bluuebunny/crossref_metadata_2025_split huggingface dataset:
Testing the association between human mid‐facial morphology and climate using autosomal, mitochondrial, Y chromosomal polymorphisms and cranial non‐metrics
Authors: Evteev Andrej A. , Movsesian Alla A. 
Published: November 2015

ObjectivesTo figure out which and how many systems of genetic markers should be used to control for the effects of shared population history in studies examining the association between morphology and climate and to test cranial non‐metric traits as an additional source of neutral distances for such studies.Materials and MethodsWe employed three systems of genetic markers (mtDNA, Y‐chromosome and autosomal SNPs) and cranial non‐metrics to control for potential impact of population history on apparent associations between climatic variables and mid‐facial morphology found in a set of seven North Asian and one East Asian populations.ResultsA significant association between morphology and climate remained, independent of which of the four neutral distance matrices were used as a control. Matrices of neutral distances based on different systems of genetic markers show just one case of significant correlation among each other namely between the mtDNA and autosomal SNPs matrices. The correlation between the autosomal SNP and cranial non‐metrics matrices is also fairly high but does not reach significance.DiscussionA combination of several sources of genetic information could provide a more robust control for the effect of shared population history compared to just one type of markers since each of them has its own sources of bias and each provides a slightly different view of genetic relationships among the populations. Use of cranial non‐metrics in researches examining the association between morphology and climate appears promising as they produce results that are generally consistent with those obtained using genetic markers. Am J Phys Anthropol 159:517–522, 2016. © 2015 Wiley Periodicals, Inc.
Selektive Hemmung des Immunproteasoms durch strukturbasierte Wahl eines nichtkatalytischen Cysteins als Angriffspunkt
Authors: Dubiella Christian , Baur Regina , Cui Haissi , Huber Eva M. , Groll Michael 
Published: November 2015

AbstractKlinisch genutzte Proteasominhibitoren induzieren Zelltod durch die gleichzeitige Blockade des konstitutiven Proteasoms und des Immunproteasoms. Dagegen ist die selektive Hemmung des Immunproteasoms kaum zytotoxisch, und sie könnte Anwendung in der Modulation von chronischen Entzündungen und Autoimmunkrankheiten finden. Es wurden decarboxylierte Peptide entwickelt, die mittels eines α‐Chloracetamides in einer Seitengruppe gezielt ein nichtkatalytisches Cystein in der β5i‐Untereinheit des Immunproteasoms angreifen. Die so gesteigerte Isoformspezifität resultierte in verminderten zytotoxischen Nebenwirkungen und reduzierte die Produktion von inflammatorischen Zytokinen. Strukturbasierte Optimierung führte zu einer über 150‐fachen Selektivität für die Untereinheit β5i gegenüber β5c. Diese neue Verbindungsklasse bietet einen vielversprechenden Ansatz für die Entwicklung von potenziell antiinflammatorischen Inhibitoren, die selektiv das Immunproteasom hemmen.
A Filled‐Honeycomb‐Structured Crystal Formed by Self‐Assembly of a Janus Polyoxometalate–Silsesquioxane (POM–POSS) Co‐Cluster
Authors: Ma Chi , Wu Han , Huang Zi‐Han , Guo Ruo‐Hai , Hu Min‐Biao , Kübel Christian , Yan Li‐Tang , Wang Wei 
Published: November 2015

