bluuebunny/crossref_metadata_2025 huggingface dataset:
ProLIF – quantitative integrin protein–protein interactions and synergistic membrane effects on proteoliposomes
Authors: De Franceschi Nicola , Miihkinen Mitro , Hamidi Hellyeh , Alanko Jonna , Mai Anja , Picas Laura , Guzmán Camilo , Lévy Daniel , Mattjus Peter , Goult Benjamin T. , Goud Bruno , Ivaska Johanna
Published: August 2018

Integrin transmembrane receptors control a wide range of biological interactions by triggering the assembly of large multiprotein complexes at their cytoplasmic interface. Diverse methods have been used to investigate interactions between integrins and intracellular proteins, and predominantly include peptide-based pulldowns and biochemical immuno-isolations from detergent-solubilised cell lysates. However, quantitative methods to probe integrin–protein interactions in a more biologically relevant context where the integrin is embedded within a lipid bilayer have been lacking. Here, we describe ‘protein–liposome interactions by flow cytometry’ (denoted ProLIF), a technique to reconstitute recombinant integrin transmembrane domains (TMDs) and cytoplasmic tail (CT) fragments in liposomes as individual subunits or as αβ heterodimers and, via flow cytometry, allow rapid and quantitative measurement of protein interactions with these membrane-embedded integrins. Importantly, the assay can analyse binding of fluorescent proteins directly from cell lysates without further purification steps. Moreover, the effect of membrane composition, such as PI(4,5)P2 incorporation, on protein recruitment to the integrin CTs can be analysed. ProLIF requires no specific instrumentation and can be applied to measure a broad range of membrane-dependent protein–protein interactions with the potential for high-throughput/multiplex analyses.

This article has associated First Person interviews with the first authors of the paper (see doi: 10.1242/jcs.223644 and doi: 10.1242/jcs.223719).
New Mediterranean Biodiversity Records (July 2018)
Authors: CHARTOSIA NIKI , ANASTASIADIS DIMITRIS , BAZAIRI HOCEIN , CROCETTA FABIO , DEIDUN ALAN , DESPALATOVIĆ MARIJA , DI MARTINO VINCENZO , DIMITRIOU NIKOS , DRAGIČEVIĆ BRANKO , DULČIĆ JAKOV , DURUCAN FURKAN , HASBEK DENIZ , KETSILIS-RINIS VLASIOS , KLEITOU PERIKLIS , LIPEJ LOVRENC , MACALI ARMANDO , MARCHINI AGNESE , OUSSELAM MARIAM , PIRAINO STEFANO , STANCANELLI BESSY , THEODOSIOU MARILENA , TIRALONGO FRANCESCO , TODOROVA VALENTINA , TRKOV DOMEN , YAPICI SERCAN
Published: August 2018

In the present article, new records are given for 15 species (4 native and 9 alien and 2 cryptogenic), belonging to 6 Phyla (i.e. Chlorophyta, Ctenophora, Cnidaria, Mollusca, Arthropoda, and Chordata), from 10 Mediterranean countries: Morocco: the finding of the crab Callinectes sapidus represents the westernmost one of the species in the Mediterranean; Italy: first records of the nudibranch Polycera hedgpethi from the harbour of La Spezia, and first finding of the invasive ctenophore Mnemiopsis leidyi in the Fiora River; Tunisia: Caulerpa taxifolia var. distichophylla is recorded for the first time, showing an even wider distribution in the Mediterranean; Greece: the finding of the jellyfish Pelagia benovici represents the first record of the species in the Ionian Sea, while the finding of the smallscale codlet Bregmaceros nectabanus in the Ionian Sea is another interesting first report for the area; Malta: the cryptogenic scleractinian coral Oculina patagonica was recorded; Slovenia: the parasitic copepod Demoleus heptapus was recorded from a sixgill bluntnose shark, Hexanchus griseus; Croatia: the Lessepsian cephalaspidean mollusc Haminoea cyanomarginata is recorded for the first time from the area; Bulgaria: the Asian date mussel Arcuatula senhousia was recorded from the Black Sea; Cyprus: the Lessepsian gastropod Viriola sp. [cf. corrugata) was recorded for the first time from the area, while two decapod species were recorded also for the first time from Cyprus, i.e. the caridean shrimp Pasiphaea sivado and the anomuran Munida curvimana; Turkey: the acari Lohmannella falcata is recorded for the first time from Antalya and the Lessepsian fish Priacanthus sagittarius in the Levantine coasts of Turkey (off Hatay/Arsuz) showing that this species has extended its range in a very short time.
Smaller clinical trials for decision making; using p-values could be costly
Authors: Graves Nicholas , Barnett Adrian G. , Burn Edward , Cook David
Published: August 2018

Background: Clinical trials might be larger than needed because arbitrary high levels of statistical confidence are sought in the results. Traditional sample size calculations ignore the marginal value of the information collected for decision making. The statistical hypothesis testing objective is misaligned with the goal of generating information necessary for decision-making. The aim of the present study was to show that a clinical trial designed to test a prior hypothesis against an arbitrary threshold of confidence may recruit too many participants, wasting scarce research dollars and exposing participants to research unnecessarily.

Methods: We used data from a recent RCT powered for traditional rules of statistical significance. The data were also used for an economic analysis to show the intervention led to cost savings and improved health outcomes. Adoption represented a good investment for decision-makers. We examined the effect of reducing the trial’s sample size on the results of the statistical hypothesis-testing analysis and the conclusions that would be drawn by decision-makers reading the economic analysis.

Results: As the sample size reduced it became more likely that the null hypothesis of no difference in the primary outcome between groups would fail to be rejected. For decision-makers reading the economic analysis, reducing the sample size had little effect on the conclusion about whether to adopt the intervention. There was always high probability the intervention reduced costs and improved health.

Conclusions: Decision makers managing health services are largely invariant to the sample size of the primary trial and the arbitrary p-value of 0.05. If the goal is to make a good decision about whether the intervention should be adopted widely, then that could have been achieved with a much smaller trial. It is plausible that hundreds of millions of research dollars are wasted each year recruiting more participants than required for RCTs.
Parents’ personality and maternal experiences in childcare as predictors of postpartum depression in couples in transition to parenthood
Authors: Kaźmierczak Maria , Michałek-Kwiecień Justyna , Kiełbratowska Bogumiła , Karasiewicz Karol
Published: August 2018

Cel pracy

Analiza wzajemnych zależności pomiędzy pięcioma globalnymi wymiarami osobowości obojga rodziców i doświadczeniami matek w zakresie karmienia dziecka / opieki nad nim oraz ustalenie ich roli jako predyktorów tendencji do doświadczenia symptomów depresji poporodowej.

