bluuebunny/crossref_metadata_2025 huggingface dataset:
The Double Axe in Prehistoric Europe
Authors: Hawkes C. F. C.
Published: October 2013

One of Professor Myres's outstanding activities within the present decade has been in the re-founding of the old tradition of International Congresses in prehistoric archaeology and in anthropology. Prehistorians of many lands have cause to be grateful for the facilities thus afforded them for getting to know one another better, and for the interchange of facts and ideas, and never more so than when the subject has been one to which Professor Myres himself has contributed. Those subjects are notoriously many, but from the International Congress of Prehistoric and Protohistoric Sciences held at Oslo in 1936—the second of the new series—I recall with especial vividness his contribution, following those of Professors Childe and Menghin, to the discussion on the paper read by Mr. R. W. Hutchinson on Aegean Battle-axes. And it is a great pleasure to be able to turn to my notes—such as they were—of what he said that morning, as a startingpoint for my brief tribute in this volume to the inspiration of his manysided genius.
Disques Solaires mis au jour aux Fouilles d'Alaca-Höyük
Authors: Koşay Hamît Zübeyr
Published: October 2013

En ma qualité de membre de la Société d'Histoire Turque, j'ai assumé la direction des fouilles exécutées depuis 1935 à Alaca-Höyük, au nom et par ordre de ladite Société. Quiconque désire suivre la marche générale de ces travaux, pourra puiser tous renseignements utiles dans nos rapports détaillés y afférents. Les rapports concernant les travaux effectués en 1935 et 1936 ont déjà paru. Celui destiné à faire connaître les résultats importants de l'année 1937, 1938 et 1939 est en préparation.
J. L. M.
Authors: Minns Ellis H.
Published: October 2013

Wondering what I could offer to J. L. M. I began to think about the very letters J. L. M.; perhaps I might have something to say about them. Saint Paul would not have the hardihood to call them φαῦλα καὶ πτωχὰστοιχεῖα seeing that they stand for the most forcible personality of our generation in our study of the ancient world.

How did J get its tail? and that phonetic difference from I into which Romance speech has brought such confusion that for every language one must learn separately what value to give it? Once the practical Greek had substituted for the Semitic picture of a hand with its value yod a simple stroke denoting a vowel, all would seem straightforward.
Preclassical Greece—A Survey
Authors: Blegen Carl W.
Published: October 2013

Four score years have passed since archaeological research began to occupy itself with the preclassical age of Greek lands; and this is perhaps an appropriate moment to cast a brief appraising glance at what has been accomplished and what remains still to be done. It is an especially fitting subject in this volume of studies issued in honour of Professor Alan J. B. Wace, who has himself played so large a part in the task of uncovering and interpreting the early remains on the mainland of Greece. This long span of eight decades might be divided into two almost equal stages, that of pioneering exploration and discovery, and that of re-examination, more detailed research and synthesis.
Gold Ornaments from Crete and Ithaca
Authors: Robertson Martin
Published: October 2013

In BSA XLIII (1948), 121, G4 (pl. 46), I published a fragment of gold ornament from the votive deposit at Aetos in Ithaca. I described it as a pendant, but was unable to adduce any real parallel. Comparison with a complete object illustrated in BSA XLIX (1954), pl. 27, 1, shows that it is a snake-head finial from one of a pair of chains (or possibly one of a pair of such finials from a single longer chain) which supported a pendant. The broken end of the hook or ring on which the pendant hung is preserved under the snake's chin, and can be seen in the illustration.

The complete piece, excavated at Khaniale Tekke (Knossos) by R. W. Hutchinson and published by him, loc. cit. 216 f., formed part of a sealed cache, buried in a small pot in the floor of a tomb. Technically the work goes closely with that of another pendant from the same cache (loc. cit., pl. 27, 2), which on stylistic grounds appears, as Mr. Hutchinson points out, to be Cretan of the early or mid-seventh century B.C. The highly stylised snake-head from Aetos is more elaborate than those of the Khaniale Tekke chains, but extremely like them and quite unlike anything else. The treatment of the ‘necks’ is exceedingly similar, and is paralleled in the top bar of the pendant carried by the Khaniale Tekke snakes. The ornament from which the Ithaca piece is broken must certainly have been of the same period as the example from Khaniale Tekke, and quite possibly was also of Cretan origin.
Part VI. Three Geometric Tombs
Authors: Desborough V. R. d'A.
Published: October 2013

During the excavations at Mycenae in 1953, a Protogeometric cist burial was discovered in the House of Shields, sunk into the floor of its west room. This burial, numbered Tomb PG 601, was published, with other burials, in BSA XLIX 258 ff. In the summer of 1954 Professor Wace uncovered three further burials in the House of Shields. These, at his most kind invitation, I publish here.

