bluuebunny/crossref_metadata_2025 huggingface dataset:
Software used for diploma thesis at Geoinformatics VSB-TUO
Authors: Růžička Jan
Published: February 2015

The paper describes software usage for diploma thesis presented by VSB-TUO students during students conference GISáček. A prepared statistics was build from papers available at web pages of the conference. The prepared statistics is not complete clear view on this area, but I do not have any other simple way how to prepare such statistics.
The statistics was build just from the text of the papers. If a student mentioned any software than it is included in the statistics. Summarized results are presented at the following figures with some general comments, that can be useful.
The statistics is prepared only for years 2000 – 2006. A last year of the conference was not included, because of problems with availability of the proceedings.Software is categorized to three categories. A category fee contains only software that must be payed. This category includes software that can be obtained by students free of charge, but for firm usage must be payed. A category without fee includes software that can be used free of charge even for firm purposes, but is not available as an open source software. The last category open source includes open source software and in a case of this statistics, all open source software mentioned by students is free of charge as well.
Change Detection with GRASS GIS – Comparison of images taken by different sensors
Authors: Fuchs Michael , Hoffmann Rainer , Schwonke Friedhelm
Published: February 2015

Images of American military reconnaissance satellites of the Sixties (CORONA) in combination with modern sensors (SPOT, QuickBird) were used for detection of changes in land use. The pilot area was located about 40 km northwest of Yemen’s capital Sana’a and covered approximately 100 km2 . To produce comparable layers from images of distinctly different sources, the moving window technique was applied, using the diversity parameter. The resulting difference layers reveal plausible and interpretable change patterns, particularly in areas where urban sprawl occurs.
The comparison of CORONA images with images taken by modern sensors proved to be an additional tool to visualize and quantify major changes in land use. The results should serve as additional basic data eg. in regional planning.
The computation sequence was executed in GRASS GIS.
Toolbar icons for GIS applications
Authors: Szczepanek Robert
Published: February 2015

Graphical user interface is an important element of today software. Discussion on design aspects of toolbar icons is presented. Three concepts related to GIS applications are proposed.  Preliminary icon set gis-0.1 oriented to usability and simplicity is outlined.
GUI pro orchestraci GeoWebových služeb
Authors: Klímek František
Published: February 2015

Součástí výzkumného projektu "Orchestrace služeb pro GeoWeb" GA 205/07/0797 řešeného na Institutu geoinformatiky VŠB-TU Ostrava, zabývajícího se možností orchestrace webových služeb z oblasti GIS a ověřením praktických možností dostupných jazyků pro popis a plánování obchodních procesů je i část zabývající se návrhem grafického uživatelského rozhraní, které by umožňovalo uživatelům na různých úrovních funkcionality pracovat s těmito orchestry služeb. Jaká je míra funkcionality, kterou jednotliví uživatelé požadují? Má jim být umožněno vyhledávat orchestry, spouštět je, parametrizovat, upravovat, či dokonce navrhovat? Na tyto otázky se snaží odpovědět následující řádky, ve kterých jsou shrnuty základní údaje o orchestraci v oblasti GeoWebu, analýza a popis charakteristik jednotlivých uživatelů i návrh samotného grafického rozhraní koncového uživatele a popis komponent, které by měl být v tomto rozhraní pro práci s orchestry k dispozici.
On scripting GRASS GIS: Building location-independent command line tools
Authors: Loewe Peter
Published: February 2015

This paper discusses scripting techniques within the context of GRASS GIS. After an overview over scripting for interactive GRASS sessions, it is shown how GRASS GIS-provided functionality can be used for external applications. This approach of external scripting allows for the application of GRASS GIS-based functionality to be used for standalone applications and embedding in larger automated workflows.
Modern Algorithms for Real-Time Terrain Visualization on Commodity Hardware
Authors: Bartoň Radek
Published: February 2015

The amount of input data acquired from a remote sensing equipment is rapidly growing.  Interactive visualization of those datasets is a necessity for their correct interpretation. With the ability of modern hardware to display hundreds of millions of triangles per second, it is possible to visualize the massive terrains at one pixel display error on HD displays with interactive frame rates when batched rendering is applied. Algorithms able to do this are an area of intensive research and a topic of this article. The paper first explains some of the theory around the terrain visualization, categorizes its algorithms according to several criteria and describes six of the most significant methods in more details.
Alogliptin – the new member of DPP-4 inhibitors class
Authors: Petunina Nina Aleksandrovna , Terekhova Anna Leont'evna
Published: February 2015

This review presents data on the efficacy and safety of alogliptin, a new representative of the DPP-4 inhibitors, in adult patients with type2 diabetes mellitus (DM type 2) as monotherapy or in combination with metformin, pioglitazone, glibenclamide and insulin.
Diagnosis and treatment of central diabetes insipidus
Authors: Pigarova Ekaterina Aleksandrovna , Dzeranova Larisa Konstantinovna
Published: February 2015

Diabetes insipidus represents a serious disease that dramatically interferes with the everyday life of patients due to the need to constantly replenish of fluid lost in the urine, which comes amid shortage of synthesis, secretion or action of pituitary hormone vasopressin. The main difficulty is the differential diagnosis of types of diabetes insipidus in patients with the syndrome of polydipsia-polyuria as the correct differential diagnosis of these forms predetermine the safety and efficacy of further treatment. This lecture presents the current concepts of etiology, diagnosis and treatment of central diabetes insipidus (CDI). We give the comparative characteristics of various preparations of desmopressin for the treatment of the central form of the disease. We also consider the features of the management of selected patient populations with CDI: during pregnancy and lactation, pathology of the thirst sensation, after traumatic brain injury and neurosurgery.
Neuroendocrine control of the sympathetic nervous system in obesity
Authors: Machekhina Lyubov' Viktorovna
Published: February 2015

Neuroendocrine control of the sympathetic nervous system in obesity
Osteoporotic fractures in obesity
Authors: Yalochkina Tatyana Olegovna
Published: February 2015

Osteoporotic fractures in obesity
Effect of metformin on skeletal muscle in cardiotoxin-induced degeneration.
Authors: Borodich Tatyana Sergeevna
Published: February 2015

