bluuebunny/crossref_metadata_2025 huggingface dataset:
A Novel Method for Investigation of Entropic Stress in Prestabilization of PAN‐Based Precursor Fibers
Authors: Sabet Ehsanollah Nosratian , Nourpanah Parviz , Arbab Shahram
Published: December 2015

Applying stress in the fiber axis direction during the prestabilization process is the best method to control entropic relaxation. Evaluation of entropic stress is necessary for exact determination of required imposed stress. Accordingly, in this paper three types of special‐grade polyacrylonitrile (PAN) fibers with different physical‐mechanical properties and morphological characteristic are studied. To determine thermal‐induced entropic stresses, we use the thermomechanical analysis method from room temperature to beginning of chemical reactions under certain stresses. It is shown that three thermophysical behaviors including the first return, second return, and sans return occurs under certain stresses during the thermal process. There are distinct temperatures for the first and second return behaviors, in which fibers return to primary length after shrinkage or elongation. These temperatures depend on imposed stress during prestabilization. We found that if no elongation or fiber shrinkage occurs in a specific stress and temperature, it shows that imposed stress is equivalent to thermal entropic stress. Changes in shrinkage as a function of temperature for various external imposed stresses are also observed. According to our findings, the onset of entropic stress strongly depends on the orientation index of the paracrystalline region. The maximum entropic stress occurs in the rubbery flow region in amorphous phases and can be obtained from a derivative of the second‐order polynomial trend line of the entropic stress–temperature diagram.
Effects of Values and Personality on Demand for Organic Produce
Authors: Grebitus Carola , Dumortier Jerome
Published: December 2015

Personality and human values have shown effects on consumer preferences and willingness to pay. This paper analyzes simultaneously the impact of human values and personality on the demand for organic tomatoes applying open‐ended choice experiments. Results show that consumers make a distinction between conventional and organic tomatoes, such that human values have a differential impact with regard to predicting demand for products associated with organic labels. Consumers with strong individualistic domains of hedonism and stimulation are more likely to have a higher demand for organic, the same holds for consumers with the strong collectivist domain conformity, and those values that regard both (security and universalism). Also, consumers distinguish between conventional and organic tomatoes, such that personality has a differential impact with regard to predicting demand for organic products. The more agreeable the consumer, the higher the demand for organic tomatoes. In addition, results indicate that when modeled simultaneously, values are more stable in affecting demand compared to effects resulting from personality. Overall, results indicate that human values and personality are able to explain a portion of the variability of demand.
Does human ejaculate quality relate to phenotypic traits?
Authors: Jeffery Austin John , Pham Michael N. , Shackelford Todd K. , Fink Bernhard
Published: December 2015

A given man's phenotype embodies cues of his ancestral ability to effectively defend himself and his kin from harm, to survive adverse conditions, and to acquire status and mating opportunities. In this review, we explore the hypothesis that a man's phenotype also embodies cues to fertility or the probability that an ejaculate will fertilize ova. Female mate choice depends on the ability to discern the quality of a male reproductive partner through his phenotype, and male fertility may be among the traits that females have evolved to detect. A female who selects as mates males that deliver higher quality ejaculates will, on average, be more fecund than her competitors. Data on several non‐human species demonstrate correlations between ejaculate quality and secondary sexual characteristics that inform female mate choice, suggesting that females may select mates in part on the basis of fertility. While the non‐human literature on this topic has advanced, the human literature remains limited in scope and there is no clear consensus on appropriate methodologies or theoretical positions. We provide a comprehensive review and meta‐analysis of this literature, and conclude by proposing solutions to the many issues that impede progress in the field. In the process, we hope to encourage interest and insight from investigators in other areas of human mating and reproductive biology. Am. J. Hum. Biol. 28:318–329, 2016. © 2015 Wiley Periodicals, Inc.
Reversible Fluoreszenzsonden für biologische Redoxzustände
Authors: Kaur Amandeep , Kolanowski Jacek L. , New Elizabeth J.
Published: December 2015

Die Redoxchemie der Zelle ist für deren Funktionstüchtigkeit und Gesundheit von entscheidender Bedeutung. Dementsprechend ist es wichtig, chemische Hilfsmittel für die Untersuchung der Redoxbiologie zu entwickeln. Während Veränderungen im oxidativen Zustand für eine gesunde Zellfunktion wesentlich sind, wird eine chronisch erhöhte oxidative Kapazität mit Krankheiten in Verbindung gebracht. Es ist daher entscheidend, dass Sonden biologischer Redoxzustände zwischen diesen beiden Bedingungen unterscheiden können, indem sie Veränderungen reversibel über die Zeit erfassen. In diesem Kurzaufsatz diskutieren wir die gegenwärtigen Fortschritte bei solchen Sonden und ermitteln die Hauptrichtungen für zukünftige Forschungen auf diesem aufstrebenden Gebiet, das von grundlegendem biologischem Interesse ist.
Systemically Injectable Enzyme‐Loaded Polyion Complex Vesicles as In Vivo Nanoreactors Functioning in Tumors
Authors: Anraku Yasutaka , Kishimura Akihiro , Kamiya Mako , Tanaka Sayaka , Nomoto Takahiro , Toh Kazuko , Matsumoto Yu , Fukushima Shigeto , Sueyoshi Daiki , Kano Mitsunobu R. , Urano Yasuteru , Nishiyama Nobuhiro , Kataoka Kazunori
Published: December 2015

