4-butanediyl)bis(2-methylbenzimidazole), H2DCTP = 2,5-dichloroterephthalic acid), was synthesized under hydrothermal conditions and the performance as luminescent probe was also investigated. Single-crystal X-ray diffraction reveals CP 1 is a 3D 3-fold interpenetrated dia network with large well-defined pores. It is found that CP 1 revealed highly sensitive luminescence sensing for Fe3 + ions in acetonitrile solution with a high quenching efficiency of KSV = 2541.238 L·mol- 1 and a low detection limit of 3.2 μM (S/N = 3). Moreover, the photocatalytic efficiency of 1 for degradation of methylene blue could reach 82.8% after 135 min. Therefore, this coordination polymer could be viewed as multifunctional material for selectively sensing Fe3 + ions and effectively degrading dyes.

  11. An in vitro study of anticariogenic compounds incorporated into Bis-GMA/TEGDMA copolymer

    Science.gov (United States)

    Pilly Yadaiah, Vinay Kumar

    Composite resins continue to evolve and are increasingly favoured by the people. However, drawbacks such as decreased longevity, secondary caries and costs make choosing composites a dilemma. This study evaluated drug release, inhibitory growth against Streptococcus mutans and drug stability of epigallocatechin-gallate (EGCg) incorporated into dental copolymer compared to resins containing chlorhexidine (CHX). Resin discs (5mm x 3mm) were prepared from 70 mol% Bis-GMA and 30 mol% TEGDMA comonomers containing: placebo, CHX and EGCg. Two corresponding concentrations in weight% of each drug for 0.5 and 1.0 x MIC were incorporated into paste resins and tested at time points: 24 hours, 7 days, 30 days, 60 days and 90 days. There is a significant difference in the 90 days drug delivery and bacterial inhibition among different drugs and drug ratios, which showed stability after 90 days. The results indicate that drug-based composites may reduce bacterial growth, which may improve its longevity.

  12. High solubilities of small hydrocarbons in trihexyl tetradecylphosphonium bis(2,4,4-trimethylpentyl) phosphinate.

    Science.gov (United States)

    Liu, Xiangyang; Afzal, Waheed; Yu, Guangren; He, Maogang; Prausnitz, John M

    2013-09-12

    Experimental solubilities are reported for methane, ethane, ethylene, propane, and propylene in trihexyl tetradecylphosphonium bis(2,4,4-trimethylpentyl) phosphinate [P(14)666][TMPP] from 313 to 353 K up to 6.7 MPa. A literature review on solubilities of small hydrocarbons in ionic liquids shows that solubilities in [P(14)666][TMPP] are appreciably larger than those in other ionic liquids. Contrary to solubilities in ionic liquids studied earlier, solubilities of paraffins (ethane and propane) in [P(14)666][TMPP] are larger than those of the corresponding olefins (ethylene and propylene). Because, at fixed temperature, the vapor pressure of an olefin is larger than that of the corresponding paraffin, the relative volatility of the olefin exceeds that of the corresponding paraffin, contrary to the relative volatility observed in conventional extractive distillation with polar solvents where the volatility of the paraffin exceeds that of the corresponding olefin.

  13. EVALUATION OF THE ANTIMICROBIAL EFFECTS OF NEW HETEROCYCLIC BIS-QUATERNARY AMMONIUM COMPOUNDS ON BIOFILMS

    Directory of Open Access Journals (Sweden)

    OANA E. CONSTANTIN

    2016-07-01

    Full Text Available Considering the well-known mechanism of adaptable resistance of microorganisms to chemical compounds through biofilms formation and the widespread use of N-heterocyclic quaternary ammonium salts (QAC as disinfectants, in this study we have evaluate the effect of 8 newly synthesized symmetrical and unsymmetrical diquaternary ammonium salts of 1,2-bis-(4-pyridil-ethane on bacterial biofilms produced by three different bacterial strains. The effect of the exposure to quaternary ammonium salts on biofilm communities was investigated within biofilms obtained in a conventional testing system, on stainless steel and glass surfaces. Differential plate counts were used to characterize the developed communities and the effects of QAC exposure and the results were correlated with epifluorescence microphotographs. The data obtained revealed a significant reduction of bacterial cells in the biofilms tested with 4-7 log CFU for all the QAC.

  14. Crystal structure of the tetragonal polymorph of bis(1-ethyl-3-methylimidazolium tetrabromidocadmate

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    Tamara Đorđević

    2016-07-01

    Full Text Available Both unique Cd atoms in the tetragonal polymorph of bis(1-ethyl-3-methylimidazolium tetrabromidocadmate, (C6H11N22[CdBr4], occupy special positions (site symmetry -4. The crystal structure consists of isolated tetrahedral [CdBr4]2− anions which are surrounded by 1-ethyl-3-methylimidazolium cations. The methyl and ethyl side chains of the cations show positional disorder in a 0.590 (11:0.410 (11 ratio. In the crystal, (C6H11N2+ cations display three weak C—H...Br hydrogen-bond interactions through the imidazolium ring H atoms with the Br− ligands of the surrounding complex anions. The alkyl groups of the side chains are not involved in hydrogen bonding.

  15. Life-threatening intoxication with methylene bis(thiocyanate: clinical picture and pitfalls. A case report

    Directory of Open Access Journals (Sweden)

    Schnuelle Peter

    2006-04-01

    Full Text Available Abstract Background Methylene bis(thiocyanate (MBT is a microbiocidal agent mainly used in industrial water cooling systems and paper mills as an inhibitor of algae, fungi, and bacteria. Case presentation We describe the first case of severe intoxication following inhalation of powder in an industrial worker. Profound cyanosis and respiratory failure caused by severe methemoglobinemia developed within several minutes. Despite immediate admission to the intensive care unit, where mechanical ventilation and hemodialysis for toxin elimination were initiated, multi-organ failure involving liver, kidneys, and lungs developed. While liver failure was leading, the patient was successfully treated with the MARS (molecular adsorbent recirculating system procedure. Conclusion Intoxication with MBT is a potentially life-threatening intoxication causing severe methemoglobinemia and multi-organ failure. Extracorporeal liver albumin dialysis (MARS appears to be an effective treatment to allow recovery of hepatic function.

  16. Molecular conductors from bis(ethylenedithio)tetrathiafulvalene with tris(oxalato)rhodate.

    Science.gov (United States)

    Martin, Lee; Morritt, Alexander L; Lopez, Jordan R; Nakazawa, Yasuhiro; Akutsu, Hiroki; Imajo, Shusaku; Ihara, Yoshihiko; Zhang, Bin; Zhang, Yan; Guo, Yanjun

    2017-07-25

    This article reports a family of new radical-cation salts of bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) with tris(oxalato)rhodate: three salts with the formula β''-(BEDT-TTF)4[(cation)Rh(C2O4)3]·solvent (solvent = fluorobenzene, chlorobenzene, or bromobenzene) and one with the formula pseudo-κ-(BEDT-TTF)4[(NH4)Rh(C2O4)3]·benzonitrile. We report here the syntheses, crystal structures, electrical properties and Raman spectroscopy of these new molecular conductors. The bromobenzene salt shows a decrease in resistivity below 2.5 K indicative of a superconducting transition and a Shubnikov-de Haas oscillation with a frequency of 232 T and effective mass m* of 1.27me.

  17. Synthesis and Photochemical Properties of 2,3;5,6-bis(cyclohexano)-BODIPY.

    Science.gov (United States)

    Kritskaya, Anna Yu; Bumagina, Natalia A; Antina, Elena V; Ksenofontov, Alexander A; Berezin, Mikhail B; Semeikin, Alexander S

    2017-12-27

    The boron-dipyrromethene (BODIPY) dye containing an annelated cyclohexyl rings at the 2,3 and 5,6-positions of pyrroles has been synthesized and characterized. Photochemical properties of the obtained compound have been investigated in different individual solvents. 2,3;5,6-Bis(cyclohexano)-BODIPY exhibits intense chromophore properties with maximum of S o → S 1 band in the 543-549 nm (A from 66000 to 96000 L/mol·cm). The complex is a fluorophore with a quantum yield up to ~ 100%. The influence of solvent polarity on the spectral properties was evaluated. To better understand the spectroscopic results, quantum chemical calculations were carried out. Photostability of dye was studied.Graphical Abstract.