Metoda

Zbadano 223 pary oczekujące narodzin pierwszego dziecka (I etap), z czego 143 pary w około pięć miesięcy po porodzie (II etap). Zastosowano Inwentarz Osobowości NEO-FFI, Edynburską Skalę Depresji Poporodowej (EPDS) oraz Skalę Matka i Dziecko (MBAS).

Wyniki

Wyniki w EPDS były powiązane w parach. Mierzona przed narodzinami dziecka neurotyczność obojga rodziców wiązała się z wyższymi wskaźnikami depresji poporodowej w ocenie własnej i partnera/ki. Neurotyczność kobiet negatywnie wiązała się z ogólną pewnością siebie matek w opiece nad niemowlęciem i postrzeganą przez matki pozytywną czujnością dziecka w czasie karmienia (związaną też z wyższą ekstrawersją kobiet). Ogólna pewność siebie matek w opiece nad niemowlęciem negatywnie wiązała się z depresją poporodową u obojga partnerów. Postrzegana czujność dziecka oraz ogólna pewność siebie matki były istotnymi mediatorami związku neurotyczności matek (i ich ekstrawersji w przypadku czujności) ze wskaźnikiem w EPDS u kobiet. Podobieństwo partnerów pod względem neurotyczności wiązało się gorszą oceną funkcjonowania matek (wyższe wskaźniki w EPDS, brak pewności siebie), zaś podobieństwo w zakresie otwartości na doświadczenie ujemnie korelowało z EPDS u ojców, a dodatnio z ogólną pewnością siebie matki.

Wnioski

Złożone powiązania pomiędzy wskaźnikami depresji poporodowej a wymiarami osobowości kobiet i mężczyzn oraz doświadczeniami matki wskazują na konieczność uwzględniania ojców i par w badaniach. Oferowanie spotkań z konsultantami laktacyjnymi może być istotnym elementem systemu wsparcia młodych rodziców.
Research Roundup
Authors: Cowan Helen
Published: August 2018

Helen Cowan presents a selection of recently published articles of interest to nurses working in cardiovascular nursing. The aim of this roundup is to provide a brief overview of the research papers selected. A full reference is provided for those who wish to take a look at the research in further detail.
Nerve root injection cancellations because of incomplete anticoagulation management
Authors: Robinson Elizabeth , Shahipasand Shahab , Liantis Panagiotis , Mandegaran Ramin , Zavareh Ali
Published: August 2018

Background:

Computed tomography-guided steroid injection is a well-recognized, conservative treatment of localized spinal pain as a result of facet arthropathy and radiculopathy secondary to nerve root compression. An extremely rare complication is the development of an epidural haematoma with potential to cause permanent neurological damage, so anticoagulation at the time of procedure is contraindicated. Routinely injections are performed as an outpatient requiring the referring physician to implement a peri-procedural anticoagulation plan. Anecdotal experience suggested that cancellations were occurring as patients remained on anticoagulation at the time of their appointment. The authors therefore assessed the existing service against expected standards to identify the causes of cancellations and find ways to improve the service.

Aims:

This audit aimed to identify the incidence of cancelled computed tomography-guided nerve root injections secondary to incorrect peri-procedural anticoagulation management, develop an intervention to help reduce the incidence of cancellations and then re-audit to assess the effect of the intervention.

Methods:

The audit standard was that 100% of outpatients attending for computed tomography-guided nerve root and facet injections should have an appropriate anticoagulation plan implemented. Baseline data collection took place prospectively between 1 September and 30 November 2016. The study population was elective computed tomography-guided spinal nerve root and facet injections scheduled on the radiology information system at the authors' trust. Descriptive analysis was completed. The intervention involved a revised electronic request form being implemented with new compulsory fields concerning antiplatelets and anticoagulants. Re-audit post-intervention involved prospective data collection between 1 September and 30 November 2017 using the same methods.

Results:

Baseline audit found that of three out of 55 (5%) patients had cancellations. On re-audit, there were 0 cancellations out of 93 patients.

Conclusions:

The new request form prevented 5% of patients referred for computed tomography-guided nerve root injection being cancelled because of incorrect anticoagulation management. Extrapolated over the year the potential savings through preventing lost activity are £3445.56.
Contribuições do Apoio Matricial em Saúde Mental na Atenção Primária: Revisão Integrativa da Literatura
Authors: Barros de Oliveira Aline , Silva da Costa Leonardo , Barros Leite-Salgueiro Claudia Daniele , Farias Bezerra Barbosa Valquíria , De Moura Pedroza Robervam , Silva Alexandre Ana Carla , Lobato Luzineide , Caraciolo Batista Júnior João Bosco , Aguiar da Silva Ellyda Layanny
Published: August 2018

Objetivo: Identificar na literatura as contribuições do apoio matricial em saúde mental na atenção primária à saúde. Metodologia: Trata-se de uma revisão integrativa da literatura, realizada no mês de abril de 2017, na Biblioteca Virtual em Saúde através das bases de dados SCIELO, LILACS, MEDLINE e BDENF. Resultados: Foram selecionados 10 estudos para compor a amostra. Entre as principais contribuições do apoio matricial em saúde mental na atenção primária encontramos: o fortalecimento da dinâmica de trabalho multidisciplinar e multiprofissional; a melhora na organização do acesso do usuário ao serviço; a ampliação da tomada de decisão das equipes e corresponsabilização do cuidado e o fortalecimento do ideal de grupo terapêutico. Conclusão: Há necessidade de fortalecimento do apoio matricial para que haja uma maior adesão desta pratica por parte dos profissionais, uma vez que muitos consideram esta ferramenta como uma atribuição a mais e não, como um facilitador no processo de trabalho.
Un análisis del impacto del nuevo modelo de clasificación de revistas científicas según Colciencias
Authors: Caballero-Uribe Carlo Vinicio , Viloria-Doria Juan Carlos
Published: August 2018