The design and construction of nanoreactors are important for biomedical applications of enzymes, but lipid‐ and polymeric‐vesicle‐based nanoreactors have some practical limitations. We have succeeded in preparing enzyme‐loaded polyion complex vesicles (PICsomes) through a facile protein‐loading method. The preservation of enzyme activity was confirmed even after cross‐linking of the PICsomes. The cross‐linked β‐galactosidase‐loaded PICsomes (β‐gal@PICsomes) selectively accumulated in the tumor tissue of mice. Moreover, a model prodrug, HMDER‐βGal, was successfully converted into a highly fluorescent product, HMDER, at the tumor site, even 4 days after administration of the β‐gal@PICsomes. Intravital confocal microscopy showed continuous production of HMDER and its distribution throughout the tumor tissues. Thus, enzyme‐loaded PICsomes are useful for prodrug activation at the tumor site and could be a versatile platform for enzyme delivery in enzyme prodrug therapy.
Reversible Fluorescent Probes for Biological Redox States
Authors: Kaur Amandeep , Kolanowski Jacek L. , New Elizabeth J.
Published: December 2015

The redox chemistry of the cell is key to its function and health, and the development of chemical tools to study redox biology is important. While fluxes in oxidative state are essential for healthy cell function, a chronically elevated oxidative capacity is linked to disease. It is therefore essential that probes of biological redox states distinguish between these two conditions by the reversible sensing of changes over time. In this review, we discuss the current progress towards such probes, and identify key directions for future research in this nascent field of vital biological interest.
Knots “Choke Off” Polymers upon Stretching
Authors: Stauch Tim , Dreuw Andreas
Published: December 2015

Long polymer chains inevitably get tangled into knots. Like macroscopic ropes, polymer chains are substantially weakened by knots and the rupture point is always located at the “entry” or “exit” of the knot. However, these phenomena are only poorly understood at a molecular level. Here we show that when a knotted polyethylene chain is tightened, most of the stress energy is stored in torsions around the curved part of the chain. The torsions act as “work funnels” that effectively localize mechanical stress in the immediate vicinity of the knot. As a result, the knot “chokes” the chain at its entry or exit, thus leading to bond rupture at much lower forces than those needed to break a linear, unknotted chain. Our work not only explains the weakening of the polymer chain and the position of the rupture point, but more generally demonstrates that chemical bonds do not have to be extensively stretched to be broken.
Anticancer Potencies of PtII‐ and PdII‐linked M2L4 Coordination Capsules with Improved Selectivity
Authors: Ahmedova Anife , Momekova Denitsa , Yamashina Masahiro , Shestakova Pavletta , Momekov Georgi , Akita Munetaka , Yoshizawa Michito
Published: December 2015

PtII‐ and PdII‐linked M2L4 coordination capsules, providing a confined cavity encircled by polyaromatic frameworks, exhibit anticancer activities superior to cisplatin against two types of leukemic cells (HL‐60 and SKW‐3) and pronounced toxicity against cisplatin‐resistant cells (HL‐60/CDDP). Notably, the cytotoxic selectivities of the PtII and PdII capsules toward cancerous cells are up to 5.3‐fold higher than that of cisplatin, as estimated through the non‐malignant/malignant‐cells toxicity ratio employing normal kidney cells (HEK‐293). In addition, the anticancer activity of the coordination capsules can be easily altered upon encapsulation of organic guest molecules.
Asphaltarmierungen im Straßenbau
Authors: Eberth Florian
Published: December 2015

Die Bauweise der Asphaltarmierungen hat sich am Markt durchgesetzt, da sie durch ihre vorbeugende Wirkung als Rissprophylaxe sehr wirtschaftlich ist. Hohe Unterhaltungskosten z.B. für das Vergießen von Rissen bzw. der aus unbehandelten Rissen entstehenden Folgeschäden, können zukünftig eingespart werden.

Dieser Artikel geht auf die Grundlagen und Wirkungsweise spannungsaufbauender Asphaltarmierungen ein. Generell gelten diese Grundlagen für alle spannungsaufbauenden Armierungen im Bauwesen. So können die hier vorgestellten Wirkungsweisen beispielsweise auch auf die Stahlbewehrung im Stahlbetonbau übertragen werden und umgekehrt.
Sandwichelemente mit Deckschichten aus Hochleistungsbeton und einem Kern aus extrudiertem Polystyrol
Authors: Müller Frank , Kohlmeyer Christian , Schnell Jürgen
Published: December 2015

Im Rahmen eines Forschungsprojekts an der Technischen Universität Kaiserslautern wurden Sandwichelemente mit dünnen Deckschichten aus Hochleistungsbeton (HPC) und einem Kern aus extrudiertem Polystyrol (XPS) ausführlich experimentell und rechnerisch untersucht [1]. Die Deckschichten wiesen eine Dicke von 10 bis 20 mm auf und wurden mit dem Kern, der eine Dicke von 120 bis 140 mm hatte, nur über die thermisch geprägte, rautenförmige Oberflächenstruktur der XPS‐Dämmplatten verbunden (Bild 1). Das Tragverhalten der Sandwichelemente wurde sowohl experimentell in Biegeversuchen, Scherversuchen und großmaßstäblichen Bauelementversuchen als auch rechnerisch in Parameterstudien mit Finite‐Element‐(FE)‐Software untersucht. Die Dauerhaftigkeit des Verbunds wurde weiterhin in Ermüdungsversuchen, Frost‐Tau‐Wechselversuchen und Dauerstandsversuchen erforscht. Die Ergebnisse der Untersuchungen sind in dieser Veröffentlichung zusammengefasst. Weiterhin wird ein Nachweiskonzept auf Grundlage der Norm DIN EN 14509 für die Bemessung von Sandwichelementen mit metallischen Deckschichten [2] vorgeschlagen. Die Anwendbarkeit des Nachweiskonzepts wird anhand der Nachrechnung der Versuche dargelegt.