General situation (Fig. 1). Whereas tomb PG 601 was found at the southern end of the west room of the House of Shields, these three, here numbered 602, 603, and 604, appeared in the north-western corner of this same room. Only a few feet separate the one from the others, as will be clear from the plan, and 602 and 603 seem to have been placed under the shelter of the west wall. The area had been to a certain extent disturbed, but whether there may have been further burials between 601 and this group of three I cannot tell. None was found in the excavation.
Correlated SEM, FIB-SEM, TEM, and NanoSIMS Imaging of Microbes from the Hindgut of a Lower Termite: Methods forIn SituFunctional and Ecological Studies of Uncultivable Microbes
Authors: Carpenter Kevin J. , Weber Peter K. , Davisson M. Lee , Pett-Ridge Jennifer , Haverty Michael I. , Keeling Patrick J.
Published: October 2013

The hindguts of lower termites harbor highly diverse, endemic communities of symbiotic protists, bacteria, and archaea essential to the termite's ability to digest wood. Despite over a century of experimental studies, ecological roles of many of these microbes are unknown, partly because almost none can be cultivated. Many of the protists associate with bacterial symbionts, but hypotheses for their respective roles in nutrient exchange are based on genomes of only two such bacteria. To show how the ecological roles of protists and nutrient transfer with symbiotic bacteria can be elucidated by direct imaging, we combined stable isotope labeling (13C-cellulose) of live termites with analysis of fixed hindgut microbes using correlated scanning electron microscopy, focused ion beam-scanning electron microscopy (FIB-SEM), transmission electron microscopy, and high resolution imaging mass spectrometry (NanoSIMS). We developed methods to prepare whole labeled cells on solid substrates, whole labeled cells milled with a FIB-SEM instrument to reveal cell interiors, and ultramicrotome sections of labeled cells for NanoSIMS imaging of13C enrichment in protists and associated bacteria. Our results show these methods have the potential to provide direct evidence for nutrient flow and suggest the oxymonad protistOxymonas dimorphaphagocytoses and enzymatically degrades ingested wood fragments, and may transfer carbon derived from this to its surface bacterial symbionts.
Multidimensionale Erfassung von Kompetenzen im Klassenmanagement: Konstruktion und Validierung eines Beobachter- und eines Schülerfragebogens für die Sekundarstufe 1*
Authors: Piwowar Valentina
Published: October 2013

Klassenmanagement gilt als zentrales Merkmal guten Unterrichts. Psychometrisch zufriedenstellende Instrumente, die eine differenzierte Erfassung von Kompetenzen im Klassenmanagement ermöglichen, sind im deutschen Sprachraum bislang jedoch kaum etabliert. Die vorliegende Arbeit stellt einen Beobachter- und einen Schülerfragebogen zur mehrdimensionalen Erfassung von Klassenmanagement vor, die in einer Gelegenheitsstichprobe von 88 Sekundarschullehrkräften (und deren 1811 Schüler) implementiert wurden. Sowohl hinsichtlich verschiedener Reliabilitätsmaße als auch in ersten Validierungsanalysen konnten gute bis sehr gute Testeigenschaften der Instrumente nachgewiesen werden; es zeigten sich Zusammenhänge mit dem Störverhalten und der Beteiligung von Schülern. Explorative Faktorenanalysen extrahierten fünf von neun theoretisch abgeleiteten Klassenmanagementstrategien im individuellen Schülerurteil, die übrigen vier Strategien fielen zu zwei Faktoren zusammen. In der geteilten Wahrnehmung wurden drei übergeordnete Dimensionen differenziert. In weiterführenden Studien sollten die Sensitivität und prädiktive Validität der Instrumente überprüft werden.
Urocortin 2 is associated with abdominal aortic aneurysm and mediates anti-proliferative effects on vascular smooth muscle cells via corticotrophin releasing factor receptor 2
Authors: Emeto Theophilus I. , Moxon Joseph V. , Biros Erik , Rush Catherine M. , Clancy Paula , Woodward Lynn , Moran Corey S. , Jose Roby J. , Nguyen Tam , Walker Philip J. , Golledge Jonathan
Published: October 2013

AAA (abdominal aortic aneurysm) is an important cause of sudden death in older adults, but there is no current effective drug therapy for this disease. The UCNs (urocortins1–3) and their receptors: CRFR (corticotrophin-releasing factor receptor)-1 and -2 have been implicated in various CVDs (cardiovascular diseases). We assessed the relative expression of UCN1–3 in AAA by qRT-PCR (quantitative reverse transcription–PCR) and ELISA, and examined in vitro how UCN2 affects human aortic VSMC (vascular smooth muscle cell) Akt phosphorylation, pro-inflammatory cytokine IL (interleukin)-6 secretion, proliferation, cell cycle and apoptosis. UCN2 and CRFR2 expression were significantly up-regulated in biopsies from the AAA body. AAA body biopsies released high amounts of UCN2 in vitro. Median plasma UCN2 concentrations were 2.20 ng/ml (interquartile range 1.14–4.55 ng/ml, n=67) in AAA patients and 1.11 ng/ml (interquartile range 0.76–2.55 ng/ml, n=67) in patients with non-aneurysmal PAD (peripheral artery disease) (P=0.001). Patients with UCN2 in the highest quartile had a 4.12-fold (95% confidence interval, 1.37–12.40) greater prevalence of AAA independent of other risk factors, P=0.012. In vitro, UCN2 significantly inhibited VSMC Akt phosphorylation and proliferation in a dose-dependent manner. UCN2 induced VSMC G1 cell-cycle arrest and increased IL-6 secretion over 24 h. The CRFR2 antagonist astressin-2B significantly abrogated the effects of UCN2 on VSMCs. In conclusion, UCN2 is significantly associated with AAA and inhibits VSMC proliferation by inducing a G1 cell cycle arrest suggesting a plausible regulatory role in AAA pathogenesis.
Reading Skills of Students With Speech Sound Disorders at Three Stages of Literacy Development
Authors: Skebo Crysten M. , Lewis Barbara A. , Freebairn Lisa A. , Tag Jessica , Avrich Ciesla Allison , Stein Catherine M.
Published: October 2013