Effect of metformin on skeletal muscle in cardiotoxin-induced degeneration.
CREB3L3 transcription factor controls energy homeostasis and improves Obesity and diabetes.
Authors: Borodich Tatyana Sergeevna
Published: February 2015

CREB3L3 transcription factor controls energy homeostasis and improves Obesity and diabetes.
Wie interagieren Nutzer mit Text- und Bildinformationen in einem Wikipedia-Artikel?
Authors: Rösch Barbara
Published: February 2015

Das Dissertationsprojekt mit dem Arbeitstitel „Text-Bild-Verhältnis in der Online-Enzyklopädie Wikipedia“ untersucht die Gestaltung von Text- und Bildelementen in ausgewählten Wikipedia Artikeln und deren Einfluss auf das Rezeptionsverhalten von Nutzern. Als Erhebungsmethodik von Nutzerdaten kamen Experimente zum Blickverhalten, Fragebögen und Wissenstests zum Einsatz. Ziel ist es, Zusammenhänge zwischen der Nutzung von Text- und Bildinformationen und verschiedenen Parametern (wie z. B. Lerntyp, Vorwissen, Studienfach) zu finden.
Genderspezifische Unterschiede im Informationsverhalten am Beispiel E-Commerce
Authors: Schmidt Thomas , Wolff Christian
Published: February 2015

Der Beitrag setzt sich mit der Frage auseinander, inwieweit sich Gender-spezifische Unterschiede beim Informationsverhalten im E-Commerce feststellen lassen. Ausgehend von einer kurzen Einführung in Fragen der Gender-Theorie und in unterschiedliche Verfahren zur Beschreibung des sozialen Geschlechts stellen wir eine Studie vor, bei der aufgabenbasiert Informationsverhalten im E-Commerce am Beispiel des Online-Kaufhauses Amazon erfasst und ausgewertet wurde. Im Ergebnis zeigt sich, dass gerade die Erfassung des sozialen Geschlechts Verhaltensunterschiede verschiedener Gruppen gut herausarbeitet.
Information Behavior – Ein zentrales Forschungsthema der Informationswissenschaft
Authors: Elsweiler David , Hammwöhner Rainer
Published: February 2015

In diesem Beitrag wird die Beobachtung des Informationsverhaltens als zentraler methodischer Ansatz der informationswissenschaftlicher Forschung identifiziert, der auch unter Anerkennung terminologischer, evtl. sogar ontologischer Grundannahmen eine Kooperation über die Grenzen etablierter Paradigmata hinaus erlaubt.
Max-Min and Min-Max Gray Association Degree-Based Method for Multiattribute Decision Making
Authors: Dong Jiu-Ying , Wan Shu-Ping
Published: February 2015

A new method of multiattribute decision making is proposed based on the max-min and min-max gray association degree. The gray association coefficients between the alternative, positive ideal solution and negative ideal solution are defined. Here, we construct a bi-objective programming model that maximizes the minimum gray association degree and minimizes the maximum gray association degree simultaneously. By using the linear weighted summation method, the bi-objective programming model is transformed into a linear programming model. Thus, we can obtain the weight vector of attributes by solving the linear programming model. The ranking order of alternatives is generated according to the relative closeness. A numerical example is examined to demonstrate the applicability and implementation process of the decision method proposed in this paper.
A Light Visual Mapping and Navigation Framework for Low-Cost Robots
Authors: Bazeille Stephane , Battesti Emmanuel , Filliat David
Published: February 2015

We address the problems of localization, mapping, and guidance for robots with limited computational resources by combining vision with the metrical information given by the robot odometry. We propose in this article a novel light and robust topometric simultaneous localization and mapping framework using appearance-based visual loop-closure detection enhanced with the odometry. The main advantage of this combination is that the odometry makes the loop-closure detection more accurate and reactive, while the loop-closure detection enables the long-term use of odometry for guidance by correcting the drift. The guidance approach is based on qualitative localization using vision and odometry, and is robust to visual sensor occlusions or changes in the scene. The resulting framework is incremental, real-time, and based on cheap sensors provided on many robots (a camera and odometry encoders). This approach is, moreover, particularly well suited for low-power robots as it is not dependent on the image processing frequency and latency, and thus it can be applied using remote processing. The algorithm has been validated on a Pioneer P3DX mobile robot in indoor environments, and its robustness is demonstrated experimentally for a large range of odometry noise levels.
Are Commercial Ceilings Appropriate for the Regulation of Free-to-Air TV Channels?
Authors: Rothbauer Julia , Sieg Gernot
Published: February 2015

Commercial ceilings not only restrict broadcasters in their decisions about commercial broadcasting time, but also affect their differentiation of program content. This study examines the welfare effects of commercial ceilings in a two-sided free-to-air TV market, taking into account welfare with respect to content differentiation. We identify a second-best commercial ceiling that maximizes welfare in the absence of enforceable program content regulation and identify the situations in which laissez faire is optimal. The deregulation of commercial broadcasting can improve welfare, even if the laissez-faire level of commercial broadcasting time is excessive.
Risk Aversion and Social Networks
Authors: Kovářík Jaromír , van der Leij Marco J.
Published: February 2015

This paper first investigates empirically the relationship between risk aversion and social network structure in a large group of undergraduate students. We find that risk aversion is strongly correlated to local network clustering, that is, the probability that one has a social tie to friends of friends. We then propose a network formation model that generates this empirical finding, suggesting that locally superior information on benefits makes it more attractive for risk averse individuals to link to friends of friends. Finally, we discuss implications of this model. The model generates a positive correlation between local network clustering and benefits, even if benefits are distributed independently ex ante. This provides an alternative explanation of this relationship to the one given by the social capital literature. We also establish a linkage between the uncertainty of the environment and the network structure: risky environments generate more clustered and more unequal networks in terms of connectivity.
Inferring bi-directional interactions between circadian clock genes and metabolism with model ensembles
Authors: Grzegorczyk Marco , Aderhold Andrej , Husmeier Dirk
Published: February 2015