AbstractClusters with diverse structures and functions have been used to create novel cluster‐assembled materials (CAMs). Understanding their self‐assembly process is a prerequisite to optimize their structure and function. Herein, two kinds of unlike organo‐functionalized inorganic clusters are covalently linked by a short organic tether to form a dumbbell‐shaped Janus co‐cluster. In a mixed solvent of acetonitrile and water, it self‐assembles into a crystal with a honeycomb superstructure constructed by hexagonal close‐packed cylinders of the smaller cluster and an orderly arranged framework of the larger cluster. Reconstruction of these structural features via coarse‐grained molecular simulations demonstrates that the cluster crystallization and the nanoscale phase separation between the two incompatible clusters synergistically result in the unique nano‐architecture. Overall, this work opens up new opportunities for generating novel CAMs for advanced future applications.
Reversible Inhibitoren arretieren ClpP in einer definierten Konformation, die durch Bindung von ClpX aufgehoben wird
Authors: Pahl Axel , Lakemeyer Markus , Vielberg Marie‐Theres , Hackl Mathias W. , Vomacka Jan , Korotkov Vadim S. , Stein Martin L. , Fetzer Christian , Lorenz‐Baath Katrin , Richter Klaus , Waldmann Herbert , Groll Michael , Sieber Stephan A. 
Published: November 2015

AbstractDie caseinolytische Protease P ist ein wichtiger Regulator der Pathogenität von Staphylococcus aureus. Mithilfe eines Hochdurchsatz‐Screenings bezüglich der Inhibition der ClpP‐Peptidaseaktivität identifizierten wir den ersten nichtkovalenten Inhibitor dieser Enzymklasse. Die Cokristallisation der niedermolekularen Verbindung mit ClpP von S. aureus offenbarte einen neuen Bindungsmodus: Die Rotation des konservierten Prolinrests 125 arretiert ClpP in einer Konformation, in der die korrekte Ausrichtung der katalytischen Triade verhindert und damit die Peptidaseaktivität inhibiert wird. In Optimierungsstudien wurden Derivate entwickelt, die frühere ClpP‐Inhibitoren in ihrer Potenz übertreffen. Erstaunlicherweise wird die durch die Inhibitoren verursachte Blockade bei Bindung des Chaperons ClpX rückgängig gemacht. Die Verdrängung des Inhibitors durch mit ClpP assoziierte Chaperone stellt einen unvermuteten Regulationsmechanismus dar, der sich jedoch für die Entwicklung von ClpP‐Inhibitoren als entscheidend erweist.
Visualization of Vibrational Modes in Real Space by Tip‐Enhanced Non‐Resonant Raman Spectroscopy
Authors: Duan Sai , Tian Guangjun , Luo Yi 
Published: November 2015

AbstractWe present a general theory to model the spatially resolved non‐resonant Raman images of molecules. It is predicted that the vibrational motions of different Raman modes can be fully visualized in real space by tip‐enhanced non‐resonant Raman scattering. As an example, the non‐resonant Raman images of water clusters were simulated by combining the new theory and first‐principles calculations. Each individual normal mode gives rise its own distinct Raman image, which resembles the expected vibrational motions of the atoms very well. The characteristics of intermolecular vibrations in supermolecules could also be identified. The effects of the spatial distribution of the plasmon as well as nonlinear scattering processes were also addressed. Our study not only suggests a feasible approach to spatially visualize vibrational modes, but also provides new insights in the field of nonlinear plasmonic spectroscopy.
Triarylboron‐Based Fluorescent Organic Light‐Emitting Diodes with External Quantum Efficiencies Exceeding 20 %
Authors: Suzuki Katsuaki , Kubo Shosei , Shizu Katsuyuki , Fukushima Tatsuya , Wakamiya Atsushi , Murata Yasujiro , Adachi Chihaya , Kaji Hironori 
Published: November 2015

AbstractTriarylboron compounds have attracted much attention, and found wide use as functional materials because of their electron‐accepting properties arising from the vacant p orbitals on the boron atoms. In this study, we design and synthesize new donor–acceptor triarylboron emitters that show thermally activated delayed fluorescence. These emitters display sky‐blue to green emission and high photoluminescence quantum yields of 87–100 % in host matrices. Organic light‐emitting diodes using these emitting molecules as dopants exhibit high external quantum efficiencies of 14.0–22.8 %, which originate from efficient up‐conversion from triplet to singlet states and subsequent efficient radiative decay from singlet to ground states.
Polyboramines for Hydrogen Release: Polymers Containing Lewis Pairs in their Backbone
Authors: Ledoux Audrey , Larini Paolo , Boisson Christophe , Monteil Vincent , Raynaud Jean , Lacôte Emmanuel 
Published: November 2015