Purpose

The relationship between phonological awareness, overall language, vocabulary, and nonlinguistic cognitive skills to decoding and reading comprehension was examined for students at 3 stages of literacy development (i.e., early elementary school, middle school, and high school). Students with histories of speech sound disorders (SSD) with and without language impairment (LI) were compared to students without histories of SSD or LI (typical language; TL).

Method

In a cross-sectional design, students ages 7;0 (years;months) to 17;9 completed tests that measured reading, language, and nonlinguistic cognitive skills.

Results

For the TL group, phonological awareness predicted decoding at early elementary school, and overall language predicted reading comprehension at early elementary school and both decoding and reading comprehension at middle school and high school. For the SSD-only group, vocabulary predicted both decoding and reading comprehension at early elementary school, and overall language predicted both decoding and reading comprehension at middle school and decoding at high school. For the SSD and LI group, overall language predicted decoding at all 3 literacy stages and reading comprehension at early elementary school and middle school, and vocabulary predicted reading comprehension at high school.

Conclusion

Although similar skills contribute to reading across the age span, the relative importance of these skills changes with children's literacy stages.
Inclined, collisional sediment transport
Authors: Berzi Diego , Fraccarollo Luigi
Published: October 2013

We apply the constitutive relations of kinetic theory of granular gases to the transport of cohesionless sediments driven by a gravitational liquid turbulent stream in steady uniform conditions. The sediment-laden flow forms self-equilibrated mechanisms of resistance at the bed surface, below which the sediments are at rest. This geo-physical process takes place quite often in streams at moderate slope and may be interpreted through tools common to fluid mechanics and particle physics. Taking into account the viscous dissipation of the fluctuation energy of the particles, and using approximate methods of integration of the governing differential equations, permit to obtain a set of simple formulas for predicting how depths and flow rates adjust to the angle of inclination of the bed, without requiring additional tuning parameters besides the particle and fluid properties. The agreement with laboratory experiments performed with either plastic cylinders or gravel in water is remarkable. We also provide quantitative criteria to determine the range of validity of the theory, i.e., the values of the Shields number and the angle of inclination of the bed for which the particle stresses can be mostly ascribed to collisional exchange of momentum.
Thermal property microscopy with frequency domain thermoreflectance
Authors: Yang Jia , Maragliano Carlo , Schmidt Aaron J.
Published: October 2013

A thermal property microscopy technique based on frequency domain thermoreflectance (FDTR) is presented. In FDTR, a periodically modulated laser locally heats a sample while a second probe beam monitors the surface reflectivity, which is related to the thermal properties of the sample with an analytical model. Here, we extend FDTR into an imaging technique capable of producing micrometer-scale maps of several thermophysical properties simultaneously. Thermal phase images are recorded at multiple frequencies chosen for maximum sensitivity to thermal properties of interest according to a thermal model of the sample. The phase versus frequency curves are then fit point-by-point to obtain quantitative thermal property images of various combinations of thermal properties in multilayer samples, including the in-plane and cross-plane thermal conductivities, heat capacity, thermal interface conductance, and film thickness. An FDTR microscope based on two continuous-wave lasers is described, and a sensitivity analysis of the technique to different thermal properties is carried out. As a demonstration, we image ∼3 nm of patterned titanium under 100 nm of gold on a silicon substrate, and simultaneously create maps of the thermal interface conductance and substrate thermal conductivity. Results confirm the potential of our technique for imaging and quantifying thermal properties of buried layers, indicating its utility for mapping thermal properties in integrated circuits.
A combined photoelectron spectroscopy and ab initio study of the quasi-planar B24− cluster
Authors: Popov Ivan A. , Piazza Zachary A. , Li Wei-Li , Wang Lai-Sheng , Boldyrev Alexander I.
Published: October 2013

The structure and chemical bonding of the 24-atom boron cluster are investigated using photoelectron spectroscopy and ab initio calculations. The joint experimental and theoretical investigation shows that B24− possesses a quasi-planar structure containing fifteen outer and nine inner atoms with six of the inner atoms forming a filled pentagonal moiety. The central atom of the pentagonal moiety is puckered out of plane by 0.9 Å, reminiscent of the six-atom pentagonal caps of the well-known B12 icosahedral unit. The next closest isomer at the ROCCSD(T) level of theory has a tubular double-ring structure. Comparison of the simulated spectra with the experimental data shows that the global minimum quasi-planar B24− isomer is the major contributor to the observed photoelectron spectrum, while the tubular isomer has no contribution to the experiment. Chemical bonding analyses reveal that the periphery of the quasi-planar B24 constitutes 15 classical 2c-2e B-B σ-bonds, whereas delocalized σ- and π-bonds are found in the interior of the cluster with one unique 6c-2e π-bond responsible for bonding in the B-centered pentagon. The current work suggests that the 24-atom boron cluster continues to be quasi-2D, albeit the tendency to form filled pentagonal units, characteristic of 3D cage-like structures of bulk boron, is observed.
A study of pile-up in integrated time-correlated single photon counting systems
Authors: Arlt Jochen , Tyndall David , Rae Bruce R. , Li David D.-U. , Richardson Justin A. , Henderson Robert K.
Published: October 2013