There has been much interest in reconstructing bi-directional regulatory networks linking the circadian clock to metabolism in plants. A variety of reverse engineering methods from machine learning and computational statistics have been proposed and evaluated. The emphasis of the present paper is on combining models in a model ensemble to boost the network reconstruction accuracy, and to explore various model combination strategies to maximize the improvement. Our results demonstrate that a rich ensemble of predictors outperforms the best individual model, even if the ensemble includes poor predictors with inferior individual reconstruction accuracy. For our application to metabolomic and transcriptomic time series from various mutagenesis plants grown in different light-dark cycles we also show how to determine the optimal time lag between interactions, and we identify significant interactions with a randomization test. Our study predicts new statistically significant interactions between circadian clock genes and metabolites in
Preparation and Characterization of 2-Phenoxyethyl(thiophen-2-yl)tellane (C4H3S)TeCH2CH2OC6H5
Authors: Vigo Ludmila , Oilunkaniemi Raija , Laitinen Risto S.
Published: February 2015

The synthesis and structure of (C4H3S)TeCH2CH2OC6H5 (1) (C4H3S = thiophen-2-yl) are reported and compared to those of the analogous selenium compound (C4H3S)SeCH2CH2OC6H5 previously synthesized by our group. The compound was characterized by 1H, 13C{1H}-, and 125Te- NMR spectroscopy as well as by X-ray single crystal crystallography. 1 crystallizes in the monoclinic crystal system, space group P21, with Z = 2, and unit cell dimensions a = 10.618(2) Å , b = 5.357(1) Å , c = 10.684(2) Å , β = 96.57(3)°. The lattice is composed of discrete molecules that are joined together by weak hydrogen bonds into a three-dimensional network. The thiophen-2-yl ring is disordered and shows two alternative orientations with the site occupation factors of 0.70(1) and 0.30(1). All bond parameters are quite normal. The comparison of the lattices in 1 and in its selenium anologue shows that while the closest intermolecular contacts are similar, the packing of the molecules is different.
Crystal Structures of Piperazinium Tetrahalogenometallates (II) [C4H12N2]MX4 (M = Zn, Hg; X = Br, I)
Authors: Ishihara Hideta , Horiuchi Keizo , Svoboda Ingrid , Fuess Hartmut , Gesing Thorsten M. , Buhl J.-Christian , Terao Hiromitsu
Published: February 2015

The crystal structures of piperazinium tetrahalogenometallates (II) [C4H12N2]MX4(M = Zn, Hg; X = Br, I), orthorhombic with space group P212121 and Z = 4 are isostructural with [C4H12N2]CdI4. The structure consists of piperazinium cations and isolated tetrahedralMX4 anions. [C4H12N2]ZnBr4 (1): a = 850.4(2), b = 1146.5(3), and c = 1228.4(4) pm at 300(2) K, [C4H12N2]ZnI4 (2): a = 886.89(6), b = 1209.11(9), and c = 1293.79(9) pm at 223(2) K, [C4H12N2]HgBr4 (3): a = 865.48(14), b = 1158.7(3), and c = 1233.3(2) pm at 293(2) K, [C4H12N2]HgI4 (4): a = 899.6(2), b = 1230.0(2), and c = 1299.5(3) pm at 293(2) K. All crystals show a structural phase transition at about 560 K and decomposition temperatures above 600 K. The lattice stability of the crystals is well explained by N-H · · · X hydrogen bond networks.
Tithoniaquinone A and Tithoniamide B: A New Anthraquinone and a New Ceramide from Leaves of Tithonia diversifolia
Authors: Bouberte Meffo Yemele , Krohn Karsten , Hussain Hidayat , Dongo Etienne , Schulz Barbara , Hu Qunxiu
Published: February 2015

From the leaves of Tithonia diversifolia, four compounds were isolated and identified. Two of them, the anthraquinone tithoniquinone A (1) with an unusual substitution pattern on the anthraquinone skeleton, and the ceramide, named tithoniamide B (2a), are reported for the first time as natural products. Their structures were determined by comprehensive analyses of their 1D and 2D NMR and electron impact (EI) mass spectral data. The remaining two known compounds were identified as psoralen and l-quebrachitol. Preliminary studies showed that tithoniaquinone A (1) is strongly antibacterial and antifungal against Gram-positive Bacillus megaterium and Microbotryum violaceum, respectively, while psoralen has strong algicidal, fungicidal, and antibacterial activities.
Synthese von 6-Thioxo-1,2,5-oxadiazinan-3-onen und Umwandlung in 3-Amino-2-thiohydantoine und 3-Hydroxy-2-thiohydantoine / Synthesis of 6-Thioxo-1,2,5-oxadiazinan-3-ones and Transformation into 3-Amino-2-thiohydantoins and 3-Hydroxy-2-thiohydantoins
Authors: Geffken Detlef , Ploetz Alf
Published: February 2015

6-Thioxo-1,2,5-oxadiazinan-3-ones 5, easily available by cyclic thiocarbonylation of Nα ,Ndisubstituted α-aminocarbohydroxamic acids 4 with 1,1′-thiocarbonyldiimidazole, are transformed by hydrazine or hydroxylamine into 3-amino-2-thiohydantoins 6 and 3-hydroxy-2-thiohydantoins 7.
Dammarane and Ceanothane Triterpenes from Zizyphus glabrata
Authors: Ganapaty Seru , Thomas Pannakal S. , Ramana Kancharalapalli V. , Karagianis Gloria , Waterman Peter G.
Published: February 2015

From the leaves of Zizyphus glabrata, a new dammarane-type triterpene, pseudojujubogenin -3-O- β -D-glucopyranoside, along with the known ceanothane triterpenes, granulosic acid, ceanothic acid and daucosterol were isolated. The structures of the compounds were fully characterized by detailed NMR investigations including 1H and 13C NMR, HSQC, COSY, HMBC and NOESY experiments. In addition, the dammarane glycoside was tested for its potential to inhibit various bacteria and was found to possess significant bactericidal activity. The 1H, 13C and full 2D-NMR data on granulosic acid has also been presented. This is the first report on the chemical constituents of the leaves of Z. glabrata.
Synthesis and Antimycobacterial and Antiprotozoal Activities of Some Novel Nitrobenzylated Heterocycles
Authors: Górska Agata , Chomicz Lidia , Żebrowska Justyna , Myjak Przemysław , Augustynowicz-Kopeć Ewa , Zwolska Zofia , Piekarczyk Janusz , Rebandel Henryk , Kazimierczuk Zygmunt
Published: February 2015