AbstractThe one‐step polycondensation of diamines and diboranes triggered by the in situ deprotonation of the diammonium salts and concomitant reduction of bisboronic acids leads to the assembly of polymer chains through multiple Lewis pairing in their backbone. These new polyboramines are dihydrogen reservoirs that can be used for the hydrogenation of imines and carbonyl compounds. They also display a unique dihydrogen thermal release profile that is a direct consequence of the insertion of the amine–borane linkages in the polymeric backbone.
Tetraalkylammonium Salts as Hydrogen‐Bonding Catalysts
Authors: Shirakawa Seiji , Liu Shiyao , Kaneko Shiho , Kumatabara Yusuke , Fukuda Airi , Omagari Yumi , Maruoka Keiji 
Published: November 2015

AbstractAlthough the hydrogen‐bonding ability of the α hydrogen atoms on tetraalkylammonium salts is often discussed with respect to phase‐transfer catalysts, catalysis that utilizes the hydrogen‐bond‐donor properties of tetraalkylammonium salts remains unknown. Herein, we demonstrate hydrogen‐bonding catalysis with newly designed tetraalkylammonium salt catalysts in Mannich‐type reactions. The structure and the hydrogen‐bonding ability of the new ammonium salts were investigated by X‐ray diffraction analysis and NMR titration studies.
Glycocalyx Engineering with a Recycling Glycopolymer that Increases Cell Survival In Vivo
Authors: Woods Elliot C. , Yee Nathan A. , Shen Jeff , Bertozzi Carolyn R. 
Published: November 2015

AbstractSynthetic glycopolymers that emulate cell‐surface mucins have been used to elucidate the role of mucin overexpression in cancer. However, because they are internalized within hours, these glycopolymers could not be employed to probe processes that occur on longer time scales. In this work, we tested a panel of glycopolymers bearing a variety of lipids to identify those that persist on cell membranes. Strikingly, we found that cholesterylamine (CholA) anchored glycopolymers are internalized into vesicles that serve as depots for delivery back to the cell surface, allowing for the display of cell‐surface glycopolymers for at least ten days, even while the cells are dividing. As with native mucins, the cell‐surface display of CholA‐anchored glycopolymers influenced the focal adhesion distribution. Furthermore, we show that these mimetics enhance the survival of nonmalignant cells in a zebrafish model of metastasis. CholA‐anchored glycopolymers therefore expand the application of glycocalyx engineering in glycobiology.
Inverting the G‐Tetrad Polarity of a G‐Quadruplex by Using Xanthine and 8‐Oxoguanine
Authors: Cheong Vee Vee , Lech Christopher Jacques , Heddi Brahim , Phan Anh Tuân 
Published: November 2015

AbstractG‐quadruplexes are four‐stranded nucleic acid structures that are built from consecutively stacked guanine tetrad (G‐tetrad) assemblies. The simultaneous incorporation of two guanine base lesions, xanthine (X) and 8‐oxoguanine (O), within a single G‐tetrad of a G‐quadruplex was recently shown to lead to the formation of a stable G⋅G⋅X⋅O tetrad. Herein, a judicious introduction of X and O into a human telomeric G‐quadruplex‐forming sequence is shown to reverse the hydrogen‐bond polarity of the modified G‐tetrad while preserving the original folding topology. The control exerted over G‐tetrad polarity by joint X⋅O modification will be valuable for the design and programming of G‐quadruplex structures and their properties.
Specificity of the Metalloregulator CueR for Monovalent Metal Ions: Possible Functional Role of a Coordinated Thiol?
Authors: Szunyogh Dániel , Szokolai Hajnalka , Thulstrup Peter W. , Larsen Flemming H. , Gyurcsik Béla , Christensen Niels Johan , Stachura Monika , Hemmingsen Lars , Jancsó Attila 
Published: November 2015