Los autores realizan un análisis sobre la situación actual de las revistas científicas colombianas, el impacto del nuevo modelo de clasificación de revistas científicas de Publindex-Colciencias, su relación con los principios del Manifiesto de Leiden. Hacen mención del uso de las nuevas tecnologías y redes sociales en la comunicación científica.
Foreign language learning anxiety: A comparison between high school and university students
Authors: Baş Gökhan , Özcan Mehmet
Published: August 2018

This research aimed to identify the differences in foreign language learning (FLL) anxiety levels between high school and university students based on some variables such as gender, current educational status, parents’ (father and mother) educational status, and monthly income of families.  The survey model was adopted in the research.  The research included high school (n = 333) and university (n = 341) students from Nigde and Afyonkarahisar provinces. In the research, “Foreign Language Learning Anxiety Scale” (FLLAS) was used in order to collect data. For the analyses of the data, independent samples t-test and one-way ANOVA were performed. The results of the research indicated that gender, fathers’ educational status and monthly income of family variables did not have a significant impact on foreign language anxiety levels of high school and university students. It was also found that students’ educational status as well as their mothers’ educational status variables influenced their FLL anxiety significantly.
Extending the Talmyan typology: A case study of the macro-event as event integration and grammaticalization in Mandarin
Authors: Li Fuyin Thomas
Published: August 2018

The two-way typology proposed by Leonard Talmy has been extremely influential in the past few decades, and has led to a large number of publications. But while the majority of the literature is devoted to the identification of the verb-framed or satellite-framed status of individual languages, relatively little (if any) research focuses on the foundation of this theory. This article addresses the nature of the macro-event, a fundamental concept for the Talmyan two-way typology, proposing a diachronic aspect of the macro-event, an aspect that seems to be under-appreciated or even neglected. It argues that a macro-event results from the integration of two simpler events through grammaticalization in Mandarin. This hypothesis is supported by the behavior of directional complements in Mandarin Chinese in that these directional complements in combination with the main verbs can express all the five types of the macro-events that Talmy has analyzed to establish his typology, and that these macro-events themselves represent an integration of two simpler events and exhibit various degrees of grammaticalization. This study brings together two seemingly unrelated areas of research, that is, the area of event structure and that of grammaticalization, thus providing a new perspective on the Talmyan typological paradigm. The result, though supported by the data in Mandarin Chinese, might have universal value and implications for other languages as well.
Atmospheric water infiltration intensity in non-rainfall periods under conditionsof varied soil moisture
Authors: Dawid Małgorzata , Janik Grzegorz
Published: August 2018

The paper presents a function-type relation which demonstrates that volumetric moisture of the surface horizon of soil has an effect on the intensity of atmospheric water infiltration during non-rainfall periods. The relation, developed and then verified on the basis of independent material, reveals that the intensity of infiltration decreases with an increase in volumetric moisture of soil. For the case presented herein, infiltration ceases when volumetric moisture is higher than 0.15 m3 m−3. The developed function also takes into account the effect of atmospheric conditions through the introduction of another argument into the domain. The aforementioned is in the form of potential condensation efficiency measured on a dew collector, and assumes the form of a modified logistic function.
Competition For Versus In the Market of Long-Distance Passenger Rail Services
Authors: Cherbonnier Frédéric , Ivaldi Marc , Muller-Vibes Catherine , Van Der Straeten Karine
Published: August 2018

This paper is aimed at evaluating the net gains and trade-offs at stake in implementing the competition of the rail mode in the long distance passenger market either by means of franchise or by an open access mechanism. We simulate the outcomes of competitioninandforthe market using a differentiated-products oligopoly model allowing for inter- and intra-modal competition in a long distance passenger market. Specifically we first calibrate the model using data describing high speed lines in France and show that the incumbent railway operator’s strategy does not simply boil down to a short-term profit maximization (e.g. because of existing regulation or limit-pricing strategy). This yields two important results when simulating competition. First, whether it isfororinthe market, the opening to competition does not guarantee a decrease in prices in favor of passengers. Second, the effects of opening up to competitionforthe market are relatively predictable and potentially positive, while those of opening up to competition in the market remain very uncertain.
Spatially Informed Back-Calculation for Spatio-Temporal Infectious Disease Models
Authors: Pokharel Gyanendra , Deardon Rob
Published: August 2018

In epidemiological studies, the complete history of the disease system is seldom available; for example, we rarely observe the infection times of individuals but rather dates of diagnosis/disease reporting. The method of back-calculation together with prior knowledge about the distribution of the time from the infection to the disease reporting, called the incubation period, can be used to estimate unobserved infection times. Here, we consider the use of back-calculation in the context of spatial infectious disease models, extending the method to incorporate spatial information in the back-calculation method itself. Such a method should improve the quality of the fitted model, allowing us to better identify characteristics of the disease system of interest. We show that it is possible to better infer the underlying disease dynamics via the method of spatial back-calculation.
Physikalisch-chemische und biologische Eigenschaften des gereinigten „löslichen Antigens“ der klassischen Geflügelpest
Authors: Schäfer Werner , Munk Klaus , Mussgay Manfred
Published: August 2018

Das „lösliche Antigen“ der klassischen Geflügelpest ist ein kugelförmiges Teilchen mit einem Durchmesser von 10-15 mμ, das kettenförmige Aggregate bildet und nach seinem spektrophotometrischen Verhalten Nucleoproteid-Charakter hat. Es ist physikalisch-chemisch nicht von dem „gebundenen Antigen“ des Virus-Elementarteilchens zu unterscheiden.

Auch serologisch bestehen enge Beziehungen zwischen den beiden Partikeln. Das „lösliche Antigen“ reagiert nur mit den virus-spezifischen Seren, mit denen auch das „gebundene Antigen“ eine Reaktion eingeht. Von Kaninchen-Serum gegen intakte Elementarteilchen werden beide nicht präzipitiert.

Eine Immunität gegen eine Infektion mit KP-Virus vermag das gereinigte „lösliche Antigen“ beim Huhn nicht zu erzeugen.
Elektronenoptische und chemische Untersuchungen an Zellwänden der Blaualge Phormidium uncinatum
Authors: Frank H. , Lefort Marcelle , Martin H. H.
Published: August 2018

Quantitative chemical analysis of isolated cell walls of Phormidium uncinatum demonstrated the presence of a mucopolymer component resembling in composition that found in the cell walls of gramnegative bacteria. Electronmicroscopical investigations showed that each cell of a filament of Phormidium is lined with a mucopolymer supporting membrane, which is responsible for the rigidity of the cell wall and which can be digested by lysozyme.