Recent demonstration of highly integrated, solid-state, time-correlated single photon counting (TCSPC) systems in CMOS technology is set to provide significant increases in performance over existing bulky, expensive hardware. Arrays of single photon single photon avalanche diode (SPAD) detectors, timing channels, and signal processing can be integrated on a single silicon chip with a degree of parallelism and computational speed that is unattainable by discrete photomultiplier tube and photon counting card solutions. New multi-channel, multi-detector TCSPC sensor architectures with greatly enhanced throughput due to minimal detector transit (dead) time or timing channel dead time are now feasible. In this paper, we study the potential for future integrated, solid-state TCSPC sensors to exceed the photon pile-up limit through analytic formula and simulation. The results are validated using a 10% fill factor SPAD array and an 8-channel, 52 ps resolution time-to-digital conversion architecture with embedded lifetime estimation. It is demonstrated that pile-up insensitive acquisition is attainable at greater than 10 times the pulse repetition rate providing over 60 dB of extended dynamic range to the TCSPC technique. Our results predict future CMOS TCSPC sensors capable of live-cell transient observations in confocal scanning microscopy, improved resolution of near-infrared optical tomography systems, and fluorescence lifetime activated cell sorting.
Nanoscale characterization of FeNi alloys processed by high-pressure torsion using photoelectron emission microscope
Authors: Ohtsuki T. , Kotsugi M. , Ohkochi T. , Lee S. , Horita Z. , Takanashi K.
Published: October 2013

Photoelectron emission microscopy observation is performed on an FeNi alloy processed by high-pressure torsion (HPT) in order to microscopically analyze magnetic domain structure, elemental distribution, and surface morphology. While belt-like magnetic domain structures with widths of 3 to 5 μm are observed at about 2 mm away from the sample disc center, only narrower magnetic domain structure is observed at 1 mm away from the disc center. While these magnetic domain structures are related to a product during the HPT process, they are related neither to inhomogeneity of elemental distribution nor to surface morphology. Therefore, it is suggested that the observed magnetic domains should be originated from an L10 phase. The present analysis indicates that atomic diffusion is significantly enhanced by processing the samples with HPT and post-annealing.
Volumetric apparatus for hydrogen adsorption and diffusion measurements: Sources of systematic error and impact of their experimental resolutions
Authors: Policicchio Alfonso , Maccallini Enrico , Kalantzopoulos Georgios N. , Cataldi Ugo , Abate Salvatore , Desiderio Giovanni , Agostino Raffaele Giuseppe
Published: October 2013

The development of a volumetric apparatus (also known as a Sieverts’ apparatus) for accurate and reliable hydrogen adsorption measurement is shown. The instrument minimizes the sources of systematic errors which are mainly due to inner volume calibration, stability and uniformity of the temperatures, precise evaluation of the skeletal volume of the measured samples, and thermodynamical properties of the gas species. A series of hardware and software solutions were designed and introduced in the apparatus, which we will indicate as f-PcT, in order to deal with these aspects. The results are represented in terms of an accurate evaluation of the equilibrium and dynamical characteristics of the molecular hydrogen adsorption on two well-known porous media. The contribution of each experimental solution to the error propagation of the adsorbed moles is assessed. The developed volumetric apparatus for gas storage capacity measurements allows an accurate evaluation over a 4 order-of-magnitude pressure range (from 1 kPa to 8 MPa) and in temperatures ranging between 77 K and 470 K. The acquired results are in good agreement with the values reported in the literature.
Mathematical model of an air-filled alpha stirling refrigerator
Authors: McFarlane Patrick , Semperlotti Fabio , Sen Mihir
Published: October 2013

This work develops a mathematical model for an alpha Stirling refrigerator with air as the working fluid and will be useful in optimizing the mechanical design of these machines. Two pistons cyclically compress and expand air while moving sinusoidally in separate chambers connected by a regenerator, thus creating a temperature difference across the system. A complete non-linear mathematical model of the machine, including air thermodynamics, and heat transfer from the walls, as well as heat transfer and fluid resistance in the regenerator, is developed. Non-dimensional groups are derived, and the mathematical model is numerically solved. The heat transfer and work are found for both chambers, and the coefficient of performance of each chamber is calculated. Important design parameters are varied and their effect on refrigerator performance determined. This sensitivity analysis, which shows what the significant parameters are, is a useful tool for the design of practical Stirling refrigeration systems.
Toward fully flexible multilayer moisture-barriers for organic light-emitting diodes
Authors: Seo Seung-Woo , Jung Eun , Joon Seo Sang , Chae Heeyeop , Kyoon Chung Ho , Min Cho Sung
Published: October 2013