A series of N-, S-, and O-mononitro- and dinitrobenzyl derivatives of heterocycles was synthesized by alkylation of heterocyclic bases with the respective nitrobenzyl chlorides. Of the newly synthesized compounds, dinitrobenzylsulfanyl derivatives of 1-methyl-2-mercaptoimidazole (2c) and of 5-nitro- and 5,6-dichloro-2-mercaptobenzimidazole (8b and 8c, and 8e and 8f, respectively) showed considerable antimycobacterial activity. On a molar basis, nine of the novel compounds showed also a considerably higher antiprotozoal efficacy than metronidazole that reduced T. hominis viability to 73.5% at 8 μg/ml.
(R)-5-[(1R,2R)-1-Ethyl-2- (4-oxocyclohexyl)butyl]oxepan-2-one, an Enantiopure ‘Pseudosteroid′
Authors: Kluess Brigitte , Kreiser Wolfgang , Sukri Tony , Poll Wolfgang , Wunderlich Hartmut
Published: February 2015

The title compound C18H30O3 represents an optically pure member of a class of ‘pseudosteroids’, i. e. perhydrostilbene derivatives which mimic steroidal androgens (in the way like hexestrols or stilbestrols serve to substitute natural estrogens). The molecule 2 is characterized by three consecutive chiral centers leading to eight possible stereoisomers including four diastereomers. All enantiomers have been separated and their biological profile has been determined. As the result of the crystal structure presented here the two symmetry independent molecules display the configuration R,R,R at the centers of chirality.
Synthesis, Crystal Structure, Spectroscopic and Thermal Properties of a Novel Mixed Ligand Copper(II) Complex with 5,5-Dimethylhydantoin and Benzylamine
Authors: Taş Murat , Soylu Serkan , Batı Hümeyra
Published: February 2015

The crystal structure of the newly synthesized complex, trans-aqua-bis(benzylamino)-bis(5,5-dimethylhydantoinato) copper(II) was determined by X-Ray single crystal data. The thermal analyses, FT-IR and magnetic susceptibility data are also presented. The complex crystallizes in the monoclinic system, space group C2. The complex features a distorted square pyramidal [CuN4O] coordination with 5,5-dimethylhydantoinato, benzylamine and water ligands. The 5,5-dimethylhydantoinato anion is bonded to the copper(II) ion via its deprotonated N atom in the 3-position.
Ferromagnetic Ordering in the Thallide EuPdTl2
Authors: Kraft Rainer , Rayaprol Sudhindra , Sebastian C. Peter , Pöttgen Rainer
Published: February 2015

The new thallide EuPdTl2, synthesized from the elements in a sealed tantalum tube in a highfrequency furnace, was investigated by X-ray diffraction on powders and single crystals: MgCuAl2 type, Cmcm, Z = 4, a = 446.6(1), b = 1076.7(2), c = 812.0(2) pm, wR2 = 0.0632, 336 F2 values, 16 variables. The structure can be considered as an orthorhombically distorted, palladium-filled variant of the binary Zintl phase EuTl2. The palladium and thallium atoms build up a three-dimensional [PdTl2] polyanion with significant Pd-Tl (286 - 287 pm) and Tl-Tl (323 - 329 pm) interactions. The europium atoms fill distorted hexagonal channels of the [PdTl2] polyanion. Susceptibility measurements show a magnetic moment of 7.46(5) μB/Eu atom, indicative of divalent europium. EuPdTl2 is a soft ferromagnet with a Curie temperature of TC = 12.5(5) K.
Preparation of Geminal Donor-Acceptor Units by Reactions of Low Valent Metal Halides with Iminium Chlorides
Authors: Tian Xin , Hagemann Michael , Fröhlich Roland , Pape Tania , Mitzel Norbert W.
Published: February 2015

The organogallium compound [{Me2NCH2Ga(Cl,I)2}2] (1) and the organoindium compounds [Me2NCH2In(Cl,Br)2]2 (2) and [Me2NCH2InCl2]2 (3) have been prepared by the reactions of the low valent metal halides “GaI”, InBr and InCl with the iminium salt [Me2N=CH2]Cl. Compounds 1 and 2 are heterohalogen mixtures. These compounds were characterised by NMR spectroscopy and mass spectrometry, 1 furthermore by single crystal X-ray diffraction and 3 by elemental analysis. During the work-up procedure, minor amounts of hydrogen halide adducts of compounds 2 and 3 were isolated as single crystals, which contain a further equivalent of THF. These zwitter-ionic species Me2N(H)CH2In(Br,Cl)3·THF (2·H(Cl,Br)·THF) and Me2N(H)CH2InCl3 ·THF (3 ·HCl ·THF) were identified by single crystal X-ray diffraction. Methylation reactions of compounds 1 and 2 with MeLi gave two well-established compounds [{Me2NCH2GaMe2}2] and [{Me2NCH2InMe2}2], which were obtained previously by different preparation procedures.
A New Type of Non-Kekulé Diradicals with Triplet Ground States. I. Polymethine Systems
Authors: Tyutyulkov Nikolai , Drebov Nedko , Müllen Klaus , Dietz Fritz
Published: February 2015

It is shown theoretically that the ground state of a new class of non-Kekulé polymethine molecules can be a triplet state with non-degenerate singly occupied MOs. The investigated polymethine cyanine cations, polymethine oxonol anions, and neutral polymethine merocyanines are derivatives of the stable 2-azaphenalenyl radical whose pentamethine fragment is part of the polymethine chain.
Zinc-Mediated Synthesis of Diaryl Selenides from Diaryl Diselenides and Diaryliodonium Salts in Aqueous Media
Authors: Movassagh Barahman , Fazelia Azadeh
Published: February 2015