Growing filaments of Phormidium, exposed to penicillin, produce well recognizable localized defects in the mucopolymer layer of their cell walls and in the corresponding layers of septa still growing. These defects appear to indicate regions of growth.

Electronmicroscopical examination of thin sections of intact filaments extend and confirm the morphological observations on isolated cell walls.

The demonstration in blue-green algae of a mucopolymer cell wall component closely resembling that previously found in cell walls of bacteria provides further evidence for a taxonomic relationship between the two classes of organisms.
Zum Mechanismus der Amadori-Umlagerung
Authors: Palm D. , Simon Helmut
Published: August 2018

By the tracer technique it is shown that the mechanism of the Amadori - rearrangement which was proposed by MICHEEL and DIJONG is not valid for N-Glycosides with free hydroxyl groups.
Synthese von Ribonucleinsäuren in Ganzkeimen und im isolierten Ektoderm von Triturus alpestris
Authors: Tiedemann H. , Born J. , Kocher-Becker U.
Published: August 2018

The correlation between the synthesis of different RNA-fractions and embryonic differentiation was compared by studying the RNA-synthesis in whole Triturus embryos of different ages and isolated ectoderm not induced to develop into special tissues.

In the isolated ectoderm, having the same age as neurulae, transfer-RNA as well as ribosomal-RNA is synthesized. The transfer-RNA has about the same specific activity and the ribosomal-RNA a somewhat lower specific activity compared to neurulae. Pulse-labelled RNA with a heterogeneous sedimentation pattern is likewise synthesized in whole embryos and in isolated ectoderm. — The results are in accord with the hypothesis that embryonic differentiation is directed by informational-RNA, which is only a very small part of the whole RNA.
Untersuchungen an Phosphoryl- und Thiophosphoryl-Verbindungen II
Authors: Müller Achim , Horn Hans-Georg , Glemser Oskar
Published: August 2018

Die IR-Spektren von SPF2Cl und SPF2Br im Bereich 4000 < ν (cm-1) < 300 werden mitgeteilt und teilweise nach Gruppenfrequenzen und Symmetrierassen der Punktgruppe Cs zugeordnet. Der Frequenzgang der Valenzschwingungen in der Reihe SPF2X (X = F, Cl und Br) wird eingehend diskutiert und z. T. mit demjenigen in der entsprechenden Reihe OPF2X verglichen. Weiterhin wird eine neue Darstellungsmethode für SPF2Cl und SPF2Br beschrieben.
Mischfunktionelle Oxygenierungen IV
Authors: Ullrich V. , Hey D. , Zubrzycki Z. , Staudinger Hj.
Published: August 2018

The mechanism of aerobic hydroxylation in the presence of peroxidase and dihydroxyfumarate has been studied. Reduction of molecular oxygen proceeds by the dihydroxyfumarate semichinone and leads to the formation of the O2H radical which is reduced to an “oxen atom” as hydroxylating particle. In the peroxidase/dihydroxyfumarate/oxygen system OH radicals are also involved. Since they cannot originate from H2O2 a reduction of oxen atoms to OH radicals has to be assumed. Manganese (II) ions react with oxygen radicals and thereby inhibit hydroxylations by oxen atoms and OH radicals.

The reactions involved in the peroxidase/dihydroxyfumarate/oxygen system are summarized in a diagrammatic scheme.
Die primäre Proteinstruktur Temperatur-sensitiver Mutanten des Tabakmosaikvirus
Authors: Wittmann-Liebold B. , Jauregui-Adell J. , WlTtmann H. G.
Published: August 2018

The protein structure of temperature-sensitive mutants of tobacco mosaic virus isolated after treatment with nitrous acid has been determined. The results obtained for 15 mutants, presented in this and the preceding paper, are discussed with relation to the spatial structure of the virus rod.
Über die Darstellung von Alkyldithiofluorophosphaten
Authors: Roesky H. W.
Published: August 2018

Es wird über die Darstellung von Methyl- und Äthyldithiofluorophosphaten berichtet. IR-Spektren werden angegeben und die charakteristischen Banden zugeordnet. Ferner sind die Werte für die chemischen Verschiebungen und die P-F-Kopplungskonstanten vermerkt.
Internal Vibrations of the Tellurate Group in Compounds Me2(III)Te(VI)O6
Authors: Blasse G. , Kamphorst J. G.
Published: August 2018

The infrared and Raman spectra of LaAlTeOe, LaGaTeO6, In2TeO6 and Y2TeO6 are reported. Structure proposals are confirmed and the space group of Y2TeO6 determined. A relation between spectral position of vibrational modes and quenching temperature of luminescence is outlined.
Darstellung und Kristallstruktur der Hochdruckphase AgAlS2-II / Preparation and Crystal Structure of the High-pressure Phase AgAlS2-II
Authors: Range Klaus-Jürgen , Engert Gerd , Weiss Armin
Published: August 2018

AgAlS2-I with chalcopyrite structure transforms at 25 kbar and 300°C to the new highpressure phase AgAlS2-II. The crystal structure of AgAlS2-II is trigonal, space group P3ml, with a= 3,50 Å, c = 6,84 Å and Z = 1. The structure is based on a hexagonally close packed arrangement of sulfur atoms with aluminium atoms in octahedral sites and silver atoms in tetrahedral sites. The AgS4-tetrahedra are considerably distorted, giving a coordination number 3 + 1 for the silver atoms.
Metallkomplexe mit anionischen Liganden von Elementen der 4. Hauptgruppe, V. 119mSn-Mößbauer-Untersuchungen an Trichlorstannido-metallat(0)-Komplexen des Typs [M(CO)5SnCl3]-(M = Cr, Mo, W) / Metal Complexes with Anionic Ligands of Elements of the Main Group IV, V. 119mSn-Mössbauer-Spectroscopic Investigations at Trichlorostannido Metalate(O) Complexes of the Type [M(CO)5SnCl3]- (M = Cr, Mo, W)
Authors: Kruck Thomas , Ehlert Klaus , Odenthal Hermann J.
Published: August 2018