Flexible organic light-emitting diodes require flexible thin-film encapsulation to ensure both a long lifetime and flexibility of the device. Although an aluminum oxide layer grown by atomic layer deposition can protect the device from oxidative species, such as moisture, it does not provide sufficient flexibility for a flexible device. Thus, organic-inorganic multilayer structures were prepared and tested for both the moisture-barrier property and flexibility to achieve fully flexible thin-film encapsulation for organic light-emitting diodes. The flexible thin-film encapsulation developed in this study resulted in an initial water vapor transmission rate of 3 × 10−4 g/m2/day that decreased by only 10% even after a 10 000 severe bending cycles at a bending radius of 0.3 cm. This result was possible by reducing the thickness of the aluminum-oxide sub-layer as low as possible down to only 1 cycle of atomic layer deposition and placing it in a neutral stress plane. Theoretical estimations of tensile strain supported the experimental results.
Effect of in-situ application of ultrasonic waves during formation of silver nanoparticles embedded in phospholipid membrane
Authors: Kim Yongdeok , Hwan An Hyeun , Bae Han Won , Kim Hee-Soo , Jun Kim Suk , Seung Yoon Chong
Published: October 2013

Effect of in-situ application of ultrasonic waves (up to 1 MHz) on the Ag nanoparticles spontaneously produced inside the 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine (DOPE) membrane by thermal evaporation of Ag was studied by placing the membrane on a ultrasonic transducer during the metal deposition. Application of the ultrasonic vibration promoted spatial ordering of the deposited nanoparticles due to the induced phase transition from Lα to HII for DOPE. Arising from the agitation effect, particle size refinement, which depended on the amplitude of the ultrasonic vibration, was observed. It was also shown that a stiff gel state 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) membrane can be made locally permeable to incident Ag atoms by introducing DOPE molecules into the DPPC membrane as the Ag nanoparticles preferentially nucleated in the DOPE-rich region. Application of ultrasonic vibration with increasingly higher amplitude or frequency made the Ag nanoparticles uniformly distributed in the DPPC, suggesting that the permeability of the DPPC membrane can be temporarily increased without permanently damaging the membrane by addition of liquid crystalline lipids and subsequent application of ultrasonic waves.
Effect of oxygen stoichiometry on the insulator-metal phase transition in vanadium oxide thin films studied using optical pump-terahertz probe spectroscopy
Authors: Liu H. W. , Wong L. M. , Wang S. J. , Tang S. H. , Zhang X. H.
Published: October 2013

Using optical pump-terahertz probe spectroscopy, we studied the dynamic behaviors of photoinduced insulator-metal phase transition in vanadium oxide thin films with different oxygen stoichiometry. We found that the insulator-metal phase transition of vanadium dioxide is very sensitive to oxygen stoichiometry: the increased oxygen content in vanadium oxide will reduce the magnitude of phase transition and change the dynamics of the phase transition. The transient complex photoconductivity of vanadium oxide thin films is investigated and analyzed with Drude-Smith model, supplying insight of the dynamic process of phase transition in vanadium oxide thin films.
Dynamic compression of elastic and plastic cellular solids
Authors: Box F. , Bowman R. , Mullin T.
Published: October 2013

We report the results of an experimental investigation into buckling in elastic and plastic cellular materials under dynamic compression. The buckling instabilities are in the form of a global pattern switch where the square array of circular holes is transformed into a set of orthogonal ellipses. Properties of the instabilities in the elastic and plastic cellular materials are compared and contrasted. The case of the elastic structure is considered as a delayed pitchfork bifurcation. On the other hand, the response of the plastic lattice is complex, and an irreversible global instability is only found above a critical compression rate.
Multi-mode parametric coupling in an electromechanical resonator
Authors: Mahboob I. , Nier V. , Nishiguchi K. , Fujiwara A. , Yamaguchi H.
Published: October 2013

Parametric coupling between multiple vibration modes in an electromechanical resonator is demonstrated via a strain inducing piezoelectric pump which enables construction of a mechanical-vibration register. In particular, the coupling between the flexural and torsional vibration modes can exceed their intrinsic dissipation rates enabling operation deep into the strong-coupling regime. The dynamic nature of this parametric coupling also permits temporal manipulation of the mechanical-vibration register enabling both long-lived modes to be rapidly switched off and phonon populations to be coherently exchanged between modes.
Communication: Phase behavior of materials with isotropic interactions designed by inverse strategies to favor diamond and simple cubic lattice ground states
Authors: Jain Avni , Errington Jeffrey R. , Truskett Thomas M.
Published: October 2013

We use molecular simulation to construct equilibrium phase diagrams for two recently introduced model materials with isotropic, soft-repulsive pair interactions designed to favor diamond and simple cubic lattice ground states, respectively, over a wide range of densities [Jain et al., Soft Matter 9, 3866 (2013)]. We employ free energy based Monte Carlo simulation techniques to precisely trace the inter-crystal and fluid-crystal coexistence curves. We find that both model materials display rich polymorphic phase behavior featuring stable crystals corresponding to the target ground-state structures, as well as a variety of other crystalline (e.g., hexagonal and body-centered cubic) phases and multiple reentrant melting transitions.
Computational population biology: linking the inner and outer worlds of organisms
Authors: Getz Wayne M.
Published: October 2013