An efficient synthetic method has been developed for the preparation of symmetrical and unsymmetrical diaryl selenides through a one-pot reaction of diaryl diselenides and diaryliodonium salts in the presence of Zn/AlCl3 system in aqueous media.
Solid State Synthesis of CaMnO3 from CaCO3-MnCO3 Mixtures by Mechanical Energy
Authors: Berbenni Vittorio , Milanese Chiara , Bruni Giovanna , Cofrancesco Pacifico , Marini Amedeo
Published: February 2015

A solid state synthesis of calcium manganite (CaMnO3) is described where equimolecular mixtures CaCO3:MnCO3 have been subjected to mechanical stress (high energy milling) so yielding CaCO3-MnCO3 solid solutions of nanometric particle size. TG measurements have shown that a link exists between milling time, the extent of non-stoichiometry and the milling-induced decomposition of MnCO3 to Mn3O4. A short (2 h) annealing at 850 °C performed on a sample mixture milled for 25 h leads to non-stoichiometric CaMnO3−x. No sure conclusion could be drawn for the stoichiometry of CaMnO3 obtained, under the same annealing conditions, from a mixture milled for longer time (150 h). No synthesis of CaMnO3 could be effected by long (48 h) annealing at 1200 °C of mixtures that had not been subjected to mechanical stress.
Synthesis, Spectral and Thermal Properties, and Crystal Structure of Bis(ethylenediamine)(aqua)copper(II) (Bis)syringate Ethylenediamine Dihydrate [Cu(en)2(H2O)](sy)2(en)(H2O)2
Authors: Heren Zerrin , Pa§aoğlu Hümeyra , Ka§tas Gökhan , Vurucu Leyla , Büyükgüngör Orhan
Published: February 2015

The complex [Cu(en)2(H2O)](sy)2(en)(H2O)2 has been synthesized and characterized by its electronic and vibrational spectra. The molecular structure of the complex has been determined by X-ray diffraction methods. The complex crystallizes in the orthorhombic space group Pnma with unit-cell parameters a =10.7236(5), b= 20.4660(10), c= 14.4523(11) Å and Z=4. In the cation, the Cu(II) ion has a distorted square pyramidal coordination with two bidendate (en) ligands forming the basal plane and a H2O molecule in the apical position. The complex cations and syringate anions constitute chains along the b axis in -A-B-A- fashion. The members of the chains are linked by through N-H ···O hydrogen bonds. The (en) molecules are responsible for connecting adjacent layers.
Synthesis and Properties of Thiamethoxam and Related Compounds
Authors: Maienfisch Peter
Published: February 2015

The neonicotinoids are the most successful chemical class of insecticides reaching sales of more than $1 billion in 2003, mainly due to the excellent market performance of imidacloprid and thiamethoxam. This paper describes the discovery, the synthesis and the insecticidal activity of thiamethoxam and related compounds and reports the hydrolytic stability and the degradation pathways of thiamethoxam together with the synthesis of the degradation products
Monocyclische und spirocyclische Boronium-Verbindungen: Altes und Neues von einer bisher weitgehend unbeachteten Stoffklasse / Monocyclic and Spirocyclic Boronium Compounds – Old and New Aspects of a Hitherto Rather Disregarded Class of Substances
Authors: Hartmann Horst
Published: February 2015

This review deals with the synthesis and spectral properties of monocyclic as well as spirocyclic compounds featuring the 1,3,2-dioxaboronium or 1,3,2-dioxaborinium ring system. These compounds can be obtained by the reaction of three-valent boron compounds with enolisable 1,3- dicarbonyl compounds as well as related aza and imino derivatives
Syntheses and Properties of Di- and Tricationic Hetarenium-Substituted Pyrimidines
Authors: Schmidt Andreas , Mordhorst Thorsten
Published: February 2015

2,4-Dichloro-, 4,6-dichloro-, 2,4,6-trichloro- and tetrachloropyrimidine undergo nucleophilic displacements by 4-(dimethylamino)pyridine to give (pyrimidine-2,4-diyl)-1,1’-bis[4-(dimethylamino) pyridinium] dichloride, (pyrimidine-4,6-diyl)-1,1’-bis[4-(dimethylamino)-pyridinium] dichloride, (pyrimidine-2,4,6-triyl)-1,1’,1”-tris[4-(dimethylamino)pyridinium] trichloride, and (5- chloropyrimidine-2,4,6-triyl)-1,1’,1”-tris[4-(dimethylamino)pyridinium] trichloride, respectively. Nucleophilic substitutions of the pyridinium substituents by O- and S-nucleophiles to functionalized pyrimidines are examined
Nucleoside Analogues from Push-Pull Functionalized Branched-Chain Pyranosides
Authors: Kordian Marcus , Feist Holger , Kantlehner Willi , Michalik Manfred , Peseke Klaus
Published: February 2015

The reaction of methyl 4,6-O-benzylidene-2-deoxy-α-D-erythro-hexopyranosid-3-ulose (1) with ethynylmagnesium bromide in tetrahydrofuran and subsequent trimethylsilylation yielded the methyl 4,6-O-benzylidene-2-deoxy-3-C-ethynyl-3-O-trimethylsilyl-α-D-ribo-hexopyranoside (3). Push-pull functionalization of 3 with N,N,N′,N′,N″,N″-hexamethylguanidinium chloride under basic conditions and following deprotection afforded the spiro{2,5-dihydro-3-dimethylamino- furan-2,8’-4’,4’a,6’,7’,8’,8’a-hexahydro-6’-methoxy-2’-phenyl-pyrano[3,2-d][1.3]dioxine}- 5-ylidenemalononitrile (9). Furthermore, compound 1 reacted with N,N-dimethylformamide dimethylacetal to furnish methyl (E)-4,6-O-benzylidene-2-deoxy-2-dimethylaminomethylene-α-Derythro- hexopyranosid-3-ulose (10). Treatment of 10 with methylhydrazine and amidines yielded (4S,5aR,8R,9aS)-2,5a,6,9a-tetrahydro-4-methoxy-2-methyl-8-phenyl-4H-[1,3]dioxino[4’,5’:5,6]- pyrano[4,3-c]pyrazole (11a) and (2R,4aR,6S,10bS)-4,4a,6,10b-tetrahydro-6-methoxy-2-phenyl- [1,3]dioxino[4’,5’:5,6]pyrano[4,3-d]pyrimidines 12, respectively
Introduction of Substituents on the 2-Oxo-piperazine Skeleton by [3+2] Cycloaddition and Subsequent Transformation
Authors: Wierschem Frank , Rück-Braun Karola
Published: February 2015