Sandwich elements with facings of high performance concrete and a core of extruded polystyrene foam

As part of a research project at the Technische Universität Kaiserslautern, sandwich elements with thin facings of high performance concrete (HPC) and a core of extruded polystyrene foam (XPS) were experimentally and numerically investigated [1]. The facings featured a thickness of 10 to 20 mm and were bonded with the core with a thickness of 120 to 140 mm by a thermally imprinted, diamond‐shaped surface structure of the XPS insulation panels (Figure 1). The load‐bearing behaviour of the sandwich elements was investigated experimentally in bending, shear and large‐scale element tests as well as numerically by parametric studies with finite element (FE)‐software. Furthermore, the durability of the bond was investigated in fatigue tests, freeze‐thaw tests and long‐term loading tests. The results of the investigations are summarized in this paper. Additionally, a concept for the structural verification on the basis of standard DIN EN 14509 for the design of metal‐faced sandwich elements [2] is presented. The applicability of the concept is verified by the calculation of the experiments.
Erhöhung des Durchstanzwiderstands von Flachdecken durch Verbundeinbauteile aus UHPC
Authors: Randl Norbert , Ricker Marcus , Häusler Frank , Steinberger Stephan
Published: December 2015

Zur Beurteilung der möglichen Tragfähigkeitssteigerung von Flachdecken durch UHPC‐Verbundeinbauteile wurden neun Durchstanzversuche an Flachdeckenauschnitten im Bereich einer Innenstütze durchgeführt. Alle Versuchskörper waren mit Doppelkopfankern als Durchstanzbewehrung versehen. In acht Platten war zusätzlich zu den Doppelkopfankern ein Einbauteil aus faserbewehrtem UHPC vorhanden, um die Druckzone am Stützenanschnitt zu verstärken. Dabei wurden UHPC‐Einbauteile mit zwei unterschiedlichen Außendurchmessern verwendet. Weiterhin wurden einige Elemente durch die Anordnung von Fugen mehrteilig ausgeführt. Um einen nachträglichen Einbau der Doppelkopfanker zu ermöglichen, wurde ein Teil der Einbauteile zusätzlich mit Ankergassen ausgeführt. In den Versuchen mit UHPC‐Einbauteilen wurden signifikant höhere Bruchlasten erreicht als bei der Referenzplatte, die nur mit Doppelkopfankern als Durchstanzbewehrung versehen war. In den Versuchen mit den kleineren UHPC‐Einbauteilen konnte ein Durchstanzen außerhalb als Versagensursache benannt werden, wohingegen bei den größeren Einbauteilen eine deutliche Schädigung auch im Bereich des UHPC zu beobachten war.

Enhancement of punching shear capacity of flat slabs by built‐in UHPC composite elements

A total of nine punching shear tests on interior column‐slab connections was performed to investigate the potential enhancement of the shear punching capacity in flat slabs. All test specimens included double‐headed studs as punching shear reinforcement. Eight slabs were additionally reinforced in the vicinity of the column by an UHPC unit. These elements were built in around the columns in the slab compression zone, replacing there the normal strength concrete (NSC). UHPC units with two different diameters were applied. Several of these elements were provided with joints and channels for the double‐headed studs. The slabs including an UHPC element reached significantly higher failure loads than the test specimens without such an element. In the slabs including the smaller UHPC units, a clear punching shear failure outside the elements was observed. In the case of the larger UHPC units, significant cracks occurred inside the elements, indicating the initiation of a failure of the UHPC.
Variation is function: Are single cell differences functionally important?
Authors: Dueck Hannah , Eberwine James , Kim Junhyong
Published: December 2015

There is a growing appreciation of the extent of transcriptome variation across individual cells of the same cell type. While expression variation may be a byproduct of, for example, dynamic or homeostatic processes, here we consider whether single‐cell molecular variation per se might be crucial for population‐level function. Under this hypothesis, molecular variation indicates a diversity of hidden functional capacities within an ensemble of “identical” cells, and this functional diversity facilitates collective behavior that would be inaccessible to a homogenous population. In reviewing this topic, we explore possible functions that might be carried by a heterogeneous ensemble of cells; however, this question has proven difficult to test, both because methods to manipulate molecular variation are limited and because it is complicated to define, and measure, population‐level function. We consider several possible methods to further pursue the hypothesis that “variation is function” through the use of comparative analysis and novel experimental techniques.
Impact of body fat distribution on neoadjuvant chemotherapy outcomes in advanced breast cancer patients
Authors: Iwase Toshiaki , Sangai Takafumi , Nagashima Takeshi , Sakakibara Masahiro , Sakakibara Junta , Hayama Shouko , Ishigami Emi , Masuda Takahito , Miyazaki Masaru
Published: December 2015

Obesity is known to decrease the efficacy of neoadjuvant chemotherapy (NAC) against breast cancer; however, the relationship between actual body composition and NAC outcomes remains unknown. Therefore, we determined the effect of body composition on NAC outcomes. A total of 172 advanced breast cancer patients who underwent surgery after NAC were retrospectively analyzed. Body composition parameters including abdominal circumference (AC), subcutaneous fat area (SFA), visceral fat area (VFA), and skeletal muscle area (SMA) were calculated using computed tomography volume‐analyzing software. VFA/SFA ratio was used to evaluate visceral obesity. The associations of body composition parameters with pathological complete remission (pCR) and survival were analyzed. AC, SFA, and VFA were significantly correlated with body mass index (BMI) (all P < 0.05; r = 0.82, r = 0.71, and r = 0.78, respectively). AC, SFA, and VFA increased significantly and SMA decreased significantly after menopause (all P < 0.05). VFA/SFA ratio increased significantly after menopause, even though BMI remained unchanged. Body composition parameters were not associated with pCR. Distant disease‐free survival (DDFS) was significantly worse in the high VFA group than in the low VFA group (P < 0.05). Furthermore, in the high VFA group, postmenopausal patients had significantly shorter DDFS than premenopausal patients (P < 0.05). VFA was independently associated with DDFS in the multivariate analysis (P < 0.05). High visceral fat is associated with worse NAC outcomes in breast cancer patients, especially postmenopausal patients. Interventions targeting visceral fat accumulation will likely improve NAC outcomes.
Selective Functionalization of Graphene Peripheries by using Bipolar Electrochemistry
Authors: Zuccaro Laura , Kuhn Alexander , Konuma Mitsuharu , Yu Hak Ki , Kern Klaus , Balasubramanian Kannan
Published: December 2015