Computationally complex systems models are needed to advance research and implement policy in theoretical and applied population biology. Difference and differential equations used to build lumped dynamic models (LDMs) may have the advantage of clarity, but are limited in their inability to include fine-scale spatial information and individual-specific physical, physiological, immunological, neural and behavioral states. Current formulations of agent-based models (ABMs) are too idiosyncratic and freewheeling to provide a general, coherent framework for dynamically linking the inner and outer worlds of organisms. Here I propose principles for a general, modular, hierarchically scalable framework for building computational population models (CPMs) designed to treat the inner world of individual agents as complex dynamical systems that take information from their spatially detailed outer worlds to drive the dynamic inner worlds of these agents and simulate their ecology and the evolutionary pathways of their progeny. All the modeling elements are in place, although improvements in software technology will be helpful; but most of all we need a cultural shift in the way in which population biologists communicate and share model components and the models themselves and fit, test, refute and refine models, to make the progress needed to meet the ecosystems management challenges posed by global change biology.
Gastrointestinal Dysmotility in Rett Syndrome
Authors: Baikie Gordon , Ravikumara Madhur , Downs Jenny , Naseem Nusrat , Wong Kingsley , Percy Alan , Lane Jane , Weiss Batia , Ellaway Carolyn , Bathgate Katherine , Leonard Helen
Published: October 2013

Objectives:

Through evidence review and the consensus of an expert panel, we developed recommendations for the clinical management of gastroesophageal reflux disease, constipation, and abdominal bloating in Rett syndrome.

Methods:

Based on review of the literature and family concerns expressed on RettNet, initial draft recommendations were created. Wherein the literature was lacking, 25 open‐ended questions were included. Input from an international, multidisciplinary panel of clinicians was sought using a 2‐stage modified Delphi process to reach consensus agreement. Items related to the clinical assessment and management of gastroesophageal reflux disease, constipation, and abdominal bloating.

Results:

Consensus was achieved on 78 of 85 statements. A comprehensive approach to the assessment of gastroesophageal reflux and reflux disease, constipation, and abdominal bloating was recommended, taking into account impairment of communication skills in Rett syndrome. A stepwise approach to the management was identified with initial use of conservative strategies, escalating to pharmacological measures and surgery, if necessary.

Conclusions:

Gastrointestinal dysmotility occurs commonly in Rett syndrome. These evidence‐ and consensus‐based recommendations have the potential to improve care of dysmotility issues in a rare condition and stimulate research to improve the present limited evidence base.
Exploiting the bad eating habits of Ras-driven cancers
Authors: White Eileen
Published: October 2013

Oncogenic Ras promotes glucose fermentation and glutamine use to supply central carbon metabolism, but how and why have only emerged recently. Ras-mediated metabolic reprogramming generates building blocks for growth and promotes antioxidant defense. To fuel metabolic pathways, Ras scavenges extracellular proteins and lipids. To bolster metabolism and mitigate stress, Ras activates cellular self-cannibalization and recycling of proteins and organelles by autophagy. Targeting these distinct features of Ras-driven cancers provides novel approaches to cancer therapy.
A novel one-dimensional tubular cadmium(II) coordination polymer based on 5-(carboxylatomethoxy)benzene-1,3-dicarboxylate containing 4-aminopyridinium ions
Authors: Wang Peng , Zhao Ying , Chen Yong , Kou Xiao-Yan
Published: October 2013

A novel coordination polymer, poly[4-aminopyridinium [diaqua[μ3-5-(carboxylatomethoxy)benzene-1,3-dicarboxylato]cadmium(II)] dihydrate], {(C5H7N2)[Cd(C10H5O7)(H2O)2]·2H2O}nor {(HpAPy)[Cd(OABDC)(H2O)2]·2H2O}n[HpAPy is 4-aminopyridinium and H3OABDC is 5-(carboxymethoxy)benzene-1,3-dicarboxylic acid], was synthesized under hydrothermal conditions. Single-crystal analysis revealed that the anionic complex has a centrosymmetric one-dimensional tubular arrangement. The pyridine N atom of the 4-aminopyridine molecule is protonated and this cation balances the charge of the tubular anionic coordination polymer. Neighbouring tubes are crosslinked into a three-dimensional framework through multiple hydrogen bonds involving solvent water molecules and OABDC3−ligands.
The layered structure of poly[[hexaaqua(μ4-benzene-1,2,4,5-tetracarboxylato)dicopper(II)] tetrahydrate]
Authors: Cancino Patricio , Spodine Evgenia , Paredes-García Verónica , Venegas-Yazigi Diego , Vega Andrés
Published: October 2013