  18. Palladium(II) complexes supported by a bidentate bis(secondary)phosphine linked by pyridine

    KAUST Repository

    Winston, Matthew S.

    2014-10-01

    A series of complexes of the type (PNP-H2)PdX2 (X=Cl, Br, I) have been synthesized, where PNP-H2 is a bis(secondary)phosphine ligand linked by a pyridine, 2,6-(2\\'-(Ph(H)P)(C6H4))2(C5H3N). Due to chirality at phosphorus, the parent ligand exists as a mixture of nearly equivalent rac and meso diastereomers non-interconverting at room temperature. When ligated to Pd(II) halides, however, the diastereomeric ratio is dependent upon the halide. The chloro, bromo, and iodo complexes have been characterized crystallographically. Conformationally similar meso diastereomers of each dihalide are roughly C s symmetric in the solid state, while the rac diastereomers (identified only for X=Br, I) show substantially different solid-state conformations. © 2014 Elsevier B.V.

  19. El non bis in idem en el ámbito administrativo sancionador

    Directory of Open Access Journals (Sweden)

    María Lourdes Ramírez Torrado

    2013-01-01

    Full Text Available El estudio del Derecho Administrativo sancionador como área autónoma del derecho es una idea relativamente reciente, ya que esta rama del saber, hasta hace poco tiempo, no tenía vida propia y, por el contrario, se apoyaba en el derecho penal. El principio non bis in ídem, no es una excepción, ello se evidencia en que la legislación que se encarga de la actividad sancionadora no aborda la problemática derivada del principio en el sector estrictamente administrativo. De ahí el valor que tienen las decisiones de la Corte Constitucional, así como el desarrollo de la doctrina para precisar el alcance de su contenido.

  20. 2,2-dinitro-1,3-bis-nitrooxy-propane (NPN): A new energetic plasticizer

    Energy Technology Data Exchange (ETDEWEB)

    Wingborg, Niklas; Eldsaeter, Carina [Swedish Defence Research Agency, FOI, SE-147 25 Tumba (Sweden)

    2002-12-01

    A new energetic plasticizer, 2,2-dinitro-1,3-bis-nitrooxy-propane (NPN), has been characterized. Its high oxygen balance, +12.5%, and low glass transition temperature, -81.5 C (midpoint), makes it very attractive as an energetic plasticizer in solid propellants. The ability of NPN to lower the glass transition temperature and viscosity of uncured PolyNIMMO has been studied and compared to other energetic plasticizers, such as BDNPA/F and butyl-NENA. NPN has a similar plasticizing effect as butyl-NENA, both on depressing the glass transition temperature and lowering the viscosity. To increase the poor thermal stability of NPN, several conventional nitrocellulose/nitroglycerine stabilizers were evaluated. Further work is however needed to find a more effective stabilizer. (Abstract Copyright [2002], Wiley Periodicals, Inc.)

  1. Enantioselective Addition of Organolithium Reagents to Imines Mediated by C2-Symmetric Bis(aziridine) Ligands

    DEFF Research Database (Denmark)

    Johansson, F.; Tanner, David Ackland

    1998-01-01

    The C-2-symmetric bis(aziridine) ligands 1 - 5 have been screened in the enantioselective addition of organolithium reagents to imines. Ligand 1 (used in stoichiometric amounts) was found to be superior in terms of chemical yield and enantioselectivity, the best result being 90% yield and 89% e.......e. in the addition of vinyllithium to imine 6a. Use of ligand 1 in substoichiometric amounts gave poorer yield and lower enantioselectivity. The enantioselectivity of the reaction was investigated as a function of substrate, reagent, stoichiometry and temperature, but no firm mechanistic conclusions could be drawn....... Preliminary results with deuterium-labelled methyllithium indicate complexation/exchange processes involving ligand, reagent and substrate. (C) 1998 Elsevier Science Ltd. All rights reserved....

  2. Corrosion of stainless steel battery components by bis(fluorosulfonyl)imide based ionic liquid electrolytes

    Science.gov (United States)

    Evans, Tyler; Olson, Jarred; Bhat, Vinay; Lee, Se-Hee

    2014-12-01

    While the anodic behavior of aluminum foil current collectors in imide-based room temperature ionic liquids (RTILs) is relatively well understood, interactions between such RTILs and other passive battery components have not been studied extensively. This study presents the solvent and potential dependent oxidation of SS316 coin-cell components in the N-methyl-N-propyl-pyrrolidinium bis(fluorosulfonyl)imide (PYR13FSI) RTIL. While this phenomenon prohibits high-voltage cycling of Li(Ni1/3Mn1/3Co1/3)O2 cathodes in SS316 coin-type cells, Al-clad cell components or alternative cell configurations can be utilized to avoid SS316 oxidation-induced cell failure.

  3. Crystal structure of O-isopropyl [bis(trimethylsilylamino](tert-butylaminophosphinothioate

    Directory of Open Access Journals (Sweden)

    Oleksandr O. Kovalenko

    2015-01-01

    Full Text Available [Bis(trimethylsilylamino](tert-butyliminothiophosphorane reacts in benzene with isopropyl alcohol via 1,2-addition of an iPrO–H bond across the P=N bond, resulting in the title compound, C13H35N2OPSSi2. In the molecule, the P atom possesses a distorted tetrahedral environment involving two N atoms from (Me3Si2N– and tBuNH– groups, one O atom from an iPrO group and one S atom, therefore the molecule has a stereocenter on the P atom but crystal symmetry leads to a racemate. In the crystal, a pair of enantiomers form a centrosymmetric dimer via a pair of N—H...S hydrogen bonds.

  4. 1,4-Bis{(+-(S-[1-(1-naphthylethyl]iminomethyl}benzene

    Directory of Open Access Journals (Sweden)

    Armando Espinosa Leija

    2009-10-01

    Full Text Available The title compound, C32H28N2, is a chiral bis-imine in which both imine groups display the common E configuration. The naphthyl groups present different orientations with respect to the central core, as reflected in the dihedral angles of 21.4 (2 and 78.83 (14° between the benzene and naphthyl mean planes, thus the highest possible C2 local molecular symmetry is not attained. This C1 molecular conformation allows multiple C—H...π intermolecular contacts involving all aromatic rings, while no π–π interactions are available for the stabilization of the crystal structure. The resulting packing structure is based on molecules stacked along [100].

  5. A New Bis(phthalocyaninato) Terbium Single-Ion Magnet with an Overall Excellent Magnetic Performance.

    Science.gov (United States)

    Chen, Yuxiang; Ma, Fang; Chen, Xiaoxiang; Dong, Bowei; Wang, Kang; Jiang, Shangda; Wang, Chiming; Chen, Xin; Qi, Dongdong; Sun, Haoling; Wang, Bingwu; Gao, Song; Jiang, Jianzhuang

    2017-11-20

    Bulky and strong electron-donating dibutylamino groups were incorporated onto the peripheral positions of one of the two phthalocyanine ligands in the bis(phthalocyaninato) terbium complex, resulting in the isolation of heteroleptic double-decker (Pc)Tb{Pc[N(C4H9)2]8} {Pc = phthalocyaninate; Pc[N(C4H9)2]8 = 2,3,9,10,16,17,23,24-octakis(dibutylamino)phthalocyaninate} with the nature of an unsymmetrical molecular structure, a square-antiprismatic coordination geometry, an intensified coordination field strength, and the presence of organic radical-f interaction. As a total result of all these factors, this sandwich-type tetrapyrrole lanthanide single-ion magnet (SIM) exhibits an overall enhanced magnetic performance including a high blocking temperature (TB) of 30 K and large effective spin-reversal energy barrier of Ueff = 939 K, rendering it the best sandwich-type tetrapyrrole lanthanide SIM reported thus far.

  6. Optical, thermal and electrical properties of pure and doped bis-thiourea cadmium formate (BTCF) crystal

    Science.gov (United States)

    Shejwal, N. N.; Anis, Mohd; Hussaini, S. S.; Shirsat, M. D.