The 3,4-substituted 2-oxo-piperazines 5 - 9 are obtained by [3+2] cycloaddition from nitrone 1 and a variety of alkenes. Subsequent functionalization of the bicyclic adducts involves reductive N-O bond cleavage. A route towards libraries of immobilized 1,3-aminoalcohols with a 3,4-substituted 2-oxo-piperazine scaffold is briefly discussed for adducts derived from N-substituted maleic imides
Crystal Structure of Poly[(μ3-iodo)(2-ethylpyrazine-N)-silver(I)] Containing a Novel AgX 63 Net
Authors: Beck Andreas , Näther Christian
Published: February 2015

Reaction of silver(I) iodide with 2-ethylpyrazine yields crystals of the new coordination polymer poly[(μ3-iodo)(2-ethylpyrazine-N)-silver(I)]. In the crystal structure a novel AgI substructure has been found which consists of a 63 net of alternating Ag and I atoms forming layers which are parallel to the a-b-plane. The 2-ethylpyrazine ligands are located above and below each layer and are coordinated only with one nitrogen atom to the silver atoms. The layers are stacked perpendicular to the c-axis and are connected only by weak van der Waals interactions. On heating the compound looses all ligands and transforms directly into AgI without the formation of a ligand poor intermediate compound.
peri-Interactions in Naphthalenes, 14 [1]. Pyramidalization versus Planarization at Nitrogen in 8-Dialkylamino-naphth-1-yl Compounds as a Measure of peri Bond Formation
Authors: Schiemenz Günter Paulus
Published: February 2015

The degree of pyramidalization at the N atom of the title compounds permits to distinguish between covalent bond type attraction and other attractive forces. Most so-called coordinative bonds exhibit the features of normal covalent bonds. While such bonds emanating from third or higher period atoms may be rather long, their stretchability is limited, and corresponding interatomic distances are an insufficient criterion for two-electron dative bonds.
Kinetic Study on the Esterification of Hexanoic Acid with N,N-Dialkylamino Alcohols: Evidence for an Activation by Hydrogen Bonding
Authors: Breitenlechner Stefan , Bach Thorsten
Published: February 2015

The pseudo-first order rate constant for the esterification of hexanoic acid (1) and five different N,N-dialkylamino alcohols (2) was determined in comparison to 1-hexanol (k = 0.67 · 10−5 s−1). The values range from 0.60 · 10−5 s−1 to 9.3 · 10−5 s−1. The data suggest a differing reactivity for structurally related compounds, which is directly correlated to the ability of the corresponding amino alcohol to activate the carboxylic acid by hydrogen bonding. A seven-membered transition state C≠ is postulated for reactions of 2-amino alcohols. The fastest reaction was observed for trans-2-(N,N-dimethylamino) cyclohexanol (2e), in which the amino and the hydroxyl groups are in an almost perfect synperiplanar 1,2-position. Attempts to further enhance the rate of the esterification by the addition of potential catalysts failed. Only Cu(OTf)2 (2.5 mol-%) allowed for a moderate rate increase from 7.5 · 10−5 s−1 (uncatalyzed) to 14.8 · 10−5 s−1 (catalyzed) in the esterification of hexanoic acid (1) with 2-(N,N-dimethylamino)ethanol (2a).
Tin(II) Polyoxometalate as an Efficient Catalyst for the Selective Oxidation of Sulfides to Sulfoxides
Authors: Rafiee Ezzat , Baltork Iraj M. , Tangestaninejad Shahram , Azad Alireza , Moinee Sepideh
Published: February 2015

The applicability of the tin(II) polyoxometalate catalyst, [(n-C4H9)4N]5PSnMo2W9O39 · 9H2O, for sulfoxidation of diaryl, dibenzyl, aryl benzyl, dialkyl, cyclic, and heterocyclic sulfides with 30% hydrogen peroxide was examined under organic halogen-free condition. It is noteworthy that different functional groups including carbon-carbon double bonds, ketones, oximes, aldehydes, ethers, alcohols, and acetals were tolerated under this reaction condition.
Preparation of Dialkylamino-Substituted Benzenes and Naphthalenes by Nucleophilic Replacement of Fluorine in the Corresponding Perfluoroaromatic Compounds
Authors: Sorokin Vladimir I. , Ozeryanskii Valery A. , Borodkin Gennady S. , Chernyshev Anatoly V. , Muir Max , Baker Jon
Published: February 2015

The reactions between hexafluorobenzene (HFB) and octafluoronaphthalene (OFN) with secondary aliphatic amines (pyrrolidine, dimethylamine and piperidine) and lithium amides (pyrrolidide, dimethylamide and piperidide) have been investigated both experimentally and (in part) theoretically. With amines HFB, depending on the selected conditions, gives either di-substituted products or a complex mixture of di-, tri- and tetrasubstituted compounds. Under similar conditions OFN produces almost exclusively the 2,3,6,7-tetrasubstituted compound. Interaction of HFB with the more nucleophilic lithium amides results in the replacement of four fluorines giving 1,2,4,5-tetrasubstituted difluorobenzenes, while OFN under similar conditions with lithium pyrrolidide produces an inseparable mixture of 1,2,4,5,6,8-hexa- and 1,2,3,4,5,6,8-hepta-substituted derivatives. With lithium dimethylamide, it is possible to substitute six (in dioxane) or seven (in THF) fluorines in OFN. Lithium piperidide in all employed solvents reacts with OFN to give only the 1,2,4,5,6,8-hexasubstituted derivative. Theoretical calculations indicate that with lithium dimethylamide the third fluorine is substituted at position 1, whereas with dimethylamine it is position 3. The basicities of selected hexaand heptakis(dialkylamino)naphthalenes have been measured; they are all stronger bases than 1,8- bis(dimethylamino)naphthalene, although by less than expected.
Structural Study of the Disordered RECd6 Quasicrystal Approximants (RE = Tb, Ho, Er, Tm and Lu)
Authors: Piao Shu Ying , Gömez Cesar P. , Lidin Sven
Published: February 2015