In the structure of the title compound, {[Cu2(C10H2O8)(H2O)6]·4H2O}n, the benzene-1,2,4,5-tetracarboxylate ligand, (btec)4−, is located on a crystallographic inversion centre in a μ4-coordination mode. The coordination environment of each pentacoordinated CuIIcentre is square pyramidal (SBP), formed by three water molecules and two carboxylate O atoms from two different (btec)4−ligands. The completely deprotonated (btec)4−ligand coordinates in a monodentate mode to four CuIIatoms. The alternation of (btec)4−ligands and SBP CuIIcentres leads to the formation of a planar two-dimensional covalent network of parallelograms, parallel to theabplane. Hydrogen bonds between a basal water molecule and an apical one from an adjacent [Cu(btec)0.5(H2O)3] unit exist in the intralayer space. Hydrogen bonds are also present between the two-dimensional network and the water molecules filling the channels in the structure.
Low-dimensional compounds containing cyanide groups. XXVI. (Dicyanamido-κN1)bis(5,5′-dimethyl-2,2′-bipyridine-κ2N,N′)copper(II) complexes with tetrafluoroborate and perchlorate anions
Authors: Potočňák Ivan , Burčák Milan , Dušek Michal
Published: October 2013

(Dicyanamido-κN1)bis(5,5′-dimethyl-2,2′-bipyridine-κ2N,N′)copper(II) tetrafluoroborate, [Cu{N(CN)2}(C12H12N2)2]BF4, (I), and (dicyanamido-κN1)bis(5,5′-dimethyl-2,2′-bipyridine-κ2N,N′)copper(II) perchlorate, [Cu{N(CN)2}(C12H12N2)2]ClO4, (II), are isomorphous and consist of [Cu{N(CN)2}(mbpy)2]+cations (mbpy is 5,5′-dimethyl-2,2′-bipyridine) and BF4−or ClO4−anions, respectively. The CuIIcations in both structures are five-coordinated in distorted trigonal bipyramidal environments by four N atoms of two mbpy ligands and one N atom of the dicyanamide anion, which is coordinated in a monodentate manner in the equatorial plane, with Cu—N distances of 1.980 (3) and 1.977 (2) Å in (I) and (II), respectively. The two axial Cu—Nmbpybonds have very similar values [1.986 (1) Å on average] and are shorter than the other two equatorial Cu—Nmbpybonds. These have different values in the individual compounds but nevertheless form two pairs of similar bonds in (I) and (II) [2.066 (8) and 2.112 (2) Å, respectively, on average]. Besides the ionic forces in both structures, the structures are stabilized by C—H...N and C—H...Xhydrogen bonds (X= F and O, respectively), and by π–π interactions between the pyridine rings of neighbouring mbpy molecules.
Different ZnIIcation coordination geometries in di-μ-acetato-bis{2-chloro-6-[(pyridine-2-ylmethylimino)methyl]phenol}dizinc(II) chloroform monosolvate
Authors: Kim Young-Inn , Lee Jin Young , Song Young-Kwang , Kang Sung Kwon
Published: October 2013

In the title compound, di-μ-acetato-κ2O:O;κ2O:O′-bis[(6-chloro-2-{(E)-[(pyridin-2-yl)methylimino]methyl}phenolato-κ3N,N′,O)zinc(II)], [Zn2(C13H10ClN2O)2(C2H3O2)2]·CHCl3, the ZnIIcation adopts a five-coordinate geometry and is coordinated by two N atoms and one O atom of a tridentate 6-chloro-2-{(E)-[(pyridin-2-yl)methylimino]methyl}phenolate ligand and two O atoms of two bridging acetate groups, but their coordination geometries differ. One ZnIIcation adopts a distorted trigonal bipyramidal geometry and the other a square-pyramidal geometry. The two acetate ligands bridge two ZnIIcations with mono- and bidentate coordination modes. The title compound exhibits a strong emission at 460 nm upon excitation at 325 nm with a quantum yield of 23.1%.
Structure determination of an 11-subunit exosome in complex with RNA by molecular replacement
Authors: Makino Debora Lika , Conti Elena
Published: October 2013

The RNA exosome is an evolutionarily conserved multi-protein complex involved in the 3′ degradation of a variety of RNA transcripts. In the nucleus, the exosome participates in the maturation of structured RNAs, in the surveillance of pre-mRNAs and in the decay of a variety of noncoding transcripts. In the cytoplasm, the exosome degrades mRNAs in constitutive and regulated turnover pathways. Several structures of subcomplexes of eukaryotic exosomes or related prokaryotic exosome-like complexes are known, but how the complete assembly is organized to fulfil processive RNA degradation has been unclear. An atomic snapshot of aSaccharomyces cerevisiae420 kDa exosome complex bound to an RNA substrate in the pre-cleavage state of a hydrolytic reaction has been determined. Here, the crystallographic steps towards the structural elucidation, which was carried out by molecular replacement, are presented.
Solving nucleic acid structures by molecular replacement: examples from group II intron studies
Authors: Marcia Marco , Humphris-Narayanan Elisabeth , Keating Kevin S. , Somarowthu Srinivas , Rajashankar Kanagalaghatta , Pyle Anna Marie
Published: October 2013