    2014-12-01

    A glycine doped bis-thiourea cadmium formate (BTCF) crystal has been grown by a slow solution evaporation technique. The shifts in vibrational frequencies of different functional groups of BTCF were identified by Fourier transform infrared (FT-IR) spectral analysis. UV-visible studies were employed to assess the optical transparency of pure and doped BTCF crystals. The optical band gap of doped BTCF is found to be 5.16 eV. The optical constants, refractive index, reflectance, and optical conductivity have been evaluated, using the transmission data. The dielectric characteristics of pure and doped BTCF were investigated by employing dielectric studies. The decomposition temperature of pure and doped BTCF crystals was determined by using thermogravimetric analysis. The encouraging third-order nonlinear optical properties of pure and doped BTCF crystals were examined by employing the Z-scan technique at 632.8 nm.

  7. High-pressure-induced phase transitions in the ferroelectric bis-thiourea pyridinium iodide inclusion compound

    Energy Technology Data Exchange (ETDEWEB)

    Bilski, P; Bobrowicz-Sarga, L; Czarnecki, P; Maluszynska, H; Wasicki, J [Institute of Physics, Adam Mickiewicz University, Umultowska 85, 61-614 Poznan (Poland); Natkaniec, I [Frank Laboratory of Neutrons Physics, JINR, 141980 Dubna (Russian Federation)

    2008-12-03

    The effect of temperature and pressure on physical properties of the ferroelectric bis-thiourea pyridinium iodide inclusion compound has been studied by dielectric spectroscopy, neutron spectroscopy, neutron powder diffractometry, single crystal x-ray diffraction and nuclear magnetic resonance (NMR). At ambient pressure two structural phase transitions have been revealed: at T{sub 1} = 161 K between phases I and II and at T{sub 2} = 141 K between phases II and III. Phase III with increasing pressure splits into two phases, IIIa and IIIb. The temperatures of the phase transitions T{sub I-II}, T{sub II-IIIa} and T{sub IIIa-IIIb} increase with increasing pressure. The p-T phase diagram constructed for this compound shows two triple points of coordinates 150 K, 100 MPa and 115 K, 100 MPa.

  8. Synthesis and characterization of bis(thiourea)zinc chloride doped with L-arginine

    Energy Technology Data Exchange (ETDEWEB)

    Moitra, Sweta [Department of Materials Science, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032 (India); Kar, Tanusree, E-mail: mstk@iacs.res.in [Department of Materials Science, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032 (India)

    2009-09-15

    Single crystals of bis(thiourea)zinc chloride (BTZC) doped with basic amino acid L-arginine were grown successfully by slow evaporation method at ambient temperature. The doped crystals are optically better and more transparent than the pure ones having wide transmission spectra lying between 280 and 2000 nm. The comparative study of solubility curve shows a slight reduction in the solubility of the doped crystals. There is a drastic change in morphology due to doping which is also reflected in the X-ray diffraction pattern. The Fourier transform infrared spectroscopy study confirms the incorporation of L-arginine into BTZC crystal, as there is a deepening of the absorption peak at around 3200 cm{sup -1}. The second harmonic generation efficiency of the pure and the doped samples are almost same, which is equivalent to potassium dihydrogen phosphate. The doped crystals are harder than the pure one.

  9. Bis[2-(2,4-dinitrobenzylpyridinium] biphenyl-4,4′-disulfonate trihydrate

    Directory of Open Access Journals (Sweden)

    Graham Smith

    2010-05-01

    Full Text Available In the structure of the title salt, 2C12H10N3O4+·C12H8O6S22−·3H2O, determined at 173 K, the biphenyl-4,4′-disulfonate dianions lie across crystallographic inversion centres with the sulfonate groups interacting head-to-head through centrosymmetric cyclic bis(water-bridged hydrogen-bonding associations [graph set R44(11], forming chains. The 2-(2,4-dinitrobenzylpyridinium cations are linked to these chains through pyridinium–water N—H...O hydrogen bonds and a two-dimensional network is formed through water bridges between sulfonate and 2-nitro O atoms, while the structure also has weak cation–anion π–π aromatic ring interactions [minimum ring centroid separation = 3.8441 (13 Å].

  10. Synthesis of yellow emitting bis-pyrimidine based purely organic phosphors

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Vinod, E-mail: vinod.phy@gmail.com [Department of Physics, University of the Free State, Bloemfontein, PO Box 9300 (South Africa); Gohain, Mukut [Department of Chemistry, University of the Free State, Bloemfontein, PO Box 9300 (South Africa); Kumar, Vijay [Department of Physics, University of the Free State, Bloemfontein, PO Box 9300 (South Africa); Van Tonder, Johannes H.; Bezuidenhoudt, Barend C.B. [Department of Chemistry, University of the Free State, Bloemfontein, PO Box 9300 (South Africa); Ntwaeaborwa, O.M. [Department of Physics, University of the Free State, Bloemfontein, PO Box 9300 (South Africa); Swart, Hendrik C., E-mail: swarthc@ufs.ac.za [Department of Physics, University of the Free State, Bloemfontein, PO Box 9300 (South Africa)

    2014-05-01

    Two organic phosphors 5,5'-(4-pyridinylmethylene)bis[1,3-dimethyl-2,4,6-(1H,3H,5H) -pyrimidinetrione] (BP) and 5,5'-(4-nitrophenylmethylene)bis[1,3-dimethyl-2,4,6-(1H,3H,5H) -pyrimidinetrione] (BP-NO{sub 2}) have been synthesized through a one pot reaction of N,N-dimethylbarbituric acid and pyridine aldehyde in acetonitrile at 80 °C. The synthesized phosphors were characterized by single-crystal X-ray crystallography, Fourier transform infrared spectroscopy, UV–vis spectroscopy, thermogravimetry analysis and photoluminescence (PL) spectroscopy. A broadband PL emission spectrum ranging from 400 to 800 nm was recorded from both phosphors. The BP showed a luminescence peak at ca. 560 nm (2.21 eV), while the BP-NO{sub 2} exhibited a peak at 590 nm (2.1 eV), which reflect pure yellow emissions. The optimized geometry of the phosphors has been studied with a quantum chemical approach using the density functional theory. The highest occupied and lowest unoccupied molecular orbitals are predicted from the calculations. - Highlights: • Two stable organic phosphors to bridge the yellow gap were synthesized. • PL emission spectrum ranging from 400 to 800 nm was recorded for both. • Luminescence peaks were obtained at 560 nm (2.21 eV) and 590 nm (2.1 eV). • The optimized geometry was obtained with a quantum chemical approach using DFT. • The HOMO and LUMO orbitals were predicted from the calculations.

  11. Synthesis, spectral and catalytic activity of some Manganese(II) bis-benzimidazole diamide complexes

    Science.gov (United States)

    Mohapatra, Subash Chandra; Hundal, M. S.; Mathur, Pavan

    2011-09-01

    Four Mn(II) complexes bound to a neutral bis-benzimidazole diamide ligand N,N'-bis(2-methyl benzimidazolyl 2,2'-oxy-diethanamide) (GBOA) have been synthesized and characterized. Anionic ligand associated with the complexes varies as Cl - CH 3COO -, SCN - and ClO 4-. X-ray structure of one of the complexes [Mn(GBOA) 2(H 2O) 2]Cl 2·4H 2O was solved and shows that the Mn(II) ion is hexacoordinate. Two equatorial positions are occupied by benzimidazole imine nitrogen atoms while the other two sites are occupied by amide carbonyl oxygens. The imine nitrogen and carbonyl oxygens are bound to Mn(II) by different arms of the two ligands while axial sites are occupied by two water molecules. Two Cl - anions are outside the coordination sphere and form an extensive 3D H-bonded network. Axially distorted octahedral geometry is confirmed for all the four complexes by low temperature EPR spectroscopy. Distortion parameter D was found to be similar for [Mn(GBOA) 2(H 2O) 2]Cl 2·4H 2O and [Mn(GBOA) 2(H 2O) 2]·(CH 3COO) 2·H 2O. Cyclic voltammograms have been obtained for all the four complexes and E1/2 values are dependant on the anionic ligand being in the coordination sphere or outside. [Mn(GBOA) 2(H 2O) 2]Cl 2·4H 2O and [Mn(GBOA) 2(H 2O) 2]·(CH 3COO) 2·H 2O carry out the selective oxidation of N-benzyldimethylamine, and 1-methyl-pyrollidine to their respective carbonyl products with catalytic efficiency of 35-50%.