The crystal structures of approximants RECd6 (RE = Tb, Ho, Er, Tm and Lu) have been refined from single crystal X-ray diffraction data. This work is a continuation of a previous study of MCd6 approximants [1] in which the different types of disorder of the central Cd4 tetrahedra located in the dodecahedral cavities were examined. The structures of the title compounds are all similar to GdCd6 and disorder was observed in all these compounds. There is a correlation between the anisotropic displacement parameter and the unit cell dimension
The Symmetry of Ordered Cubic γ-Fe2O3 Investigated by TEM
Authors: Kelm Klemens , Mader Werner
Published: February 2015

Well-crystallized particles of cubic and tetragonal γ -Fe2O3 embedded in a Pd matrix were produced besides other oxides by internal oxidation of a Pd-Fe alloy in air. Particles of tetragonal γ -Fe2O3 consist of orientation domains with the c axes normal to each other. Particles of the ordered cubic γ -Fe2O3 appear single crystalline in bright field and in dark field images with reflections of the basic spinel structure. In dark field images enantiomorphous domains were observed using reflections of the ordered phase. From the analysis of electron diffraction patterns in the principal zone axes the description of ordered cubic γ -Fe2O3 in the enantiomorphous space groups P4132/P4332 follows without further presumptions. In the sequence from space group Fd3m of disordered cubic γ -Fe2O3 via P4132/P4332 of the ordered cubic phase to the pair P41212/P43212 of tetragonal γ -Fe2O3 a continuous group-subgroup relation can be derived. This relation shows that ordered cubic γ -Fe2O3 is an intermediate phase upon ordering of vacant octahedral sites towards tetragonal γ -Fe2O3
Two Polymorphic Modifications of Dibromo-bis(acetonitrile-N)-zinc(II)
Authors: Bhosekar Gaurav , Jeß Inke , Näther Christian
Published: February 2015

Two polymorphic modifications of dibromo-bis(acetonitrile-N)-zinc(II) have been characterized by single crystal structure analysis and X-ray powder measurements. Form I cyrstallizes in the orthorhombic space group Pnma with a = 13.101(2), b = 10.210(1), c = 6.8078(7) Å and Z = 4. The structure is composed of discrete molecular complexes in which each zinc cation is coordinated by two bromide anions and two acetonitrile ligands within distorted tetrahedra. Form II crystallizes in the orthorhombic space group Cmcm with a=8.0734(8), b=11.012(1), c=10.204(1) Å and Z =4. In this compound also discrete complexes are found and the coordination of the zinc atoms is identical to that of form I. Two bromide atoms and two acetonitrile ligands coordinate to the zinc cations within distorted tetrahedra. The packing of the discrete molecular complexes in form II is completely different form that in form I. Form I was originally prepared in the presence of 2-chloropyrazine but can also be synthesized phase pure by crystallization from acetonitrile alone. In contrast, form II was only obtained in the presence of 2-chloropyrazine if the crystallization is performed under kinetic control but it immediately transforms into form I. Crystallization experiments reveal that form I is the thermodynamically most stable form between −40 ÅC and the boiling point of acetonitrile of 80 °C, whereas form II is metastable. On storing, the thermodynamically stable form I at room temperature decomposes into zinc(II) bromide within a few hours, but in a saturated acetonitrile atmosphere it is stable over a long period. On heating form I all ligands are liberated in one step leading to zinc bromide
Boron-Carbon Order and Symmetry Control: Single-Crystal X-Ray Study of SmB2C2
Authors: Babizhetskyy Volodymyr , Hoch Constantin , Mattausch Hansjürgen , Simon Arndt
Published: February 2015

The title compound was prepared from the elements by arc-melting followed by annealing in silica tubes at 1270 K for one week. The crystal structure was investigated by means of X-ray single crystal diffraction: space group P4/mbm, a = 5.366(1), c = 3.690(1) Å , Z = 2, R1 = 0.010, wR2 = 0.022 for 245 unique reflections with Io > 2σ (Io) and 12 refined parameters. Group-subgroup relationships of MB6 and MB2C2 structure models are discussed
Interaction of Samarium with Nickel and Arsenic: Phase Diagram and Structural Chemistry
Authors: Babizhetskyy Volodymyr , Guérin Roland , Simon Arndt
Published: February 2015

Solid-state phase equilibria in the Sm-Ni-As system have been established using X-ray diffraction, scanning electron microscopy and electron probe microanalysis. The samarium-poor region up to 33 at. % Sm was studied at 1170 K, whereas the Sm-rich corner, due to the generally lower melting points, was investigated at 770 K. Six ternary compounds were isolated, among which two have been structurally characterized. The hexagonal structure of SmNiAs (SrPtSb-type) was solved from X-ray single crystal data: space group 6̅m2, a = 4.0904(3), c = 3.8957(4) Å , Z = 1, R1 = 0.0221, wR2 = 0.0224 for 134 unique reflections with Io > 2σ (Io) and 9 variable parameters. The crystal structure of Sm6Ni15As10 (Tb6Ni15As10-type) was determined from X-ray powder diffraction data: full profile refinement, space group P63/m, a = 17.0632(4), c = 3.9526(1) Å , Z = 2, RB = 0.079, Rp = 0.138
Synthesis and Structural Characterization of a Monofunctionalized Phloroglucin-Derivative: A Precursor for Heterotrinuclear meta-Phenylene Bridged Complexes
Authors: Glaser Thorsten , Heidemeier Maik , Krickemeyer Erich , Bögge Hartmut
Published: February 2015