AbstractMetal‐ion‐responsive transcriptional regulators within the MerR family effectively discriminate between mono‐ and divalent metal ions. Herein we address the origin of the specificity of the CueR protein for monovalent metal ions. Several spectroscopic techniques were employed to study AgI, ZnII, and HgII binding to model systems encompassing the metal‐ion‐binding loop of CueR from E. coli and V. cholerae. In the presence of AgI, a conserved cysteine residue displays a pKa value for deprotonation of the thiol that is close to the physiological pH value. This property is only observed with the monovalent metal ion. Quantum chemically optimized structures of the CueR metal site with Cys 112 protonated demonstrate that the conserved Ser 77 backbone carbonyl oxygen atom from the other monomer of the homodimer is “pulled” towards the metal site. A common allosteric mechanism of the metalloregulatory members of the MerR family is proposed. For CueR, the mechanism relies on the protonation of Cys 112.
ZrO2‐Based Alternatives to Conventional Propane Dehydrogenation Catalysts: Active Sites, Design, and Performance
Authors: Otroshchenko Tatyana , Sokolov Sergey , Stoyanova Mariana , Kondratenko Vita A. , Rodemerck Uwe , Linke David , Kondratenko Evgenii V. 
Published: November 2015

AbstractNon‐oxidative dehydrogenation of propane to propene is an established large‐scale process that, however, faces challenges, particularly in catalyst development; these are the toxicity of chromium compounds, high cost of platinum, and catalyst durability. Herein, we describe the design of unconventional catalysts based on bulk materials with a certain defect structure, for example, ZrO2 promoted with other metal oxides. Comprehensive characterization supports the hypothesis that coordinatively unsaturated Zr cations are the active sites for propane dehydrogenation. Their concentration can be adjusted by varying the kind of ZrO2 promoter and/or supporting tiny amounts of hydrogenation‐active metal. Accordingly designed Cu(0.05 wt %)/ZrO2‐La2O3 showed industrially relevant activity and durability over ca. 240 h on stream in a series of 60 dehydrogenation and oxidative regeneration cycles between 550 and 625 °C.
Corrosion‐Mediated Self‐Assembly (CMSA): Direct Writing Towards Sculpturing of 3D Tunable Functional Nanostructures
Authors: Wang Jing , Ho Ghim Wei 
Published: November 2015

AbstractInexpensive and readily available metal foils have been extracted and sculptured into nanocomposites without the expense of applied energy. The unwanted corrosion phenomenon has been contrarily utilized to realize desirable 3D nanostructures through a corrosion‐mediated self‐assembly (CMSA) method, which is unattainable by conventional 2D patterning routes. By virtue of electrochemical dissolution/re‐deposition initiated by brass corrosion, ionic derivatives (Zn2+ and Cu2+) are continuously supplied and seized by etchant ions (PO43−) to self‐assemble into well‐defined nanocomposites. Beyond 3D geometry patterning, CMSA enables arbitrarily tailoring of structures and chemical compositions with in situ multiphase amalgamation of hybrid materials, which improves homogeneity and thus mitigates phase separation issues. Importantly, the CMSA technique is demonstrated on transition metals for functional photocatalytic applications.
The use of variotherm systems for microinjection molding
Authors: Su Quanliang , Zhang Nan , Gilchrist Michael D. 
Published: November 2015