The 119mSn Mössbauer spectra of trichlorostannido pentacarbonyl metalates(O), [M(CO)5-SnCl3]- (M = Cr, Mo, W) 1-3, are reported and compared with the spectra of trichlorostannido complexes of manganese, iron, and platinum. With the isomer shift of β-tin. taken as dividing line between tin(II) and tin(IV) the compounds 1-3 can be regarded as tin(IV) derivatives with a noticeable π-backbonding ability of the SnCl3- ligand. There is an inverse relationship between the isomer shift and quadrupole splitting.
Struktur des Reaktionsproduktes aus α- [p-Chlor-anilino] -acetophenon-oxim und Eisen(III)-chlorid - Röntgenographische Kristallstrukturbestimmung- / Structure of the Reaction Product from α-[p-Chloro-anilino]-acetophenone-oxime with Ferric Chloride – X-ray Structure Analysis —
Authors: Deckardt Klaus , Kreher Richard
Published: August 2018

The molecular structure of the product formed by the reaction of α-[p-Chloro-anilino]-acetophenone-oxime with ferric chloride was determined by single-cristal X-ray diffraction. The compound could be identified as 1-[p-Chloro-phenyl]-2-Z-[α-hydroximinobenzyl]-4-phenyl-⊿3-imidazoline-3-oxide (2).
X-Ray Induced Luminescence in Aqueous Solutions of Aminobenzoic Acids
Authors: Prütz W. A.
Published: August 2018

Light emission induced by x-irradiation of deaerated aqueous solutions of anthranilic acid (AH) is predominantly due to chemiluminescence. Within the range of pH 3.5 to pH 12 only emission of the anion (A-) is observed, in contrast to the fluorescence which exhibits a characteristic spectral change under the protolytic equilibrium A- + H+ = AH (pK = 4.805). The chemiluminescence is proposed to involve reaction of eaq with the anthranilo radical Ø(NH2)+COO-, formed by OH attack upon A- or AH. Deprotonation of Ø(NH2)+COO- occurs at pH > 7. Absolute yields of the x-ray induced emissions and absolute fluorescence quantum yields have been determined for the aminobenzoic acid isomers and for some related compounds.
The Contribution of the Single Tryptophyl Residues to the Fluorescence Emission of Porcine Elastase
Authors: Jori Giulio , Galiazzo Guido
Published: August 2018

In order to evaluate the contribution of the single tryptophyl residues to the fluorescence emission of elastase, the latter was analyzed as a function of pH, as well as in the presence of some perturbants and quenchers. Moreover, specific tryptophyl residues were converted to formyl-kynurenine by photosensitized oxidation. Our results suggest that the two external tryptophans 26 and 164 account for at least 50% of the total emission; out of the two partially buried tryptophans, the residue 83 is practically non-fluorescent, whereas the residue 12 contributes about one fourth of the elastase fluorescence. The residual fluorescence (about 25% of the total emission) is to be ascribed to the three deeply buried tryptophans 39, 132 and 232.
Dielectric Measurements and Molecular Structure. Thermodynamic Parameters in Conformational Equilibria of α-Diazoketones
Authors: Sorriso Salvatore
Published: August 2018

The electric dipole moments of acetyldiazomethane (MeCOCHN2) and 1-acetyl-1-diazo-ethane (MeCOMeN2) between 10 and 70 °C have been measured. Using appropriate group and bond moments, the concentrations of the two rotamers present in each have been calculated and, hence, the equilibrium constant for the cis ⇆ trans equilibrium at the various temperatures.

The change in standard enthalpy (⊿H°), standard free energy (⊿G°) and standard entropy (⊿S°) are reported for the conversion of one mole of cis isomer to trans isomer.
In the Search for New Anticancer Drugs, I Antitumor Activity of Various Nitroxyl- and Aziridine-Containing Phosphorus Compounds
Authors: Konieczny Maria , Sosnovsky George , Gutierrez Peter
Published: August 2018

A series of pentavalent phosphorus compounds containing the nitroxyl and/or aziridinyl moieties was evaluated for antitumor activity against P 388 and L 1210 lymphocytic leukemias, and compared to the clinical agent thio-TEPA (1). The compounds with the structures 5-13 were found to be active, with a T/C value greater than 125. The percent ILS was also determined.
Die Kristallstruktur von SrHg(SeCN)4 · 4 Pyridin / The Crystal Structure of SrHg(SeCN)4 · 4 Pyridine
Authors: Brodersen Klaus , Cygan Manfred , Hummel Hans-Ulrich
Published: August 2018

Single crystals of SrHg(SeCN)4 · 4 pyridine are prepared by reaction of K2Hg(SeCN)4 with SrCl2 in CH3OH/C2H5OH in the presence of pyridine.

The crystal structure was solved with X-ray methods (Mr = 1024.1, space group P4̄n2, Z = 2, a = 9.552(2) Å, c = 17.610(7) Å, V = 1606.7 Å3, λ(AgKα) = 0.5583 Å, dc = 2.12 g cm-3, μ(AgKα) = 57.40 cm-1, F(000) = 943.7, T = 298 K. Final R = 0.043 for 1050 independent reflections).

The structure consists of nearly tetrahedral Hg(SeCN)4-units. The SeCN-group is linear within the experimental error. The N-atoms of SeCN and pyridine contribute to the Archimedean antiprismatic coordination of strontium
Ligandenaustauschreaktionen zwischen Halogenboranen und Alkylsilanen/Ligand Exchange Reactions between Haloboranes and Alkylsilanes
Authors: Einholz Wolfgang , Gollinger Walter , Haubold Wolfgang
Published: August 2018

In a ligand exchange reaction between BHal3 (Hal = Cl, Br) and the tetraalkylsilanes Et4Si, (Me3Si)2CH2 or Ph2CHSiMe3 the alkylhaloboranes EtBBr2 or MeBHal2 and the alkylhalosilanes Et3SiBr, HalMe2Si-CH2-SiMe3, (HalMe2Si)2CH2, and Ph2CHSiMe2Br, respectively, are formed. Similarly, the methyloligosilanes (Me3Si)2 (1) and (Me3Si)2SiMe2 (2) react with BHal3 (Hal = Cl, Br, I) via methyl-halogen-transfer to give HalMe2Si-SiMe3 (Hal = Cl, Br, I), (HalMe2Si)2 (Hal = Br, I), HalMe2Si - SiMe2-SiMe3, (Me3Si)2SiMeHal, HalMe2Si - SiMeHal -SiMe3, (HalMe2Si)SiMe2 (Hal = Cl, Br) or (BrMe2Si)2SiMeBr besides MeBHal2 (Hal = Cl, Br, I) and Me2BI, respectively.
Neue Phosphorchalkogenahalogenide / New Phosphorus Chalcogena Halides
Authors: Blachnik Roger , Hackmann Kerstin , Baldus Hans-Peter
Published: August 2018