As part of our synthetic efforts for new triplesalen derivatives, we reacted 2,4,6-triacetyl- 1,3,5-trihydroxybenzene (1) with excess Cu(ClO4)2 · 6H2O, imidazole, and ethylenediamine. However, not the triple ketimine derivative was formed but the mononuclear CuII complex [LCuII(ImH)]ClO4 · 0.5EtOH · 0.5H2O (HL = 6-(1-(2-aminoethylimino)ethyl)-2,4-diacetyl-1,3,5-trihydroxybenzene) with only one ketimine function. This complex forms a one-dimensional coordination polymer in the solid state through the apical binding of a keto-oxygen atom of one cation to the CuII ion of a neighboring cation. Magnetic measurements reveal the presence of weak antiferromagnetic intra-chain interactions
Die Lanthanid(III)-ortho-Thiophosphate(V) vomTypM[PS4] (M= La–Nd, Sm, Gd–Er): Synthese, Kristallstruktur und 31P-NMR-Untersuchungen / The M[PS4]-Type Lanthanide(III) ortho-Thiophosphates(V) (M = La–Nd, Sm, Gd–Er): Synthesis, Crystal Structure, and 31P NMR Investigations
Authors: Komm Theresa , Gudat Dietrich , Schleid Thomas
Published: February 2015

Single crystals of the lanthanide(III) thiophosphates(V) with the composition M[PS4] (M = La-Nd, Sm, Gd-Er) are formed within seven days at 950 °C by oxidation of the lanthanide metals and red phosphorus with sulfur (molar ratio: 1 : 1 : 4) in evacuated silica tubes without using any flux to avoid the entrapment of e. g. alkali metal cations. Their crystal structure (tetragonal, I41/acd, Z = 16; e. g. La[PS4]: a = 1098,97(5); c = 1953,26(9) pm and Er[PS4]: a = 1062,41(5); c = 1892,38(9) pm for the borderline representatives discussed here) is built up by a distorted cubic closest packing of discrete [PS4]3− tetrahedra (d(P5+-S2−) = 203 - 204 pm; ∢(S-P-S) = 107 - 116°) where the M3+ cations are situated in one half of the tetrahedral interstices, the same way as S2− in the Pt2+ arrangement of the cooperite-type PtS structure. Therefore an eightfold sulfur coordination for both crystallographically independent M3+ cations results in the shape of a trigonal dodecahedron. The 31P-MAS-NMR spectra of La[PS4], Nd[PS4], Gd[PS4], and Er[PS4] are reported and discussed
[Cu(CN)en2]I – Copper Amine Propellers
Authors: Bräu Michael F. , Pfitzner Arno
Published: February 2015

Light blue [Cu(CN)en2]I was prepared by reaction of copper iodide with ethylenediamine (en) and potassium cyanide in acetonitrile in air. It crystallizes in the space group C2 (No. 5) with a = 11.082(6), b = 7.155(2), c = 9.017(3) Å , β = 127.00(3)°, and Z = 2. The structure was refined from 1069 unique reflections and 90 parameters. The refinement converged to R1=0.018 and wR2=0.041 (all reflections). Copper has a trigonal bi-pyramidal environment formed by two en molecules and one CN− anion. The iodine anion shows no direct contact to the Cu2+ center. The propeller shaped complexes [Cu(CN)en2]+ are all oriented parallel in the crystal structure. [Cu(CN)en2]+ cations and I− anions form a zincblende related arrangement.
3D-[Pr(Im)3(ImH)]@ImH: Ein dreidimensionales Netzwerk mit vollständiger Stickstoffkoordination aus einer Imidazolschmelze / 3D-[Pr(Im)3(ImH)]@ImH: A Three-Dimensional Network with Complete Nitrogen Coordination Obtained from an Imidazole Melt
Authors: Müller-Buschbaum Klaus
Published: February 2015

The reaction of a melt of unsubstituted imidazole with praseodymium metal yields bright green crystals of 3D-[Pr(Im)3(ImH)]@ImH. Imidazolate ligands coordinate η1 via both N atoms their 1,3 positioning within the heterocycle being responsible for the connection of praseodymium atoms. A 3-dimensional network is formed with imidazole molecules from the melt intercalated in the crystal structure. The imidazole molecules can be released and temperature dependent reversibly be exchanged with gas molecules including argon. Thus the solvent free high temperature synthesis of rare earth elements with amine melts can also be utilized for “crystal engineering” and the synthesis of compounds with material science aspects. Furthermore 3D-[Pr(Im)3(ImH)]@ImH is the first unsubstituted imidazolate of the lanthanides.
High Pressure and Chemical Bonding in Materials Chemistry
Authors: Demazeau Gérard
Published: February 2015

Materials chemistry under high pressures is an important research area opening new routes for stabilizing novel materials or original structures with different compositions (oxides, oxoborates, nitrides, nitridophosphates, sulfides,. . .).

Due to the varieties of chemical compositions and structures involved, high pressure technology is also an important tool for improving the investigations on chemical bonding and consequently the induced physico-chemical properties.

Two different approaches can be described: (i) the chemical bond is pre-existing and in such a case, high pressures lead to structural transformations, (ii) the chemical bond does not exist and high pressures are able to help the synthesis of novel materials. In both cases the condensation effect (ΔV < 0 between precursors and the final product) is the general rule. In addition, through the improvement of the reactivity, high pressures can lead to materials that are not reachable through other chemical routes.
Synthesis and Structure of Some MII/MIII Mixed Fluorides with Pyrochlore and Weberite Related Structures
Authors: Subramanian M. A. , Marshall W. J. , Hoffmann R.-D. , Sleight A.W.
Published: February 2015

New NH4MIIMIIIF6 and MIIMIIIF5 ・ 2H2O compounds with the pyrochlore and weberite structures, respectively, are reported. Structures of NH4CoCrF6, AlZnF5 ・ 2H2O, and GaMnF5 ・ 2H2O were refined using X-ray diffraction data from single crystals. The structures of MgIIAlIIIF5 ・H2O and NH4MgIIAlIIIF6 were refined from powder X-ray diffraction data. Magnetic susceptibility data indicates antiferromagnetic ordering in NH4CoIIVIIIF6 at 7 K but no ordering in NH4CoIICrIIIF6 down to 4.2 K. Electrical conductivity presumably due to protons was observed in MgAlF5 ・ (H2O)2.