ABSTRACTMicroinjection molding (μIM) is a fast‐developing technology which is used to produce polymeric microcomponents or components with micro/nanoscale features, such as are used in many fields including microfluidic diagnostics, microneedle drug delivery devices, microgears, and microswitches. The capabilities and performance of the microinjection molding process can be improved by incorporating a variotherm system. This leads to improved component quality, especially for high aspect ratio features. It can also help to increase the polymer flow path, improve feature replication, reduce residual stresses and molecular orientations, and also can eliminate weld lines. This article reviews the use of different variotherm systems in μIM, and describes how simulation of its use can provide insight when designing a mold cavity or a component with challenging microfeatures. The article highlights important problems, challenges and areas for further research. An increased understanding of these issues will provide opportunities to enhance further developments in the μIM process. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 42962.
Growth of silver nanowires on carbon fiber to produce hybrid/waterborne polyurethane composites with improved electrical properties
Authors: An Xiaoyun , Ma Jingjing , Wang Kai , Zhan Maosheng 
Published: November 2015

ABSTRACTOne dimensional silver nanowires (AgNWs) were grown on carbon fiber (CF) by a facile polyol method. Fourier transform infrared spectrometer (FTIR), laser Raman spectrometer (Raman), field‐emission scanning electron microscopy (FESEM), X ray diffraction instrument (XRD), energy dispersive spectrometer (EDS), and X‐ray photoelectron spectrometer (XPS) were carried out to reveal the structure, morphology, and formation mechanism of the CF‐AgNWs. It was found that AgNO3 concentration of 1.5 mM, reaction temperature of 160°C, and reaction time of 120 min were appropriate conditions for growth of AgNWs on CF. Moreover, a mechanism was suggested that the cysteamine on CF acted as nucleation centers for growth of silver nanoparticles and then small sized silver nanoparticles reduced from silver nitrate were grown on CF via the silver bonding to sulfur. Through an Ostwald ripening process, small sized silver nanoparticles were grown into larger particles. With the assistance of polyvinylpyrolidone (PVP), these larger particles were directed to grow in a definite direction to form nanowires. It was found that the resistance of CF‐AgNWs was decreased to 19.5 Ω, compared with that of CF (102.6 Ω) with the same quality. Thus, the CF‐AgNWs was added into waterborne polyurethane (WPU) to improve the electrical and dielectric properties of WPU. Results showed the WPU/CF‐AgNWs composite presented a lower percolation threshold than WPU/CF composite. When the content was 2.5 wt %, the volume resistivity of the WPU/CF‐AgNWs (1.90 × 104 Ω cm−1) was lower by approximately three orders of magnitude than that of WPU/CF (4.19 × 107 Ω cm−1). When the content was 2.5 wt %, the dielectric constant and dielectric loss of the WPU/CF‐AgNWs were improved to 15.24 and 0.21, which were 34.5 and 40.8% higher than that of WPU/CF. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43056.
Antimicrobial functionalization of poly(ethylene terephthalate) fabrics with waterborne N‐halamine epoxides
Authors: Cerkez Idris , Kocer H. B. , Worley S. D. , Broughton R. M. , Huang T. S. 
Published: November 2015

ABSTRACTA water dispersible terpolymer of [2‐(methacryloyloxy)ethyl]trimethylammonium chloride, glycidyl methacrylate and hydantoinyl acrylamide was synthesized and coated on poly(ethylene terephthalate) fabrics through a pad‐dry‐cure procedure. The coatings were rendered biocidal upon exposure to dilute household bleach solution. The halogenated fabrics exhibited great antimicrobial functionality with about six logs inactivation of S. aureus and E. coli O157:H7 within only two min of contact time. Moreover, the coatings were found to be very stable against repeated washings and UVA light exposure. It was shown that [2‐(methacryloyloxy)ethyl]trimethylammonium monomer is very useful in preparing waterborne N‐halamines which can impart rechargeable, effective, and stable antimicrobial coatings to poly(ethylene terephthalate) fabrics. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43088.
Dispersion polymerization of uniform cross‐linked polystyrene microspheres in butan‐1‐ol
Authors: Beal John H. L. , Xu Ying , Al‐Salim Najeh , Arnold W. Mike 
Published: November 2015