  12. BisGMA-polyvinylpyrrolidone blend based nanocomposites reinforced with chitosan grafted f-multiwalled carbon nanotubes

    Directory of Open Access Journals (Sweden)

    A. Praharaj

    2015-01-01

    Full Text Available In this work, initially a non-destroyable surface grafting of acid functionalized multiwalled carbon nanotubes (f-MWCNTs with biopolymer chitosan (CS was carried out using glutaraldehyde as a cross-linking agent via the controlled covalent deposition method which was characterized by Fourier transform infrared spectroscopy (FTIR and scanning electron microscopy (SEM. Then, BisGMA (bisphenol-A glycidyldimethacrylate-polyvinylpyrrolidone (PVP blend was prepared (50:50 wt% by a simple sonication method. The CS grafted f-MWCNTs (CS/f-MWCNTs were finally dispersed in BisGMA-PVP blend (BGP50 system in different compositions i.e. 0, 2, 5 and 7 wt% and pressed into molds for the fabrication of reinforced nanocomposites which were characterized by SEM. Nanocomposites reinforced with 2 wt% raw MWCNTs and acid f-MWCNTs were also fabricated and their properties were studied in detail. The results of comparative study report lower values of the investigated properties in nanocomposites with 2 wt% raw and f-MWCNTs than the one with 2 wt% CS/f-MWCNTs proving it to be a better reinforcing nanofiller. Further, the mechanical behavior of the nanocomposites with various CS/f-MWCNTs content showed a dramatic increase in Young’s Modulus, tensile strength, impact strength and hardness along with improved dynamic mechanical, thermal and electrical properties at 5 wt% content of CS/f-MWCNTs. The addition of CS/f-MWCNTs also resulted in reduced corrosion and swelling properties. Thus, the fabricated nanocomposites with optimum nanofiller content could serve as low cost and light weight structural, thermal and electrical materials compatible in various corrosive and solvent based environments.

  13. Simulation studies for wells AH-4bis/AH-17 and AH-18, Ahuachapan Geothermal Field

    Energy Technology Data Exchange (ETDEWEB)

    Monterrosa, Manuel Ernesto

    1996-01-24

    Well AH-4bis, at the Ahuachapan Geothermal Field is planned to be drilled on the same pad as the former AH-4. A simulation study was carried out for two casing dameters 13 5/8 and 9 5/8” in order to estimate its production and to know its economic feasibility. The simulation results indcate a high probability of production in the range of 7 Mwe, equivalent to 120 kg/s total mass flow rate, 1250 kJ/kg at 6 bar-a for the new well AH-4bis. Well AH- 17 is good producer, during 1991 after ten years of production, the well was shut-in due to silica scaling problems. A wellbore simulation was carried out in order to predict the new production conditions after the work-over, mainly to estimate the water flow rate in order to reduce the silica scaling. The results indicate a very low water flow rate. The match between the simulated and measured production curves after the work-over was successful. The well AH-18 is located at the southern part of the actual bore field. CEL is planning to expand the borefield at this area and it is neccessary to estimate the possible production condtions at that zone. The results indicate a high probabilty of production at that area. The power potential is estimated at 3.5 Mwe per well at WHP 6 bar-a and the wells will not require induction.

  14. Characterization by epr spectroscopy of the chiral catalysts bis(oxazoline-Cu supported in laponites

    Directory of Open Access Journals (Sweden)

    Alonso, P. J.

    2000-08-01

    Full Text Available An Electron Paramagnetic Resonance study of a chiral Bis(oxazoline-Cu(II supported in laponite (synthetic hectorite is presented. It is concluded that the complex is incorporated into the interllamellar space of the clay giving out isolated Cu(II entities in which the metal is co-ordinated to oxygen or nitrogen atoms with a symmetry practically planar-square, regardless the solvent used. That point out that the chlorine ligands in the complex are exchanged in the incorporation process in agreement with the previous X-ray absorption spectroscopy data, so that the oxygen atoms of the interlayers and clay surface act as counterions.

    Se presenta un estudio mediante Resonancia Paramagnética Electrónica del complejo quiral Bis(oxazolina-Cu(II soportado en laponita (hectorita sintética (libre de hierro. Del mismo se concluye que el complejo se incorpora en el espacio interlamelar de la arcilla dando lugar a entidades de Cu(II aisladas en las cuales el metal se coordina a átomos de oxígenos y nitrógenos con una simetría prácticamente planocuadrada, independientemente del disolvente empleado. Ello indica, de acuerdo con los datos previos de espectroscopia de absorción de rayos-X, que los ligandos cloruro del complejo son intercambiados en el proceso de incorporación de forma que los oxígenos de la superficie interlaminar y externa de la arcilla actúan como contraiones.

  15. Biological Activity and Molecular Structures of Bis(benzimidazole and Trithiocyanurate Complexes

    Directory of Open Access Journals (Sweden)

    Pavel Kopel

    2015-06-01

    Full Text Available 1-(1H-Benzimidazol-2-yl-N-(1H-benzimidazol-2-ylmethylmethanamine (abb and 2-(1H-benzimidazol-2-ylmethylsulfanylmethyl-1H-benzimidazole (tbb have been prepared and characterized by elemental analysis. These bis(benzimidazoles have been further used in combination with trithiocyanuric acid for the preparation of complexes. The crystal and molecular structures of two of them have been solved. Each nickel atom in the structure of trinuclear complex [Ni3(abb3(H2O3(μ-ttc](ClO43·3H2O·EtOH (1, where ttcH3 = trithiocyanuric acid, is coordinated with three N atoms of abb, the N,S donor set of ttc anion and an oxygen of a water molecule. The crystal of [(tbbH2(ttcH22(ttcH3(H2O] (2 is composed of a protonated bis(benzimidazole, two ttcH2 anions, ttcH3 and water. The structure is stabilized by a network of hydrogen bonds. These compounds were primarily synthesized for their potential antimicrobial activity and hence their possible use in the treatment of infections caused by bacteria or yeasts (fungi. The antimicrobial and antifungal activity of the prepared compounds have been evaluated on a wide spectrum of bacterial and yeast strains and clinical specimens isolated from patients with infectious wounds and the best antimicrobial properties were observed in strains after the use of ligand abb and complex 1, when at least 80% growth inhibition was achieved.

  16. Synthesis and characterization of silver nanoparticles from (bis)alkylamine silver carboxylate precursors

    Science.gov (United States)

    Uznanski, Pawel; Zakrzewska, Joanna; Favier, Frederic; Kazmierski, Slawomir; Bryszewska, Ewa

    2017-03-01

    A comparative study of amine and silver carboxylate adducts [R1COOAg-2(R2NH2)] (R1 = 1, 7, 11; R2 = 8, 12) as a key intermediate in NPs synthesis is carried out via differential scanning calorimetry, solid-state FT-infrared spectroscopy, 13C CP MAS NMR, powder X-ray diffraction and X-ray photoelectron spectroscopy, and various solution NMR spectroscopies (1H and 13C NMR, pulsed field gradient spin-echo NMR, and ROESY). It is proposed that carboxyl moieties in the presence of amine ligands are bound to silver ions via chelating bidentate type of coordination as opposed to bridging bidentate coordination of pure silver carboxylates resulting from the formation of dimeric units. All complexes are packed as lamellar bilayer structures. Silver carboxylate/amine complexes show one first-order melting transition. The evidence presented in this study shows that phase behavior of monovalent metal carboxylates are controlled, mainly, by head group bonding. In solution, insoluble silver salt is stabilized by amine molecules which exist in dynamic equilibrium. Using (bis)amine-silver carboxylate complex as precursor, silver nanoparticles were fabricated. During high-temperature thermolysis, the (bis)amine-carboxylate adduct decomposes to produce silver nanoparticles of small size. NPs are stabilized by strongly interacting carboxylate and trace amounts of amine derived from the silver precursor interacting with carboxylic acid. A corresponding aliphatic amide obtained from silver precursor at high-temperature reaction conditions is not taking part in the stabilization. Combining NMR techniques with FTIR, it was possible to follow an original stabilization mechanism.