We present a contactless strategy based on bipolar electrochemistry for the local chemical modification of monolayer graphene sheets supported on a substrate. Specifically, peripheral graphene regions are directly modified by copper nanoparticles, the characteristics of which are controllable through the bipolar deposition parameters. This functionalization route provides access to hybrid monolayer graphene modified, for example, with two different metals on opposing peripheries. The presented strategy constitutes a new way to functionalize graphene and an avenue for systematically studying bipolar electrochemistry at the nanoscale.
Giant Volume Change and Topological Gaps in Temperature‐ and Pressure‐Induced Phase Transitions: Experimental and Computational Study of ThMo2O8
Authors: Xiao Bin , Kegler Philip , Gesing Thorsten M. , Robben Lars , Blanca‐Romero Ariadna , Kowalski Piotr M. , Li Yan , Klepov Vladislav , Bosbach Dirk , Alekseev Evgeny V.
Published: December 2015

By applying high temperature (1270 K) and high pressure (3.5 GPa), significant changes occur in the structural volume and crystal topology of ThMo2O8, allowing the formation of an unexpected new ThMo2O8 polymorph (high‐temperature/high‐pressure (HT/HP) orthorhombic ThMo2O8). Compared with the other three ThMo2O8 polymorphs prepared at the ambient pressure (monoclinic, orthorhombic, and hexagonal phases), the molar volume for the quenched HT/HP–orthorhombic ThMo2O8 is decreased by almost 20 %. As a result of such a dramatic structural transformation, a permanent high‐pressure quenchable state is able to be sustained when the pressure is released. The crystal structures of the three ambient ThMo2O8 phases are based on three‐dimensional (3D) frameworks constructed from corner‐sharing ThOx (x=6, 8, or 9) polyhedra and MoO4 tetrahedra. The HT/HP–orthorhombic ThMo2O8, however, crystallizes in a novel structural topology, exhibiting very dense arrangements of ThO11 and MoO4+1 polyhedra connecting along the crystallographic c axis. The phase transitions among all four of these ThMo2O8 polymorphs are unveiled and fully characterized with regard to the structural transformation, thermal stability, and vibrational properties. The complementary first principles calculations of Gibbs free energies reveal the underlying energetics of the phase transition, which support the experimental findings.
Attractive Dispersion Interactions Versus Steric Repulsion of tert‐Butyl groups in the Crystal Packing of a D3h‐Symmetric Tris(quinoxalinophenanthrophenazine)
Authors: Kohl Bernd , Bohnwagner Mercedes V. , Rominger Frank , Wadepohl Hubert , Dreuw Andreas , Mastalerz Michael
Published: December 2015

The crystalline packing of a π‐extended D3h‐symmetric triptycene reveals a particular π stacking motif with an almost‐eclipsed arrangement of adjacent π planes despite the steric repulsion of tert‐butyl substituents. Four model compounds were analyzed by using single‐crystal X‐ray diffraction and theoretical calculations to study the influence of dispersion interactions of molecular parts and understand the relationship between the molecular structure and this unique packing motif.
Thermal tolerance and climate warming sensitivity in tropical snails
Authors: Marshall David J. , Rezende Enrico L. , Baharuddin Nursalwa , Choi Francis , Helmuth Brian
Published: December 2015

Tropical ectotherms are predicted to be especially vulnerable to climate change because their thermal tolerance limits generally lie close to current maximum air temperatures. This prediction derives primarily from studies on insects and lizards and remains untested for other taxa with contrasting ecologies. We studied theHCT(heat coma temperatures) and ULT (upper lethal temperatures) of 40 species of tropical eulittoral snails (Littorinidae and Neritidae) inhabiting exposed rocky shores and shaded mangrove forests in Oceania, Africa, Asia and North America. We also estimated extremes in animal body temperature at each site using a simple heat budget model and historical (20 years) air temperature and solar radiation data. Phylogenetic analyses suggest thatHCTandULTexhibit limited adaptive variation across habitats (mangroves vs. rocky shores) or geographic locations despite their contrasting thermal regimes. Instead, the elevated heat tolerance of these species (HCT = 44.5 ± 1.8°C andULT = 52.1 ± 2.2°C) seems to reflect the extreme temperature variability of intertidal systems. Sensitivity to climate warming, which was quantified as the difference betweenHCTorULTand maximum body temperature, differed greatly between snails from sunny (rocky shore; Thermal Safety Margin,TSM = −14.8 ± 3.3°C and −6.2 ± 4.4°C forHCTandULT, respectively) and shaded (mangrove) habitats (TSM = 5.1 ± 3.6°C and 12.5 ± 3.6°C). NegativeTSMs in rocky shore animals suggest that mortality is likely ameliorated during extreme climatic events by behavioral thermoregulation. Given the low variability in heat tolerance across species, habitat and geographic location account for most of the variation inTSMand may adequately predict the vulnerability to climate change. These findings caution against generalizations on the impact of global warming across ectothermic taxa and highlight how the consideration of nonmodel animals, ecological transitions, and behavioral responses may alter predictions of studies that ignore these biological details.
Dinuclear Di(N‐heterocyclic carb­ene) Iridium(III) Complexes as Catalysts in Transfer Hydrogenation
Authors: Volpe Andrea , Baldino Salvatore , Tubaro Cristina , Baratta Walter , Basato Marino , Graiff Claudia
Published: December 2015