α-P4Se3Br2 and α-P4Se3CL2 were prepared from α-P4Se3I2 by reaction with silver bromide resp. silver chloride in CS2-solution. Using bismuth or mercury halides it was also possible to obtain β-P4X3Br2 and β-P4X3Cl2 from β-P4X3I2 (X = S, Se). The 31P NMR data of these compounds are given.
Technetium Complexes with 1,1-Dicyanoethene-2,2-diselenolate,i-mns2-. The Crystal Structure of (Bu4N)2[TcN(i-mns)2]
Authors: Abram Ulrich , Abram Sonja , Stach Joachim , Dietzsch Wolfgang , Hiller Wolfgang
Published: August 2018

Bis(tetrabutylammonium)bis( 1,1 -dicyanoethene-2,2-diselenolato)nitridotechnetate( V), (Bu4N)2[TcN(i-mns)2] has been prepared by the reaction of (Bu4N)TcNCl4 with the potassium salt of the ligand and Bu4NBr. The compound forms yellow crystals which were characterized by elemental analysis, IR and UV/VIS spectrometry, mass spectroscopy as well as X-ray structure determination. The compound crystallizes triclinic in the space group P 1̄ with Z = 2. The final R value is 0.045. In the complex anion the five-coordinate technetium atom exhibits a square pyramidal environment with the selenium donors in the basal plane and the nitrido ligand in the apical position. The bond length Tc≡=N = 161(1) pm is within the normal range of TcN triple bonds.
{Co(H2O)2[C6(COO)6]}n
4n— — Ein neuartiges kettenförmiges Polyanion in Co3[C6(COO)6]·18H2O (Tricobalt(II)mellitat Octadecahydrat) / {Co(H2O)2[C6(COO)6]}n
4n— – A Novel Chain-Like Polyanion in Co3[C6(COO)6]·18 H2O (Tricobalt(II) Mellitate Octadeca Hydrate)
Authors: Robl Christian , Hentschel Stephanie
Published: August 2018

Red orthorhombic single crystals of Co3[C6(COO)6]·18 H2O were grown in aqueous silica gel (space group Pbca, a = 852.7(2), b = 2015.6(3), c = 1712.3(3) pm, 269 parameters, 2675 reflections, Rg = 0.0217). The Co2+ ions are coordinated octahedrally by water molecules and oxygen atoms of carboxylate groups. Co(1) is bound to five water molecules and one carboxylate oxygen atom, Co(2) is situated on a crystallographic center of symmetry and coordinated by four carboxylate oxygen atoms and two water molecules. Folded chains extending parallel to [100] made up by Co(2) and mellitate hexaanions with composition {Co(H2O)2[C6(COO)6]}n
4n— are the main feature of the crystal structure. The excess negative charge is compensated for by Co(1) cations bound to these chains via carboxylate groups related by a center of symmetry. Hydrogen bonds connect neighbouring chains primarily with carboxylate oxygen atoms which are not bound to Co2+ as the proton acceptors. Endothermic loss of water was observed to commence at 120 °C, followed (in air) by a further exothermic two step decomposition at 370 and 450 °C to yield Co3O4 as a crystalline residue. With (CH3)2SO a topotactical ligand exchange occurs without destruction of the single crystals causing the colour of the compound to change to deep-blue.
Normalkoordinatenanalyse an Oktaederkomplexen des Typs [MXnY6-n]z-, M = Ru, Rh, Os, Ir, Pt; Χ ≠ Y = F, Cl, Br; n = 0-6; z = 1 -3 / Normal Coordinate Analysis on Octahedral Complexes of the Type [ΜΧnΥ6-n]z-, M = Ru, Rh, Os, Ir, Pt; Χ ≠ Y = F, Cl, Br; n = 0-6; z = 1-3
Authors: Irmer K. , Preetz W.
Published: August 2018

Normal coordinate analyses for all compounds of the series [MXnY6-1]z-, M = Ru, Rh, Os, Ir, Pt; Χ ≠ Y = F, Cl, Br; n = 0-6; z = 1-3, including the geometric isomers for n = 2, 3, 4 have been performed, based on a general valence force field. For the isostructural species of the point symmetries Oh (n = 0, 6), D4h (2,4, trans), C4v (1, 5), C3v (3, fac), C2v (2,4, cis; 3, mer) sequences of decreasing frequencies are established. Due to the different trans influences X < Y (F < Cl < Br) in asymmetric axes X′–M–Y′, the M–Y′ bonds are strengthened and the M – X′ bonds are weakened, as indicated by valence force constants for M – Y′ up to 21 % higher (Pt–Cl′), for M–X′ down to 18% lower (Pt–F′), as compared with the values calculated for symmetrical X–M–X and Y–M–Y axes, respectively. The influence of the different central ions and their oxidation numbers on the force field is discussed.
Tautomere Wasserschichten. Bildung und Struktur tiefschmelzender Trihydrate von Triethylamin und 4-Methylpyridin [1] / Tautomeric Water Layers. Formation and Structure of Low-Melting Trihydrates of Triethylamine and 4-Methylpyridine [1]
Authors: Born Michael , Mootz Dietrich , Schaefgen Sigrid
Published: August 2018

Low-melting trihydrates of triethylamine (Et3N) and 4-methylpyridine (4-MePy) have been confirmed and detected by phase analysis and the crystal structures determined. Both are monoclinic with space group P21/c and Z = 4 formula units per unit cell. The lattice parameters are a = 13.606, b = 6.291, c = 12.412 Å, and β = 99.47° at -100 °C for Et3N · 3 H2O, and a = 9.982, b = 6.877, c = 12.958 Å, and β = 103.50° at -90 °C for 4-MePy · 3 H2O. The water molecules in the two structures are hydrogen-bonded in condensed four-, five-, and six-membered rings with 1:2:1 ratio, thus forming characteristic layers parallel (100) of identical topology and tautomeric to each other. The amine molecules are linked to both sides of the layers by O-Η ··· N bonds from different O atoms.
Tetrakis(tetrahydrofuran-O)calcium- und -strontium-bis[bis(trimethylsilyl)-arsanid] - Vergleich der spektroskopischen Parameter sowie der Molekülstrukturen / Tetrakis(tetrahydrofuran-O)calcium and strontium Bis[bis(trimethylsilyl)-arsanide] - A Comparison of the Spectroscopic Parameters and the Molecular Structures
Authors: Westerhausen Matthias , Schwarz Wolfgang
Published: August 2018