  17. Synthesis and characterization of silver nanoparticles from (bis)alkylamine silver carboxylate precursors

    Energy Technology Data Exchange (ETDEWEB)

    Uznanski, Pawel, E-mail: puznansk@cbmm.lodz.pl; Zakrzewska, Joanna [Centre of Molecular and Macromolecular Studies, PAS (Poland); Favier, Frederic, E-mail: fredf@univ-montp2.fr [Université Montpellier II, ICGM - UMR5253- Equipe AIME (France); Kazmierski, Slawomir; Bryszewska, Ewa [Centre of Molecular and Macromolecular Studies, PAS (Poland)

    2017-03-15

    A comparative study of amine and silver carboxylate adducts [R{sub 1}COOAg-2(R{sub 2}NH{sub 2})] (R{sub 1} = 1, 7, 11; R{sub 2} = 8, 12) as a key intermediate in NPs synthesis is carried out via differential scanning calorimetry, solid-state FT-infrared spectroscopy, {sup 13}C CP MAS NMR, powder X-ray diffraction and X-ray photoelectron spectroscopy, and various solution NMR spectroscopies ({sup 1}H and {sup 13}C NMR, pulsed field gradient spin-echo NMR, and ROESY). It is proposed that carboxyl moieties in the presence of amine ligands are bound to silver ions via chelating bidentate type of coordination as opposed to bridging bidentate coordination of pure silver carboxylates resulting from the formation of dimeric units. All complexes are packed as lamellar bilayer structures. Silver carboxylate/amine complexes show one first-order melting transition. The evidence presented in this study shows that phase behavior of monovalent metal carboxylates are controlled, mainly, by head group bonding. In solution, insoluble silver salt is stabilized by amine molecules which exist in dynamic equilibrium. Using (bis)amine-silver carboxylate complex as precursor, silver nanoparticles were fabricated. During high-temperature thermolysis, the (bis)amine-carboxylate adduct decomposes to produce silver nanoparticles of small size. NPs are stabilized by strongly interacting carboxylate and trace amounts of amine derived from the silver precursor interacting with carboxylic acid. A corresponding aliphatic amide obtained from silver precursor at high-temperature reaction conditions is not taking part in the stabilization. Combining NMR techniques with FTIR, it was possible to follow an original stabilization mechanism.

  18. Simulated accident testing of a fuel element from the HFR-EU1bis irradiation campaign

    Energy Technology Data Exchange (ETDEWEB)

    Seeger, O., E-mail: Oliver.Seeger@ec.europa.eu; Knebel, K.; Weerd, W. de; Carbol, P.; Bottomley, P.D.W.; Rondinella, V.V.; Allelein, H.-J.

    2014-05-01

    The Cold Finger Apparatus (KühlFinger-Apparatur – KüFA) in operation at JRC-ITU is designed to experimentally examine the effects of Depressurization and LOss of Forced Circulation (DLOFC) accident scenarios on irradiated High Temperature Reactor (HTR) fuel pebbles. While remaining under an inert helium atmosphere, a HTR fuel pebble is subjected to heating schedules up to 1800 °C for several hundred hours. Fission gas release is monitored online during the experiment and volatile fission products are collected on condensation plates made of stainless steel positioned above the fuel sample on a “cold finger”, which is water-cooled to approximately 100 °C. Analysis of the substances deposited on the plates by means of gamma spectroscopy provides information on the fission product release as a function of time and temperature. The most recent KüFA test was performed on a fuel element irradiated in the High Flux Reactor (HFR) in Petten in the HFR-EU1bis campaign. The condensation plates feature dose rates up to 80 mSv/h and the lab background levels to some hundred μSv/h. Thus, effective collimation and background shielding is mandatory in order to perform a quantitatively accurate analysis of the samples by means of gamma spectroscopy. We present a detailed description of the experimental setup and the calibration procedure. The time-dependent fractional release of the volatile fission products {sup 134}Cs and {sup 137}Cs is shown. The results for the most recently tested fuel pebble HFR-EU1bis/5 are compared to data obtained for other fuel elements.

  19. Efficiency of SPIONs functionalized with polyethylene glycol bis(amine) for heavy metal removal

    Energy Technology Data Exchange (ETDEWEB)

    Wanna, Yongyuth, E-mail: yongyuth.wanna@gmail.com [College of KMITL Nanotechnology, King Mongkut' s Institute of Technology Ladkrabang, Chalongkrung Rd., Ladkrabang, Bangkok 10520 (Thailand); Nara Machinery Co., Ltd., 2-5-7, Jonan-Jima, Ohta-ku, Tokyo 143-0002 (Japan); Chindaduang, Anon; Tumcharern, Gamolwan [National Nanotechnology Center (NANOTEC), 111 Thailand Science Park, Pahol Yothin Rd, Klong Luang, Pathum Thani 12120 (Thailand); Phromyothin, Darinee [College of KMITL Nanotechnology, King Mongkut' s Institute of Technology Ladkrabang, Chalongkrung Rd., Ladkrabang, Bangkok 10520 (Thailand); Porntheerapat, Supanit [NECTEC, National Science and Technology Development Agency (NSTDA), 112 Thailand Science Park, Phahonyothin Rd., Khlong Nueng, Khlong Luang, Pathum Thani 12120 (Thailand); Nukeaw, Jiti [College of KMITL Nanotechnology, King Mongkut' s Institute of Technology Ladkrabang, Chalongkrung Rd., Ladkrabang, Bangkok 10520 (Thailand); Hofmann, Heirich [Laboratory of Powder Technology, Ecole Polytechnique Fédérale de Lausanne (Switzerland); Pratontep, Sirapat [College of KMITL Nanotechnology, King Mongkut' s Institute of Technology Ladkrabang, Chalongkrung Rd., Ladkrabang, Bangkok 10520 (Thailand)

    2016-09-15

    Hybrid magnetic nanoparticles based on poly(methylmethacrylate) (PMMA) and super-paramagnetic iron oxide nanopaticles (SPIONs) with selective surface modification has been developed for heavy metal removal by applying external magnetic fields. The nanoparticles were prepared by the emulsion polymerization technique in an aqueous suspension of SPIONs. The hydrolysis of carboxyl functional group was then applied for grafting polyethylene glycol bis(amine)(PEG-bis(amine)) onto the PMMA-coated SPIONs. The morphology, the chemical structure and the magnetic properties of the grafted nanoparticles were investigated. The efficiency of the hybrid nanoparticles for heavy metal removal were conducted on Pb(II), Hg(II), Cu(II) and Co(II) in aqueous solutions.The metal concentration in the solutions after separation by the hybrid nanoparticles was determined by inductively coupled plasma optical emission spectrometer (ICP-OES). The results show the heavy metal uptake ratios of 0.08, 0.04, 0.03, and 0.01 mM per gramme of the grafted SPIONs for Pb(II), Hg(II), Cu(II), and Co(II), respectively. A competitive removal of Cu(II), Pb(II), Co(II) and Hg(II) ions in mixed metal salt solutions has also been studied.The heavy metal removal efficiency of the hybrid nanoparitcles was found to depend on the cation radius, in accordance with capture of metal ions by the amine group. - Highlights: • We synthesis hybrid magnetic nanoparticles for heavy metal removal. • The efficiency of hybrid nanoparticles for heavy metal removal is proposed. • We investigated the characteristic of hybrid nanoparticle. • The heavy metal removal efficiency of the hybrid nanoparticle was founded that depend on the heavy metal cation radius.

  20. Acute treatment with bis selenide, an organic compound containing the trace element selenium, prevents memory deficits induced by reserpine in rats.

    Science.gov (United States)

    Bortolatto, Cristiani Folharini; Guerra Souza, Ana Cristina; Wilhelm, Ethel Antunes; Nogueira, Cristina Wayne

    2013-01-01

    Taking into account the promising pharmacological actions of (Z)-2,3-bis(4-chlorophenylselanyl) prop-2-en-1-ol) (bis selenide), an organic compound containing the trace element selenium, and the constant search for drugs that improve the cognitive performance, the objective of the present study was to investigate whether bis selenide treatment ameliorates memory deficits induced by reserpine in rats. For this aim, male adult rats received a single subcutaneous injection of reserpine (1 mg/kg), a biogenic amine-depleting agent used to induce memory deficit. After 24 h, bis selenide at doses of 25 and 50 mg/kg was administered to rats by intragastric route, and 1 h later, the animals were submitted to behavior tasks. The effects of acute administration of bis selenide on memory were evaluated by social recognition, step-down passive avoidance, and object recognition paradigms. Exploratory and locomotor activities of rats were determined using the open-field test. Analysis of data revealed that the social memory disruption caused by reserpine was reversed by bis selenide at both doses. In addition, bis selenide, at the highest dose, prevented the memory deficit resulting from reserpine administration to rats in step-down passive avoidance and object recognition tasks. No significant alterations in locomotor and exploratory behaviors were found in animals treated with reserpine and/or bis selenide. Results obtained from distinct memory behavioral paradigms revealed that an acute treatment with bis selenide attenuated memory deficits induced by reserpine in rats.