Two novel di(N‐heterocyclic carbene) complexes of formula (μ‐PyrIm‐CH2‐ImPyr)[IrCp*Cl]2(PF6)2 (1) and μ‐MeIm‐CH2(p‐C6H2)CH2‐ImMe[IrCp*Cl]2 (2) (Im = imidazol‐2‐ylidene) have been synthesised by transmetallation of the dicarbene ligand from the corresponding dicarbene silver complex, using [IrCp*(μ‐Cl)Cl]2 as an iridium precursor. The structure of complex 2 has been determined by X‐ray diffraction and is characterized by a double ortho‐metallation of the p‐xylylene bridge between the carbene units. Both complexes show good activity in the transfer hydrogenation of ketones to alcohols in 2‐propanol.
Ullmann‐Type and Related Redox Reactions of Nitrosyl Molybdenum Complexes Bearing a Large‐Bite‐Angle Diphosphine
Authors: Chakraborty Subrata , Kunjanpillai Rajesh , Blacque Olivier , Berke Heinz
Published: December 2015

The reactions of ArX (X = Cl and Br) with [Mo(NO)(P∩P)(NCMe)3][BArF4] P∩P = 2,2′‐bis(diphenylphosphanyl)diphenyl ether (DPEphos), BArF4 = tetrakis[3,5‐bis(trifluoromethyl)phenyl]borate at 120 °C resulted in the formation of biphenyl (through CAr–CAr reductive homocoupling) and the dinuclear halide salts [Mo2(NO)2(P∩P)2(NCMe)2(μ‐X)2][BArF4]2 (X = Cl, 1; Br, 2). Complexes 1 and 2 potentially show cisoid (1c and 2c) and transoid (1t and 2t) regioisomerism with respect to the position of the NO ligand. The crystal‐structure determinations of 1 and 2 revealed the presence of the transoid isomers 1t and 2t and MI–MI bonding in both cases. A proposed mechanism for the formation of 1t and 2t involves reductive CAr–CAr coupling to form biphenyl from two Ph–MoII centers. In addition, the complexes Mo(NO)(P∩P)(CO)2Cl (3) and [Mo(NO)(mer‐κ3‐P,P,O‐DPEphos)Cl(PR3)] (R = Me, 4; Ph, 5) were obtained through the reductions of [Mo2(NO)2(P∩P)2Cl4(μ‐Cl)2].
Molecular Design and Synthesis of a Planar Telomestatin Analogue
Authors: Seyfried Martin S. , Alzeer Jawad , Luedtke Nathan W.
Published: December 2015

Hypothetical macrocycles containing eight fused oxazole units would be logical planar analogues of telomestatin, but DFT calculations suggest the presence of excessive macrocyclic ring strain in such molecules that could complicate their synthesis and/or stability. We therefore designed a planar, C4‐symmetric macrocycle composed of four oxazole and four thiazole units containing little or no ring strain. Cyclo(‐ox‐thia)4 (1) was successfully prepared from serine and cysteine in 19 steps to furnish the first example of an octa‐azole macrocycle containing eight fused azole units.
Preparation of Tri‐ and Hexasubstituted Triptycene Synthons by Transition Metal Catalyzed Cross‐Coupling Reactions for Post‐Modifications
Authors: Moylan Claire , Rogers Luke , Shaker Yasser M. , Davis Mia , Eckhardt Hans‐Georg , Eckert Raphael , Ryan Aoife A. , Senge Mathias O.
Published: December 2015

Rational building strategies and appropriate synthons have been developed for the use of triptycene as a rigid presenting scaffold. Palladium‐catalyzed cross‐coupling reactions, such as Sonogashira and Suzuki couplings, were used to install a variety of different synthetic handles around the triptycene periphery in a high‐yielding and controlled manner. These triptycene molecular handles were investigated for their potential in the construction of molecular arrays with defined spatial orientation e.g., for host‐guest interactions or drug delivery systems. Such molecular synthons afforded expansion from the triptycene core by employing arm extension to increase the internal free volume characteristic of triptycene scaffolds for such applications. In addition, a range of mesogenic and glycosyl triptycene derivatives were achieved as a synthetic proof of concept for future work on potential drug delivery systems.
Preparation of Fe3O4/attapulgite/polyvinylalcohol composites and its treatment for methyl orange in neutral condition
Authors: Yanbin Tong , Hongsheng Liu , Zhili He , Jinjun Deng , Fankun Meng , Liqun Sun , Li Zhao
Published: December 2015

In the article, Fe3O4/attapulgite/polyvinylalcohol composites were successfully prepared by the method of coprecipitation. SEM, XRD, and FTIR were used to make characterizations of properties. The composites were flake form. The composites had the ability to treat methyl orange effectively in neutral condition. The best dosage of polyvinyl alcohol was 0.7715 g. With the increase of H2O2 and the prolonging of the laying time, the absorbance decreased. When the dosage of H2O2 was 15 mL and the laying time was 24 h, the efficiency of treatment was 99.99%. © 2015 American Institute of Chemical Engineers Environ Prog, 35: 715–718, 2016
The Role of Survey Data in Nowcasting Euro Area GDP Growth
Authors: Girardi Alessandro , Gayer Christian , Reuter Andreas
Published: December 2015

This paper evaluates the impact of new releases of financial, real activity and survey data on nowcasting euro area gross domestic product (GDP). We show that all three data categories positively impact on the accuracy of GDP nowcasts, whereby the effect is largest in the case of real activity data. When treating variables as if they were all published at the same time and without any time lag, financial series lose all their significance, while survey data remain an important ingredient for the nowcasting exercise. The subsequent analysis shows that the sectoral coverage of survey data, which is broader than that of timely available real activity data, as well as their information content stemming from questions focusing on agents' expectations, are the main sources of the ‘genuine’ predictive power of survey data. When the forecast period is restricted to the 2008–09 financial crisis, the main change is an enhanced forecasting role for financial data. Copyright © 2015 John Wiley & Sons, Ltd.
The long path to approval of the Semmering Base Tunnel and the effect on construction progress / Der lange Weg zur Genehmigung des Semmering‐Basistunnels und Auswirkungen auf den Bauablauf
Authors: Gobiet Gerhard , Nipitsch Gernot
Published: December 2015