Calcium- and strontium bis[bis(trimethylsilyl)amide] react with bis(trimethylsilyl)arsane in tetrahydrofuran to give the corresponding tetrakis(tetrahydrofuran-O) metal bis[bis(trimethylsilyl)arsanides]. The calcium derivative crystallizes in the triclinic space group P1̄ with a = 1191.7(2), b = 1232.0(2), c = 1655.0(2) pm, α = 102.46(1)°, β = 107.92(1)°, γ = 104.66(1)° and Ζ = 2, the strontium derivative in the orthorhombic space group Pbca with a = 2153.4(3), b = 1852.2(3), c = 2182.4(3) pm and Z = 8. Both molecules exist as trans-isomers with a nearly linear As-M-As moiety; however, the strontium analogue contains two remarkably different configurations for the arsenic atoms. One As atom is surrounded nearly trigonally planar with a Sr-As bond length of 310 pm, whereas the other pnictogen atom has an angle sum of 338° with a Sr-As distance of 315 pm.
N5-Pyrazinylcarbonylornithine, an Effective Substituent for Position 5 of Antagonists of LHRH
Authors: Janecka Anna , Koerber Steven , Janecki Tomasz , Bowers Cyril , Folkers Karl
Published: August 2018

Computer modeling was used to find an effective substituent for position 5 in antagonists of the luteinizing hormone-releasing hormone (LHRH). In particular, it was desired to replace cis-3-(4-pyrazinylcarbonylaminocyclohexyl)alanine in position 5 because this substituent is laborious to synthesize. Calculations revealed that N5-pyrazinylcarbonylornithine (PzOrn) should be a suitable substitute for cPzACAla, with N6-pyrazinylcarbonyllysine (PzLys) being a second choice. Twelve analogs were synthesized in four series with DNal or DQal in position 1 and ILys or Arg in position 8. Biological assays validated the calculations and show that antagonists with PzOrn are more potent in antiovulatory assay than antagonists with PzLys. The antagonists with PzOrn were comparable in AOA with antagonists with cPzACAla. What is also important, antagonists with PzOrn released significantly less histamine than those with cPzACAla.
Synthese von Neozeylanon und Isozeylanon und neue Reaktionen von Chinonen mit Diazomethan / Synthesis of Neozeylanone and Isozeylanone and New Reactions of Quinones with Diazomethane
Authors: Laatsch Hartmut , Renneberg Bernd , Duvernay Elisabeth , Schmidt Andreas Johann
Published: August 2018

Diazomethane adds to plumbagin (la) yielding the indazolequinone 7 which, in the presence of sodium hydroxide, reacts to form nitrogen and the anion 4a. The latter reacts with excess juglone (lb) or juglone methyl ether (lc) forming isozeylanone (6a) and neozeylanone (6c) or their corresponding monomethyl ethers 6b and 6d, rsp. In a similar manner, the quinones 11a, 11c, and 15 originate by reaction of two molecules diazomethane with la via the indazoles 9 and 13, rsp.
Elektroneutrale Pb4O4 -Heterokubaneinheiten in den Aluminatsodalithen Ln4[Al12O24](Pb4O4)2 (Ln = Nd, Sm) / Electrically Neutral Pb4O4 Heterocubane Units in Aluminate Sodalites Ln4[Al12O24](Pb4O4)2 (Ln = Nd, Sm)
Authors: Werner J.-P. , Müller-Buschbaum Hk.
Published: August 2018

Single crystals of Ln4[Al12O24](Pb4O4)2 (Ln = Nd, Sm) have been prepared by flux techniques. The compounds crystallize with cubic symmetry, space group Oh-Pn3̄m, aNd = 9.514(1), aSm = 9.481(1) Å, Z = 1. The crystal structure is characterized by a [Al12O24]12- framework. Four of the eight six-membered rings of AlO4-tetrahedra per sodalite cage are centered by Ln3+ ions. The cages of the resulting electrically neutral network are filled with [Pb4O4]±0 heterocubane units. Oxygen of the heterocubane units completes the coordination spheres of the rare earth ions to hexagonal bipyramids.
Wechselwirkungen in Kristallen, 112 [1]. Tetra(2-pyridyl)pyrazin - ein vielseitiger Ligand für Lewis-Säuren: Halb- und doppelschalige Komplexe von Kupfer(II)- und Nickel(II)-Salzen / Interactions in Crystals, 112 [1]. Tetra(2-pyridyl)pyrazine - a Versatile Ligand for Lewis Acids: Semi- and Doubly-Encapsulated Complexes of Copper(II) and Nickel(II) Salts
Authors: Bock Hans , Schödel Holger , Vaupel Thorsten
Published: August 2018

Preceding cyclovoltammetric measurements of tetra(2-pyridyl)pyrazine (TPP) in aprotic THF solution and the lowering of the reduction potential on Li+[B(C6H5)4 ] addition, the crystallization of diprotonated [TPPH2
++][B(CAH5)4
-]2 and of [2,4,6-tris(2-pyridyl)-1,3,5- triazine(Li+)][B(C6H5)4
-] have stimulated the preparation and structural characterization of the following (TPP)1,2 copper(II) and (TPP)2 nickel(II) salts: (1) Green TTP-copper(II)- dichlorideacetonitrile with Cu2+ fivefold coordinated by three N contacts to one TPP ligand and by two Cl anions, (2) green di(TPP)-copper(II)-di(perchlorate)·2 acetonitrile with fully encapsulated Cu2+ coordinated to six N centers of two TPP ligands, and (3) the analogous nickel(II) complex, brown di(TPP)-nickel(II)-bis-(tetrafluoroborat)·3 water-methanol. Both complexes [(TPP)Me2+(TPP)](X-)2 with the Me2+ dications in the cavity provided by two twisted TPP ligands are reported for the first time. The discussion of the crystal structures is based on an extensive search in the Cambridge Structural Database, which confirms the distortion mode around the penta-coordinated Cu2+ center, and a more strongly distorted octahedron at the Cu2+ center relative to that at the six-coordinate Ni2+ center as well as shorter contacts Me2+ ··· N to the pyrazine N centers than to the pyridine N centers. The comparison of the monodentate terpyridyl ligand with the bidentate tetra(2-pyridyl)pyrazine suggests the preparation of Me+n-bridged polymer chains terminated by terpyridyl complexation.
Wechselwirkungen in Molekülkristallen, 126 [1,2]. Die Kationen-Solvatation in solvens-umhüllten und solvens-getrennten Ionen- Multipeln von 1,2,3,4-Tetraphenylcyclopentadienyl-Natrium-Salzen / Interactions in Molecular Crystals, 126 [1,2]. The Cation Solvation in Solvent-Shared and Solvent-Separated Ion Multiples of 1,2,3,4-Tetraphenylcyclopentadienyl-Sodium Salts
Authors: Bock Hans , Hauck Tim , Nather Christian , Havlas Zdenek
Published: August 2018