  1. Cytoprotective effects of 4,6-bis(1H-pyrazol-1-yl)pyrimidine and related compounds on HCI.ethanol-induced gastric lesions in rats.

    Science.gov (United States)

    Ikeda, M; Maruyama, K; Nobuhara, Y; Yamada, T; Okabe, S

    1997-03-01

    Bis(1H-pyrazol-1-yl)- and bis(1H-imidazol-1-yl)pyrimidines were synthesized and evaluated for cytoprotective effects. Among them, 4,6-bis(1H-pyrazol-1-yl)pyrimidine (3) showed a potent inhibitory effect on the HCl.ethanol-, ethanol-, and water immersion stress-induced gastric lesions in rats, and a very low acute toxicity. One of the major factors responsible for the cytoprotective effects of 3 is the increase in the bicarbonate secretion. This compound appears to be a promising cytoprotective drug for the treatment of gastric mucosal ulcers.

  2. One Pot Single Step Synthesis and Biological Evaluation of Some Novel Bis(1,3,4-thiadiazole Derivatives as Potential Cytotoxic Agents

    Directory of Open Access Journals (Sweden)

    Sobhi M. Gomha

    2016-11-01

    Full Text Available A novel series of bis(1,3,4-thiadiazole derivatives were synthesized in one step methodology with good yields by condensation reaction between bis-hydrazonoyl chloride 1 and various reagents. The structures of the prepared compounds were confirmed by spectral data (IR, NMR, and MS, and elemental analysis. The anticancer activity against human breast carcinoma (MCF-7 cancer cell lines was evaluated in MTT assay. The results revealed that the bis-thiadiazole derivatives 5c,d, 7b,c and 9c had higher antitumor activity than the standard drug Imatinib.

  3. Zum gegenwärtigen Stande des Problems der spezifischen Wärme Arnold Eucken, ed., Die Theorie der Strahlung und der Quanten. Verhandlungen auf einer von E. Solvay einberufenen Zusammenkunft (30. Oktober bis 3. November 1911), mit einem Anhange über die Entwicklung der Quantentheorie vom Herbst 1911 bis Sommer 1913. Halle a.S.: Knapp, 1914., 3 Nov 1911

    CERN Document Server

    Einstein, A

    2003-01-01

    Zum gegenwärtigen Stande des Problems der spezifischen Wärme Arnold Eucken, ed., Die Theorie der Strahlung und der Quanten. Verhandlungen auf einer von E. Solvay einberufenen Zusammenkunft (30. Oktober bis 3. November 1911), mit einem Anhange über die Entwicklung der Quantentheorie vom Herbst 1911 bis Sommer 1913. Halle a.S.: Knapp, 1914., 3 Nov 1911

  4. Zum gegenwärtigen Stande des Problems der spezifischen Wärme Arnold Eucken, ed., Die Theorie der Strahlung und der Quanten. Verhandlungen auf einer von E. Solvay einberufenen Zusammenkunft (30. Oktober bis 3. November 1911), mit einem Anhange über die Entwicklung der Quantentheorie vom Herbst 1911 bis Sommer 1913. Halle a.S.: Knapp, 1914., 3 Nov 1911

    CERN Document Server

    Einstein, A

    1911-01-01

    Zum gegenwärtigen Stande des Problems der spezifischen Wärme Arnold Eucken, ed., Die Theorie der Strahlung und der Quanten. Verhandlungen auf einer von E. Solvay einberufenen Zusammenkunft (30. Oktober bis 3. November 1911), mit einem Anhange über die Entwicklung der Quantentheorie vom Herbst 1911 bis Sommer 1913. Halle a.S.: Knapp, 1914., 3 Nov 1911

  5. Crystal and molecular structure and magnetic exchange properties of bis(di-micro-ethoxo-bis(3,5-di-tert-butylsemiquinonato)dicopper(II)) complex. A synergy between DFT and experimental magnetochemistry.

    Science.gov (United States)

    Bencini, Alessandro; Dei, Andrea; Sangregorio, Claudio; Totti, Federico; Vaz, Maria G F

    2003-12-01

    The compound bis(di-micro-ethoxo-bis(3,5-di-tert-butylsemiquinonato)dicopper(II)) has been synthesized and its structure was determined by single-crystal X-ray diffraction. The compound crystallizes in the monoclinic system, space group C2/c, with a = 37.736(8) A, b = 9.173(2) A, c = 23.270(5) A, beta = 122.24(3) degrees. The structure can be described as a Lewis adduct between two dinuclear [Cu(DBSQ)(C(2)H(5)O)](2) units (DBSQ = 3,5-di-tert-butyl-semiquinonato). The temperature dependence of the magnetic susceptibility was efficiently analyzed by a combined DFT/experimental approach, showing that a rather strong ferromagnetic interaction exists between the DBSQ(-) and the copper(II) ions modulated by an antiferromagnetic interaction between the two copper(II) ions of the dinuclear units. Weak antiferromagnetism between the two units in the unit cell was measured.

  6. Manifestation of hopping conductivity and granularity within phase diagrams of LaO1-x F x BiS2, Sr1-x La x FBiS2 and related BiS2-based compounds

    Science.gov (United States)

    Arouca, R.; Silva Neto, M. B.; Chaves, C. M.; Nagao, M.; Watauchi, S.; Tanaka, I.; ElMassalami, M.

    2017-09-01

    Layered BiS 2 -based series, such as LaO 1-x F x BiS 2 and Sr 1-x La x FBiS 2 , offer ideal examples for studying normal and superconducting phase diagram of a solid solution that evolves from a nonmagnetic band-insulator parent. We constructed typical x-T phase diagrams of these systems based on events occurring in thermal evolution of their electrical resistivity, ρ(x, T) . Overall evolution of these diagrams can be rationalized in terms of (i) Mott-Efros-Shklovskii scenario which, within the semiconducting x regime (x_MIT = Mott metal-insulator transition), describes the doping influence on the thermally activated hopping conductivity. (ii) A granular metal (superconductor) scenario which, within x_MITpressure or heat treatment.

  7. Platinum catalysed 3,4- and 1,4-diboration of alpha,beta-unsaturated carbonyl compounds using bis-pinacolatodiboron.

    Science.gov (United States)

    Bell, Nathan J; Cox, Andrew J; Cameron, Neil R; Evans, John S O; Marder, Todd B; Duin, Marcel A; Elsevier, Cornelis J; Baucherel, Xavier; Tulloch, Arran A D; Tooze, Robert P

    2004-08-21

    Bis-pinacolatodiboron reacts with [small alpha],[small beta]-unsaturated carbonyl compounds to give 1,4- and unprecedented 3,4-additions in the presence of a second generation Pt(0) catalyst at ambient temperature.

  8. [Baltisches Welterlebnis. Die kulturgeschichtliche Bedeutung von Alexander, Eduard und Hermann Graf Keyserling. Beiträge eines internationalen Symposium in Tartu vom 19. bis 21. September 2003

    Index Scriptorium Estoniae

    Garleff, Michael, 1940-

    2011-01-01

    Baltisches Welterlebnis. Die kulturgeschichtliche Bedeutung von Alexander, Eduard und Hermann Graf Keyserling. Beiträge eines internationalen Symposium in Tartu vom 19. bis 21. September 2003. Heidelberg : Universitätsverlag Winter, 2007

  9. "Synnytetään semmonen pöhinäpaikka"

    OpenAIRE

    Siitonen, Jaan

    2016-01-01

    Tämän tutkimuksen tavoitteena oli tutkia yrityshautomo Helsinki Think Companya (HTC), kuvata miten se syntyi ja vertailla, miten sen käytännön toteutus erosi opetusministeriön visioista edistää korkeakoulupohjaista yrittäjyyttä. Helsinki Think Company (HTC) on Helsingin kaupungin ja Helsingin yliopiston yhteistyöllä huhtikuussa vuonna 2013 perustettu yrittäjyyden tila ja yhteisö, jonka tarkoituksena on kannustaa ja tukea opiskelijoita ja tutkijoita yrittäjyyteen Helsingin alueella. T...