With the ruling of the Austrian federal administrative court in May 2015, all necessary permits have now been issued for the construction of the Semmering Base Tunnel. The project is one of the most reviewed projects in Austria, and as the other authorities had done previously, the federal administrative court once again confirmed the environmental acceptability of the project. Until the judgement of the constitutional high court with the revocation of the construction permit (served on 10 February 2014), all necessary preliminary works had been carried out on schedule and within budget since 2012. The preliminary works started in the Fröschnitzgraben in January 2014 could however only be continued with limitations on the basis of official notifications issued without preliminary investigation. No construction could take place at the landfill site due to the lack of a decision under the waste management law. Only after the ruling by the federal administrative court could the construction works be resumed at full pace. Works started soon after in the Gloggnitz tunnel section in Lower Austria on 1 July 2015. Construction works for the third and final tunnel section, Grautschenhof , were officially tendered on 2 September 2015. By 2016, all tunnel construction contracts should be continuously under construction.

Für den Bau des Semmering‐Basistunnels liegen nach der erfolgten Entscheidung des Bundesverwaltungsgerichts im Mai 2015 nun alle erforderlichen Genehmigungen vor. Das Projekt ist eines der meistgeprüften Projekte Österreichs, und wie schon die anderen Behörden zuvor, hat auch das Bundesverwaltungsgericht erneut die Umweltverträglichkeit des Projekts bestätigt. Bis zum Urteil des Verwaltungsgerichthofs mit der Aufhebung des Baubescheids (Zustellung 10. Februar 2014) konnten alle erforderlichen Vorarbeiten seit 2012 im Zeit‐ und Kostenrahmen umgesetzt werden. Die im Fröschnitzgraben im Januar 2014 begonnen Vorarbeiten konnten jedoch nur eingeschränkt auf Basis von Mandatsbescheiden fortgeführt werden. In der Deponie konnte wegen des Fehlens des AWG‐Bescheids gar nicht gebaut werden. Erst mit Vorliegen der Entscheidung durch das Bundesverwaltungsgericht konnten die Bauarbeiten wieder volle Fahrt aufnehmen. Der Baubeginn des niederösterreichischen Tunnelabschnitts Gloggnitz erfolgte bereits am 1. Juli 2015. Die Bauarbeiten des dritten und letzten Tunnelabschnitts Grautschenhof wurden am 2. September 2015 öffentlich ausgeschrieben. Ab Frühjahr 2016 sind voraussichtlich alle Tunnelbaulose durchgängig in Bau.
The third tunnel boring machine for the Koralm Tunnel / Die dritte Tunnelvortriebsmaschine für den Koralmtunnel
Authors: Kiesling Andreas , Glösl Harald , Nussbaumer Alex
Published: December 2015

On contract KAT3 of the Koralm Tunnel, a multi‐mode tunnel boring machine with a diameter of 9,940 mm and an overall length of about 250 m will be used. The capability of the machine to be rebuilt from earth pressure to hard rock mode will enable it to bore through geologically different rock mass zones. It will be assembled in the launching excavation at Mitterpichling and at the west portal on the site facilities area, where the entire necessary infrastructure and segment production plant are situated. The particular geological challenges demand preliminary trials and special equipment on the tunnel boring machine.

Im Baulos KAT3 des Koralmtunnels kommt eine Multimode‐Tunnelvortriebsmaschine, mit einem Durchmesser von 9.940 mm und einer Gesamtlänge von ca. 250 m, zum Einsatz. Die Umbaubarkeit der TVM vom Erddruck‐ auf den Hartgesteinsmodus ermöglicht die Durchörterung der geologisch unterschiedlichen Gebirgsbereiche. Die Montage erfolgt in der Baugrube Mitterpichling sowie am Westportal auf der Baustelleneinrichtungsfläche, auf der auch die gesamte erforderliche Infrastruktur und die Tübbingfabrik liegen. Die besonderen geologischen Herausforderungen erfordern Vorversuche und spezielle Einrichtungen auf der Tunnelvortriebsmaschine.
Causal Genetic Inference Using Haplotypes as Instrumental Variables
Authors: Wang Fan , Meyer Nuala J. , Walley Keith R. , Russell James A. , Feng Rui
Published: December 2015

In genomic studies with both genotypes and gene or protein expression profile available, causal effects of gene or protein on clinical outcomes can be inferred through using genetic variants as instrumental variables (IVs). The goal of introducing IV is to remove the effects of unobserved factors that may confound the relationship between the biomarkers and the outcome. A valid inference under the IV framework requires pairwise associations and pathway exclusivity. Among these assumptions, the IV expression association needs to be strong for the casual effect estimates to be unbiased. However, a small number of single nucleotide polymorphisms (SNPs) often provide limited explanation of the variability in the gene or protein expression and can only serve as weak IVs. In this study, we propose to replace SNPs with haplotypes as IVs to increase the variant‐expression association and thus improve the casual effect inference of the expression. In the classical two‐stage procedure, we developed a haplotype regression model combined with a model selection procedure to identify optimal instruments. The performance of the new method was evaluated through simulations and compared with the IV approaches using observed multiple SNPs. Our results showed the gain of power to detect a causal effect of gene or protein on the outcome using haplotypes compared with using only observed SNPs, under either complete or missing genotype scenarios. We applied our proposed method to a study of the effect of interleukin‐1 beta (IL‐1β) protein expression on the 90‐day survival following sepsis and found that overly expressed IL‐1β is likely to increase mortality.
A new static p‐y approach for piles with arbitrary dimensions in sand
Authors: Thieken Klaus , Achmus Martin , Lemke Katrin
Published: December 2015

When it comes to the general design of laterally loaded piles in offshore environments, bedding resistance is usually modelled by the p‐y method recommended in the offshore guidelines (OGL). Several investigations presented in the literature indicate that the head displacements of large‐diameter monopiles are underestimated for extreme loads but overestimated for small operational loads. An extensive evaluation of the OGL method is presented here using three‐dimensional numerical simulations. The evaluation has shown that the OGL method is not applicable for the design of large‐diameter piles. Moreover, modified p‐y formulations presented in the literature accounting for the effect of the pile diameter are also not generally suitable for piles with arbitrary dimensions and load levels. Therefore, the derivation of a new p‐y approach is presented in detail. The new approach consists of “basic p‐y curves” that are valid for a pile of infinite length exhibiting a constant horizontal deflection. In an iterative scheme, these basic curves are adapted depending on the pile deflection line and the pile length to account for a more realistic bedding resistance along the pile shaft. A comprehensive parametric study with 250 pile‐soil systems reveals that the new p‐y approach is able to predict the horizontal loadbearing behaviour as well as the local pile‐soil interaction quite realistically.