The 1,2,3,4-tetraphenyl-shielded sodium cyclopentadienide, Na⊕[HC5
⊖(C6H5)4], demonstrates essential facets of structure-determining cation solvation. The following solvent-shared or solvent-separated ion multiples have been crystallized from the respective aprotic ether solutions and structurally characterized: [(C29H21
⊖)Na⊕(THF)7/2], [(C29H21
⊖)Na⊕(DME)2]. [(C29H21
⊖)]⊖[Na⊕(diglyme)2]⊕, [(C29H21
⊖)]⊖[Na⊕(triglyme)2]⊕ and, from 18-crown-6 solution, the novel tripeldecker ion triple, [(C29H21
⊖)]⊖[Na⊕(18-crown-6)Na⊕(18-crown-6)Na⊕(18-crown-6)]⊕⊕, which contains two Na⊕ counter cations between three 18-crown-6 discs. The structures, discussed in comparison with literature data and based on MNDO calculations, demonstrate the essential effects of Na⊕ counter cation solvation by various ether ligands.
Preparation and X-Ray Structure of
Authors: Chivers Tristram , Parvez Masood
Published: August 2018

The title compound was obtained in 82% yield by the intramolecular cyclization of 4-BrC6H4C(NSCCl3)[N(SiMe3)2] in CH2CI2 at 23°C. It crystallizes in the triclinic system, space group P1̄, a = 7.957(3) Å, b = 10.864(5) Å, c = 5.625(1) Å, α = 95.94(3)°, β = 97.79(2)°, γ = 100.72(3)°, V = 469.2(3) Å3, and Z =2. The bond lengths of the planar C2N2S ring indicate partial π-delocalization.
Dppa als Komplexligand: Metall-Koordination und P-N-Spaltung in Komplexen des Typs [CpM(L)dppa]X (M = Fe, Mn; L = CO, NO) / Dppa as a Ligand: Metal Coordination and P-N Cleavage in Complexes of the Type [CpM(L)dppa]X (M = Fe, Mn; L = CO, NO)
Authors: Geicke Jan , Lorenz Ingo-Peter , Mürschel Petra , Polbom Kurt
Published: August 2018

The reactions of [CpMn(CO)2(NO)]BF4 or CpFe(CO)2Cl with PPh2NHR (R = Ph, PPh2) lead to the salts [CpML(CO)PPh2NHR]X with monodentate aminophosphine ligands. In the case of R = PPh2 (= dppa) the complexes [CpML(dppa)]X with bidentate dppa are also formed. The salt [CpFe(CO)(dppa)]Cl can be deprotonated to give the neutral complex CpFe(CO){(PPh2)2N)} with the diphosphinoamide ligand, which can be N-alkylated by Mel to afford [CpFe(CO){(PPh2)2NMe}]I. The complex [CpMn(NO)(dppa)]BF4 undergoes a P-N cleavage reaction by the solvent methanol to form [CpMn(NO)(PPh2NH2)(PPh2OMe)]BF4. The non-chelated complexes [CpFe(CO)2PPh2NHR]Cl are deprotonated by DBU to give the neutral ferrioiminophosphoranes CpFe(CO)2PPh2 = NR. For R = PPh2 photolysis leads to CO-elimination and to CpFe(CO)(PPh2NPPh2). CpFe(CO)2PPh2NPPh2 can be alkylated by Mel or metallated by CpFe(CO)2Cl to form [CpFe(CO)2PPh2NPPh2Me]I or [CpFe(CO)2PPh2NPPh2(CO)2FeCp]Cl, respectively. Oxidation of CpFe(CO)2PPh2NPPh2 is possible by (SiMe3)2O2, sulfur, or selenium to lead to the neutral complexes CpFe(CO)2PPh2=NPPh2 = E (E = O, S, Se) with a heterodiene system. The IR and NMR spectra of all species as well as the X-ray structures of the complexes [CpFe(CO)dppa]Cl, [CpMn(NO)dppa]BF4 and [CpMn(NO)(PPh2NH2)(PPh2OMe)]BF4 are reported and discussed.
Kondensationsreaktionen von Trifluornitrosomethan CF3NO mit Sulfanilamid H2NC6H4SO2NH2-Darstellung von CF3NNC6H4SO2NH2, CF3NNC6H4SO2NNCF3, CH3C(O)N(H)C6H4SO2NNCF3 und CF3C(0)N (H)C6H4SO2NH2 / Condensation Reactions of Trifluoronitrosomethane CF3NO with Sulfanilamide H2NC6H4SO2NH2- Preparation of CF3NNC6H4SO2NH2, CF3NNC6H4SO2NNCF3, CH3C(0)N(H)C6H4SO2NNCF3 and CF3C(0)N (H)C6H4SO2NH2
Authors: Minkwitz Rolf , Jakob Jens , Winter Andreas
Published: August 2018

We report the condensations of trifluoronitrosom ethane with sulfanilamide. The new compounds p-trifluorom ethylazophenylsulfonamide CF3NNC6H4SO2NH2, p-trifluorom ethylazosulfonyltrifluorom ethylazobenzole CF3NNC6H4SO2NNCF3 and p-trifluoromethylazosulfonylacetanilide CH3C(O)N(H)C6H4SO2NNCF3 were characterized by elemental analysis, IR, Raman, mass, 1H , 19F and 13C NMR spectroscopy. In addition we present our approach to the preparation of p-trifluorom ethylazosulfonylaniline H2NC6H 4SO2NNCF3 by using protecting groups for the amino group.