  10. Morphology, Ultrastructure and Possible Functions of Antennal Sensilla of Sitodiplosis mosellana Géhin (Diptera: Cecidomyiidae).

    Science.gov (United States)

    Wang, Yue; Li, Dan; Liu, Yang; Li, Xue-Jiao; Cheng, Wei-Ning; Zhu-Salzman, Keyan

    2016-01-01

    To better understand the olfactory receptive mechanisms involved in host selection and courtship behavior of Sitodiplosis mosellana (Diptera: Cecidomyiidae), one of the most important pests of wheat, scanning and transmission electron microscopy were used to examine the external morphology and ultrastructure of the antennal sensilla. The moniliform antennae exhibit obvious sexual dimorphism: antennae of the males are markedly longer than those of the females. Furthermore, each male flagellomere consists of two globular nodes, whereas each female flagellomere is cylindrical. Seven types of sensilla were identified in both sexes. Two types of s. chaetica have a lumen without dendrites and thick walls, suggesting that they are mechanoreceptors. S. trichodea and s. circumfila are typical chemoreceptors, possessing thin multiporous walls encircling a lumen with multiple dendrites. There are significantly more s. trichodea in female than in male, which may be related to host plant localization. In contrast, male s. circumfila are highly elongated compared to those of females, perhaps for pheromone detection. Peg-shaped s. coeloconica are innervated with unbranched dendrites extending from the base to the distal tip. Type 1 s. coeloconica, which have deep longitudinal grooves and finger-like projections on the surface, may serve as olfactory or humidity receptors, whereas type 2 s. coeloconica, smooth with a terminal pore, may be contact chemoreceptors. Also, this is the first report of Böhm' bristles at proximal scape on antennae of Cecidomyiid species potentially functioning as mechanoreceptors. © The Author 2016. Published by Oxford University Press on behalf of the Entomological Society of America.

  11. Synthesis and crystal structure of the dinuclear copper(II) Schiff base complex μ-hydroxido-μ-chlorido-bis{[bis(trans-2-nitrocinnamaldehyde)ethylenediamine]chloridocopper(II)} dichloromethane sesquisolvate.

    Science.gov (United States)

    Barati, Kazem; Clegg, William; Habibi, Mohammad Hossein; Harrington, Ross W; Lalegani, Arash; Montazerozohori, Morteza

    2016-03-01

    Transition metal complexes of Schiff base ligands have been shown to have particular application in catalysis and magnetism. The chemistry of copper complexes is of interest owing to their importance in biological and industrial processes. The reaction of copper(I) chloride with the bidentate Schiff base N,N'-bis(trans-2-nitrocinnamaldehyde)ethylenediamine {Nca2en, systematic name: (1E,1'E,2E,2'E)-N,N'-(ethane-1,2-diyl)bis[3-(2-nitrophenyl)prop-2-en-1-imine]} in a 1:1 molar ratio in dichloromethane without exclusion of air or moisture resulted in the formation of the title complex μ-chlorido-μ-hydroxido-bis(chlorido{(1E,1'E,2E,2'E)-N,N'-(ethane-1,2-diyl)bis[3-(2-nitrophenyl)prop-2-en-1-imine]-κ(2)N,N'}copper(II)) dichloromethane sesquisolvate, [Cu2Cl3(OH)(C20H18N4O4)2]·1.5CH2Cl2. The dinuclear complex has a folded four-membered ring in an unsymmetrical Cu2OCl3 core in which the approximate trigonal bipyramidal coordination displays different angular distortions in the equatorial planes of the two Cu(II) atoms; the chloride bridge is asymmetric, but the hydroxide bridge is symmetric. The chelate rings of the two Nca2en ligands have different conformations, leading to a more marked bowing of one of the ligands compared with the other. This is the first reported dinuclear complex, and the first five-coordinate complex, of the Nca2en Schiff base ligand. Molecules of the dimer are associated in pairs by ring-stacking interactions supported by C-H...Cl interactions with solvent molecules; a further ring-stacking interaction exists between the two Schiff base ligands of each molecule.

  12. Early detection of brain death using the Bispectral Index (BIS) in patients treated by extracorporeal cardiopulmonary resuscitation (E-CPR) for refractory cardiac arrest.

    Science.gov (United States)

    Jouffroy, Romain; Lamhaut, Lionel; Guyard, Alexandra; Philippe, Pascal; An, Kim; Spaulding, Christian; Baud, Frédéric; Carli, Pierre; Vivien, Benoît

    2017-11-01

    Despite increasing use of extracorporeal cardiopulmonary resuscitation (E-CPR) for treatment of refractory cardiac arrest patients, prognosis remains dismal, often resulting in brain-death. However, clinical assessment of brain-death occurence is difficult in post-cardiac arrest patients, sedated, paralyzed, under mild therapeutic hypothermia (MTH). Our objective was to assess the usefulness of Bispectral-Index (BIS) monitoring at bedside for an early detection of brain-death occurrence in refractory cardiac arrest patients treated by E-CPR. This prospective study was performed in an intensive care unit of an university hospital. Forty-six patients suffering from refractory cardiac arrest treated by E-CPR were included. BIS was continuously recorded during ICU hospitalization. Clinical brain-death was confirmed when appropriate by EEG and/or cerebral CT angiography. Twenty-nine patients evolved into brain-death and had average BIS values under MTH and after rewarming (temperature ≥35°C) of 4 (0-47) and 0 (0-82), respectively. Among these, 11 (38%) entered into a procedure of organs donation. Among the 17 non-brain-dead patients, the average BIS values at admission and after rewarming were 39 (0-65) and 59 (22-82), respectively. Two patients had on admission a BIS value equal to zero and evolved to a poor prognostic (CPC 4) and died after care limitations. BIS values were significantly different between patients who developed brain death and those who did not. In both groups, no differences were observed between the AUCs of ROC curves for BIS values under MTH and after rewarming (respectively 0.86 vs 0.83, NS). Initial values of BIS could be used as an assessment tool for early detection of brain-death in refractory cardiac arrest patients treated by mild therapeutic hypothermia and E-CPR. Copyright © 2017 Elsevier B.V. All rights reserved.

  13. Regio- and diastereo-controlled synthesis of bis(formylmethano)[60]fullerenes and their application to the formation of [60]fullerene pearl-necklace polyimines

    OpenAIRE

    Saigo, Kazuhiko; Ito, Hiroshi; Ishida, Yasuhiro

    2006-01-01

    The tether-directed method was firstly applied to the biscyclopropanation of [60]fullerene via the addition?elimination reaction of bis(sulfonium ylide)s to give bis(formylmethano)[60]fullerenes with satisfactory regio- and stereoselectivity. The equatorial-bisadduct thus obtained was used for the polycondensation with an aromatic diamine to afford the corresponding pearl-necklace polyimine with satisfactorily high degree of polymerization.

  14. 40 CFR 721.9530 - Bis(2,2,6,6-tetra-methyl-piper-idinyl) ester of cycloalkyl spir-o-ke-tal.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Bis(2,2,6,6-tetra-methyl-piper-idinyl) ester of cycloalkyl spir-o-ke-tal. 721.9530 Section 721.9530 Protection of Environment ENVIRONMENTAL... Significant New Uses for Specific Chemical Substances § 721.9530 Bis(2,2,6,6-tetra-methyl-piper-idinyl) ester...

  15. Effects of alkyl chain length and substituent pattern of fullerene bis-adducts on film structures and photovoltaic properties of bulk heterojunction solar cells.

    Science.gov (United States)

    Tao, Ran; Umeyama, Tomokazu; Kurotobi, Kei; Imahori, Hiroshi

    2014-10-08

    A series of alkoxycarbonyl-substituted dihydronaphthyl-based [60]fullerene bis-adduct derivatives (denoted as C2BA, C4BA, and C6BA with the alkyl chain of ethyl, n-butyl, and n-hexyl, respectively) have been synthesized to investigate the effects of alkyl chain length and substituent pattern of fullerene bis-adducts on the film structures and photovoltaic properties of bulk heterojunction polymer solar cells. The shorter alkyl chain length caused lower solubility of the fullerene bis-adducts (C6BA > C4BA > C2BA), thereby resulting in the increased separation difficulty of respective bis-adduct isomers. The device performance based on poly(3-hexylthiophene) (P3HT) and the fullerene bis-adduct regioisomer mixtures was enhanced by shortening the alkyl chain length. When using the regioisomerically separated fullerene bis-adducts, the devices based on trans-2 and a mixture of trans-4 and e of C4BA exhibited the highest power conversion efficiencies of ca. 2.4%, which are considerably higher than those of the C6BA counterparts (ca. 1.4%) and the C4BA regioisomer mixture (1.10%). The film morphologies as well as electron mobilities of the P3HT:bis-adduct blend films were found to affect the photovoltaic properties considerably. These results reveal that the alkyl chain length and substituent pattern of fullerene bis-adducts significantly influence the photovoltaic properties as well as the film structures of bulk heterojunction solar cells.