Ein neuer statischer p‐y‐Ansatz für Pfähle beliebiger Abmessungen in Sand. Für die Bemessung horizontal belasteter Offshore‐Pfähle wird der Bettungswiderstand üblicherweise durch die in den Offshore‐Richtlinien (OGL) empfohlene p‐y‐Methode ermittelt. Verschiedene Untersuchungen aus der Literatur zeigen, dass die Verformungen von Monopiles mit großen Durchmessern für Extremlasten durch die OGL‐Methode unterschätzt, für geringe Betriebslasten dagegen überschätzt werden. Der vorliegende Artikel beinhaltet eine umfassende Bewertung der p‐y‐Methode basierend auf dreidimensionalen numerischen Simulationen. Als Ergebnis ist festzustellen, dass die OGL‐Methode zur Bemessung von Pfählen großer Durchmesser nicht geeignet erscheint. Auch modifizierte p‐y‐Ansätze zur Berücksichtigung des Einflusses des Pfahldurchmessers sind nicht generell anwendbar für Pfähle beliebiger Abmessungen und Belastungen. Diesbezüglich soll die Ermittlung eines neuen p‐y‐Ansatzes dargestellt werden. Der neue Ansatz basiert auf sogenannten “p‐y‐Basiskurven”, welche Gültigkeit für einen unendlich langen Pfahl mit einer über die Länge konstanten horizontalen Verschiebung aufweisen. In einem iterativen Vorgehen werden diese Basiskurven zur Erreichung eines realistischen Verlaufs der Bettungswiderstände in Abhängigkeit der Pfahlbiegelinie und ‐länge angepasst. Eine umfassende Parameterstudie mit 250 Pfahl‐Bodensystemen zeigt, dass der neue p‐y‐Ansatz geeignet ist, sowohl das globale Tragverhalten als auch die lokalen Pfahl‐Boden‐Interaktionen realistisch zu prognostizieren.
Setzungsfließen
Authors: Gudehus Gerd , Keßler Jürgen , Lucke Beate
Published: December 2015

Der Begriff Setzungsfließen bezeichnet eine Rutschung von teilweise geflutetem lockerem Sand in geneigtem oder abgeböschtem Gelände mit Verflüssigung unterhalb einer erdfeuchten Deckschicht. Durch Initiale genannte mechanische Störungen wird der Porenwasserdruck erhöht und eine Kettenreaktion ausgelöst, bei der nacheinander Teile einer erdfeuchten Deckschicht auf einer zunehmenden Sandbreizone wegschwimmen, bis die bewegte Masse sich talseits – ggf. unter Wasser – staut und sich bergseits in Bruchstaffeln verklemmt. In offenem Wasser vor einem Böschungsfuß entstehen dabei infolge rascher Verdrängung Schwallwellen. Ein lockeres geflutetes Korngefüge neigt mit gashaltigen Makroporen vermehrt zur Verflüssigung. Das in einer von selbst voranlaufenden Front zu Sandbrei kollabierende Korngefüge erzeugt kilometerweit beobachtbare seismische Wellen. Hinter der Front steigen Gas und Wasser aus dem Sandbrei auf und reißen Körner mit. Durch schonende Sprengungen wird eine Ausgasung und Entwässerung erreicht, wobei ein Setzungsfließen durch die erdfeuchte Deckschicht mithilfe von Perforationen blockiert wird. Die Entwicklung von Sandbreizonen ist an der Fernfeldseismik erkennbar; das ermöglicht eine günstigere Anordnung von Sprengungen und Perforationen und unterstützt den Nachweis der Stabilisierung. So werden bereits rekultivierte Tagebaukippen in der Lausitz wieder nutzbar, die Innovationen sind aber nicht darauf begrenzt.

The notion Setzungsfließen (flow slide) denotes a landslide in partly flooded loose sand with slopes or terraces due to liquefaction below a humid cover. Mechanical perturbations raise the pore water pressure and trigger a chain reaction wherein parts of the humid cover flow sideways upon an increasing quicksand zone, until the moving mass is jammed below – if occasion arises under water – and above in an en‐échelon rupture. Thus surges arise in open water driven rapidly by the slope. A loose flooded grain fabric is more prone to liquefaction with gas‐filled macropores. The collapse of the grain fabric into quicksand in spontaneously prograding fronts generates seismic waves which are observable kilometers away. Gas and water rise behind the front and drag off grains. De‐gassing and ‐watering is achieved by gentle blasting, during which a flow slide is blocked through the humid cover with the aid of perforations. The evolution of quicksand zones is recognizable from the far‐field seismicity, this enables a favourable array of explosives and perforations and supports the proof of stabilization. Thus recultivated lignite mining deposits in Lusatia/Germany can be used again, but the innovations are not confined to such cases.
The Lise Meitner‐Minerva Center for Computational Quantum Chemistry: 18 Years of Israeli‐German Collaboration
Authors: Shaik Sason , Karni Miri , Danovich David , Apeloig Yitzhak
Published: December 2015