ABSTRACTButan‐1‐ol can be used as the solvent in the synthesis of poly(styrene‐co‐divinylbenzene‐co‐acrylic acid) microspheres by dispersion polymerization of a mixture of styrene, divinylbenzene (DVB), and acrylic acid (AA). Varying the proportion of the crosslinker DVB affects the size distribution and particle morphology profoundly, with 0.5–1.0% w/w producing spherical particles, whereas 2.0% w/w DVB produces irregular, concave morphologies. Varying the amount of AA from 5–7% w/w increases the average diameter of the spherical particles, whereas 9% w/w AA results in ovoid particles with dimpled surface morphology. In an optimized synthesis using 1.0% w/w DVB and 5% AA, uniform polymer microspheres with an average diameter of 0.8 µm and a coefficient of variation (CV) of diameter of 8.2% are produced. The use of a medium‐polarity solvent, such as butan‐1‐ol, as the solvent for dispersion polymerization will facilitate the incorporation of non‐polar moieties, such as organically‐passivated quantum dots, into the polymer during synthesis. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43103.
Microporous Polymers from a Carbazole‐Based Triptycene Monomer: Synthesis and Their Applications for Gas Uptake
Authors: Zhai Tian‐Long , Tan Liangxiao , Luo Yi , Liu Jun‐Min , Tan Bien , Yang Xiang‐Liang , Xu Hui‐Bi , Zhang Chun 
Published: November 2015

AbstractTwo kinds of novel organic microporous polymers TCPs (TCP‐A and TCP‐B) were prepared by two cost‐effective synthetic strategies from the monomer of tricarbazolyltriptycene (TCT). Their structure and properties were characterized by FT‐IR, solid 13C NMR, powder XRD, SEM, TEM, and gas absorption measurements. TCP‐B displayed a high surface area (1469 m2 g−1) and excellent H2 storage (1.70 wt % at 1 bar/77 K) and CO2 uptake abilities (16.1 wt % at 1 bar/273 K), which makes it a promising material for potential application in gas storage.
Simulations of accretion disks in pseudo‐complex General Relativity
Authors: Hess P. O. , Algalán B. M. , Schönenbach T. , Greiner W. 
Published: November 2015

AbstractAfter a summary on pseudo‐complex General Relativity (pc‐GR), circular orbits and stable orbits in general are discussed, including predictions compared to observations. Using a modified version of a model for accretions disks, presented by Page and Thorne in 1974, we apply the raytracing technique in order to simulate the appearance of an accretion disk as it should be observed in a detector. In pc‐GR we predict a dark ring near a very massive, rapidly rotating object. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
A proposal of quantization in flat space‐time with a minimal length present
Authors: Hess P.O. 
Published: November 2015

AbstractThe 4‐dimensional space‐time is extended to pseudo‐complex coordinates. Proposing the standard quantization rules in this extended space, the ones for the 4‐dimensional sub‐space acquire, as one solution, the commutation relations with non‐commuting coordinates. This demonstrates that the algebraic extension keeps the simple structure of Quantum Mechanics, while it also introduces an effective quite involved structure in the 4‐dimensional sub‐space. The first steps to pseudo‐complex Quantum Mechanics in 1‐dimension are outlined, awaiting still the interpretation of some new emerging structures. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Early Universe evolution in presence of magnetic fields
Authors: Delgado Gaspar I. , Pérez Martínez A. , Piccinelli G. , Sussman R. A. 
Published: November 2015

AbstractWe analyse the evolution of a magnetised Universe in a stage between the leptonic era and the beginning of the radiationdominated epoch using an anisotropic BianchiI model. In our description the cosmic fluid is made of primordial radiation, neutrinos, magnetic field, non‐interacting already decoupled dark matter (WIMPS), baryons, electrons, and positrons. The interaction of the field with the electron‐positron gas is taken into account, resulting in anisotropic equations of state for these constituents. Numerical simulations reveal some differences between the behaviour of magnetised BianchiI Universes and that of first order perturbations on an FLRW background. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)