  16. Synthesis of oxa-bridged derivatives from Diels–Alder bis-adducts of butadiene and 1,2,3,4-tetrahalo-5,5-dimethoxycyclopentadiene

    Directory of Open Access Journals (Sweden)

    Faiz Ahmed Khan

    2010-06-01

    Full Text Available Bis-adducts of 1,2,3,4-tetrahalo-5,5-dimethoxycyclopentadiene and 1,3-butadiene, generated in situ from 3-sulfolene, have been synthesized in excellent yield. Ruthenium catalyzed oxidation of the bis-adducts followed by a one-pot transformation of the resulting α-diketone furnished oxa-bridged compounds. Unambiguous stereochemical assignments of both diastereomeric series are reported.

  17. Supramolecular tetrad featuring covalently linked bis(porphyrin)-phthalocyanine coordinated to fullerene: construction and photochemical studies.

    Science.gov (United States)

    K C, Chandra B; Lim, Gary N; Karr, Paul A; D'Souza, Francis

    2014-06-16

    A multimodular donor-acceptor tetrad featuring a bis(zinc porphyrin)-(zinc phthalocyanine) ((ZnP-ZnP)-ZnPc) triad and bis-pyridine-functionalized fullerene was assembled by a "two-point" binding strategy, and investigated as a charge-separating photosynthetic antenna-reaction center mimic. The spectral and computational studies suggested that the mode of binding of the bis-pyridine-functionalized fullerene involves either one of the zinc porphyrin and zinc phthalocyanine (Pc) entities of the triad or both zinc porphyrin entities leaving ZnPc unbound. The binding constant evaluated by constructing a Benesi-Hildebrand plot by using the optical data was found to be 1.17×10(5) M(-1), whereas a plot of "mole-ratio" method revealed a 1:1 stoichiometry for the supramolecular tetrad. The mode of binding was further supported by differential pulse voltammetry studies, in which redox modulation of both zinc porphyrin and zinc phthalocyanine entities was observed. The geometry of the tetrad was deduced by B3LYP/6-31G* optimization, whereas the energy levels for different photochemical events was established by using data from the optical absorption and emission, and electrochemical studies. Excitation of the zinc porphyrin entity of the triad and tetrad revealed ultrafast singlet-singlet energy transfer to the appended zinc phthalocyanine. The estimated rate of energy transfer (k(ENT)) in the case of the triad was found to be 7.5×10(11) s(-1) in toluene and 6.3×10(11) s(-1) in o-dichlorobenzene, respectively. As was predicted from the energy levels, photoinduced electron transfer from the energy-transfer product, that is, singlet-excited zinc phthalocyanine to fullerene was verified from the femtosecond-transient spectral studies, both in o-dichlorobenzene and toluene. Transient bands corresponding to ZnPc(⋅+) in the 850 nm range and C60(⋅-) in the 1020 nm range were clearly observed. The rate of charge separation, k(CS), and rate of charge recombination, k

  18. Synthesis of palladium(0) and -(II) complexes with chelating bis(N-heterocyclic carbene) ligands and their application in semihydrogenation.

    Science.gov (United States)

    Sluijter, Soraya N; Warsink, Stefan; Lutz, Martin; Elsevier, Cornelis J

    2013-05-28

    A transmetallation route, using silver(I) precursors, to several zero- and di-valent palladium complexes with chelating bis(N-heterocyclic carbene) ligands bearing various N-substituents has been established. The resulting complexes have been characterized by NMR and mass spectroscopy. In addition, the structure of a representative compound, [Pd(0)(bis-(Mes)NHC)(η(2)-ma)] (3a), was confirmed by X-ray crystal structure determination. In contrast to the transfer semihydrogenation, in which only low activity was observed, complex 3a showed activity (TOF = 49 mol(sub) mol(cat)(-1) h(-1)) and selectivity comparable to its monodentate counterparts in the semihydrogenation of 1-phenyl-1-propyne with molecular hydrogen.

  19. Oxidative Addition of Carbon–Carbon Bonds with a Redox-Active Bis(imino)pyridine Iron Complex

    OpenAIRE

    Darmon, Jonathan M.; Stieber, S. Chantal E.; Sylvester, Kevin T.; Fernández, Ignacio; Lobkovsky, Emil; Semproni, Scott P.; Bill, Eckhard; Wieghardt, Karl; DeBeer, Serena; Chirik, Paul J.

    2012-01-01

    Addition of biphenylene to the bis(imino)pyridine iron dinitrogen complexes, (iPrPDI)Fe(N2)2 and [(MePDI)Fe(N2)]2(μ2-N2) (RPDI = 2,6-(2,6-R2—C6H3— N=CMe)2C5H3N; R = Me, iPr), resulted in oxidative addition of a C—C bond at ambient temperature to yield the corresponding iron biphenyl compounds, (RPDI)Fe-(biphenyl). The molecular structures of the resulting bis-(imino)pyridine iron metallacycles were established by X-ray diffraction and revealed idealized square pyramidal geometries. The electr...

  20. Study of sulfur adlayers on Au(1 1 1) from basic hydrolysis of piperazine bis(dithiocarbamate) sodium salt

    Energy Technology Data Exchange (ETDEWEB)

    Martínez, Javier A. [Instituto de Ciencia y Tecnología de Materiales (IMRE), Universidad de La Habana, Zapata y G, El Vedado, Plaza de la Revolución, La Habana 10400 (Cuba); Valenzuela, José [Centro de Nanociencias y Nanotecnología (CNyN), Universidad Nacional Autónoma de México (UNAM), km 107 Carretera Tijuana-Ensenada, Ensenada, BC 22860 (Mexico); Hernandez-Tamargo, Carlos E. [Laboratorio de Química Computacional y Teórica (LQCT), Facultad de Química, Universidad de La Habana, Zapata y G, El Vedado, Plaza de la Revolución, La Habana 10400 (Cuba); Cao-Milán, Roberto [Laboratorio de Bioinorgánica (LBI), Facultad de Química, Universidad de La Habana, Zapata y G, El Vedado, Plaza de la Revolución, La Habana 10400 (Cuba); Herrera, José A. [Instituto de Ciencia y Tecnología de Materiales (IMRE), Universidad de La Habana, Zapata y G, El Vedado, Plaza de la Revolución, La Habana 10400 (Cuba); Díaz, Jesús A.; Farías, Mario H. [Centro de Nanociencias y Nanotecnología (CNyN), Universidad Nacional Autónoma de México (UNAM), km 107 Carretera Tijuana-Ensenada, Ensenada, BC 22860 (Mexico); Mikosch, Hans [Institute of Chemical Technologies and Analytics, Vienna University of Technology, Getreidemarkt 9/E164-EC, 1060 Vienna (Austria); and others

    2015-08-01

    Highlights: • S adlayer formation from descomposition of piperazine bis(dithiocarbamate) sodium salt under alkaline conditions. • Quasi-rectangular octomers (eight sulfur atoms) coexist with another phase. • A DFT surface model of four S-dimers arranged as octomers reproduced real STM images. - Abstract: Sulfur adlayers on Au(1 1 1) were obtained after the interaction of a gold substrate with an alkaline solution of piperazine bis(dithiocarbamate) sodium salt. Characterization of the sulfur modified gold surface was performed by means of X-Ray Photoelectron Spectroscopy (XPS), Scanning Tunneling Microscopy (STM) and Density Functional Theory (DFT) calculations. XPS signals indicated the presence of S–Au bonds, monomeric and polymeric sulfur, and absence of nitrogen and sodium. Images from STM showed the formation of quasi-rectangular octomers in coexistence with another phase. A DFT model using the arrangement of sulfur dimers on the Au(1 1 1) surface effectively reproduced the experimental STM images.