We tell the story of the Lise Meitner‐Minerva Center, its establishment and activities, its members and their scientific activity, and its instrumental role in weaving intense relationships with the theoretical community in Germany, and in amalgamating the Israeli community of computational quantum chemistry into a national center that enjoys a high international reputation.
Anaplerotic Accumulation of Tricarboxylic Acid Cycle Intermediates as Well as Changes in Other Key Metabolites During Heterotopic Ossification
Authors: Davis Eleanor L. , Salisbury Elizabeth A. , Olmsted‐Davis Elizabeth , Davis Alan R.
Published: December 2015

Heterotopic ossification (HO) is the de novo formation of bone that occurs in soft tissue, through recruitment, expansion, and differentiation of multiple cells types including transient brown adipocytes, osteoblasts, chondrocytes, mast cells, and platelets to name a few. Much evidence is accumulating that suggests changes in metabolism may be required to accomplish this bone formation. Recent work using a mouse model of heterotopic bone formation reliant on delivery of adenovirus‐transduced cells expressing low levels of BMP2 showed the immediate expansion of a unique brown adipocyte‐like cell. These cells are undergoing robust uncoupled oxidative phosphorylation to a level such that oxygen in the microenvironment is dramatically lowered creating areas of hypoxia. It is unclear how these oxygen changes ultimately affect metabolism and bone formation. To identify the processes and changes occurring over the course of bone formation, HO was established in the mice, and tissues isolated at early and late times were subjected to a global metabolomic screen. Results show that there are significant changes in both glucose levels, as well as TCA cycle intermediates. Additionally, metabolites necessary for oxidation of stored lipids were also found to be significantly elevated. The complete results of this screen are presented here, and provide a unique picture of the metabolic changes occurring during heterotopic bone formation. J. Cell. Biochem. 117: 1044–1053, 2016. © 2015 The Authors. Journal of Cellular Biochemistry Published by Wiley Periodicals, Inc.
IL‐1α Counteract TGF‐β Regulated Genes and Pathways in Human Fibroblasts
Authors: Koskela von Sydow Anita , Janbaz Chris , Kardeby Caroline , Repsilber Dirk , Ivarsson Mikael
Published: December 2015

Dysregulated wound healing is commonly associated with excessive fibrosis. Connective tissue growth factor (CTGF/CCN2) is characteristically overexpressed in fibrotic diseases and stimulated by transforming growth factor‐β (TGF‐β) in dermal fibroblasts. We previously showed that interleukin‐1 (IL‐1α) counteracts TGF‐β‐stimulated CTGF mRNA and protein expression in these cells. The aim of this study was to explore the effects of IL‐1α on further genes and pathways in TGF‐β regulated fibroblasts. Transcriptional microarray and multiple comparison analysis showed that the antagonizing effects of IL‐1α was much more prominent than the synergistic effects, both with respect to number of genes and extent of changes in gene expression. Moreover, comparing canonical pathways by gene set enrichment analysis and the Ingenuity Pathway Analysis tool revealed that IL‐1α counteracted TGF‐β in the top six most confident pathways regulated by both cytokines. Interferon and IL‐1 signaling, as well as two pathways involved in apoptosis signaling were suppressed by TGF‐β and activated by IL‐1α. Pathways involving actin remodeling and focal adhesion dynamics were activated by TGF‐β and suppressed by IL‐1α. Analyzing upstream regulators in part corroborate the comparison of canonical pathways and added cell cycle regulators as another functional group regulated by IL‐1α. Finally, gene set enrichment analysis of fibrosis‐related genes indicated that IL‐1 moderately counteracts the collective effect of TGF‐β on these genes. Microarray results were validated by qPCR. Taken together, the results indicate prominent antagonistic effects of IL‐1α on TGF‐β regulated interferon signaling, as well as on a wide variety of other genes and pathways in fibroblasts. J. Cell. Biochem. 117: 1622–1632, 2016. © 2015 Wiley Periodicals, Inc.
Penetration of resin‐based materials into initial erosion lesion: A confocal microscopic study
Authors: Ionta Franciny Querobim , Boteon Ana Paula , Moretto Marcelo Juliano , Júnior Odair Bim , Honório Heitor Marques , Silva Thiago Cruvinel , Wang Linda , Rios Daniela
Published: December 2015

The application of resin‐based materials is an alternative of treatment for eroded lesions. Nevertheless, there are no studies about the penetration of these materials into eroded lesion, which might affect its adhesion. Therefore, this study evaluated the penetration of four resin‐based materials, with and without enamel etching. By using an in vitro protocol, types of treatment were studied at five levels (AdheSE®, Tetric N‐Bond®, Single Bond 2®, Helioseal Clear®, Icon®) and types of enamel etching in two levels (with and without). Materials were stained with 0.02 mg/mL ethanolic solution of tetramethylrhodamine isothiocyanate. Bovine enamel samples (4 × 4 mm) were immersed in 0.01 M HCl, pH 2.3, for 30 seconds to produce initial eroded lesions. Afterward, the materials were applied on half of sample enamel surface following the manufacturer's instructions. On the other half of sample, the materials were applied without etching the enamel. Materials penetration into the enamel was assessed by Confocal Laser Scanning Microscopy on reflection and fluorescence modes. The penetration depth (PD) was measured using ImageJ software. Data were analyzed by two‐way ANOVA and Tukey test (P < 0.05). Regardless of the material, etched enamel resulted in higher PD than non‐etched (P < 0.05). Icon® showed the highest PD in enamel followed by Helioseal Clear® (P < 0.05), with significant difference between them (P < 0.05) and no difference was found among AdheSE®, Tetric N‐Bond®, and Single Bond 2® (P > 0.05). It can be concluded that prior enamel etching increased the materials penetration into eroded enamel and the Icon®—infiltrant presented highest penetration. Microsc. Res. Tech. 79:72–80, 2016. © 2015 Wiley Periodicals, Inc.