Structured RNA molecules are key players in ensuring cellular viability. It is now emerging that, like proteins, the functions of many nucleic acids are dictated by their tertiary folds. At the same time, the number of known crystal structures of nucleic acids is also increasing rapidly. In this context, molecular replacement will become an increasingly useful technique for phasing nucleic acid crystallographic data in the near future. Here, strategies to select, create and refine molecular-replacement search models for nucleic acids are discussed. Using examples taken primarily from research on group II introns, it is shown that nucleic acids are amenable to different and potentially more flexible and sophisticated molecular-replacement searches than proteins. These observations specifically aim to encourage future crystallographic studies on the newly discovered repertoire of noncoding transcripts.
Improved estimates of coordinate error for molecular replacement
Authors: Oeffner Robert D. , Bunkóczi Gábor , McCoy Airlie J. , Read Randy J.
Published: October 2013

The estimate of the root-mean-square deviation (r.m.s.d.) in coordinates between the model and the target is an essential parameter for calibrating likelihood functions for molecular replacement (MR). Good estimates of the r.m.s.d. lead to good estimates of the variance term in the likelihood functions, which increases signal to noise and hence success rates in the MR search.Phaserhas hitherto used an estimate of the r.m.s.d. that only depends on the sequence identity between the model and target and which was not optimized for the MR likelihood functions. Variance-refinement functionality was added toPhaserto enable determination of the effective r.m.s.d. that optimized the log-likelihood gain (LLG) for a correct MR solution. Variance refinement was subsequently performed on a database of over 21 000 MR problems that sampled a range of sequence identities, protein sizes and protein fold classes. Success was monitored using the translation-functionZ-score (TFZ), where a TFZ of 8 or over for the top peak was found to be a reliable indicator that MR had succeeded for these cases with one molecule in the asymmetric unit. Good estimates of the r.m.s.d. are correlated with the sequence identity and the protein size. A new estimate of the r.m.s.d. that uses these two parameters in a function optimized to fit the mean of the refined variance is implemented inPhaserand improves MR outcomes. Perturbing the initial estimate of the r.m.s.d. from the mean of the distribution in steps of standard deviations of the distribution further increases MR success rates.
catena-Poly[[diaquabis(μ3-5-carboxylato-1H-pyrazole-3-carboxylic acid-κ3O3:O3;O5)dilithium(I)] monohydrate]
Authors: Starosta Wojciech , Leciejewicz Janusz
Published: October 2013

The basic structural unit of the title polymeric ribbon, {[Li2(C5H3N2O2)2(H2O)2]·H2O}n, is a centrosymmetric dinuclear complex in which the two LiIions are bridged by two carboxylato O atoms, to generate a centrosymmetric Li2O2core. These are connected into a chain along [01-1] by carboxylic acid–carbonyl-O bonds. The tetrahedral coordination of the LiIcation is completed by an aqua ligand. The carboxylic acid is involved in an intra-ribbon hydrogen bond. A solvate water molecule showing positional (50:50) disorder is observed. Polymeric ribbons along [01-1] are connected by O—H...O, N—H...O and O—H...N hydrogen bonds into a three-dimensional architecture.
Di-μ-acetato-κ4O:O′-bis[(1,10-phenanthroline-κ2N,N′)(trifluoromethanesulfonato-κO)copper(II)]
Authors: Wannarit Nanthawat , Pakawatchai Chaveng , Youngme Sujittra
Published: October 2013

The complete molecule of the title compound, [Cu2(C2H3O2)2(CF3O3S)2(C12H8N2)2], is completed by the application of a twofold rotation and comprises two CuIIions, each of which is pentacoordinated by two N atoms from a bidentate 1,10-phenanthroline (phen) ligand, two O atoms from acetate ligands and an O atom from a trifluoromethanesulfonate anion, forming a (4 + 1) distorted square-pyramidal coordination geometry. The CuIIions are connected by two acetate bridges in asyn–synconfiguration. The F atoms of the trifluoromethanesulfonate ligands are disordered, with site-occupation factors of 70 and 30. The molecular structure is stabilized by intramolecular face-to-face π–π interactions with centroid–centroid distances in the range 3.5654 (12)–3.8775(12) Å. The crystal structure is stabilized by C—H...O interactions, leading to a three-dimensional lattice structure.
Tetraquinolinium ditelluro(VI)octavanadate(V) octahydrate
Authors: Toumi Sirine , Toumi Samah Akriche , Rzaigui Mohamed
Published: October 2013

In the title compound, (C9H8N)4[Te2V8O28]·8H2O, the complete heteropolyanion is generated by a crystallographic inversion centre. One of the two quniolinium ions forms an N—H...Op(p = polyoxidometallate) hydrogen bond and the other an N—H...Ow(w = water) hydrogen bond. The water molecules further link the components by O—H...Opand O—H...Owhydrogen bonds. A number of C—H...O interactions and aromatic π–π stacking interactions [shortest centroid–centroid separation = 3.541 (7) Å] are also observed. Together, these generate a three-dimensional network.
catena-Poly[[bis(nitrato-κ2O,O′)barium]-bis(μ-L-histidine-κ3O,O′:O]
Authors: Arularasan P. , Chakkaravarthi G. , Mohan R.
Published: October 2013

In the polymeric title compound, [Ba(NO3)2(C6H9N3O2)2]n, the BaIIatom is located on a crystallographic twofold axis and is coordinated by ten O atoms. Six are derived from two zwitterionic L-histidine molecules that simultaneously chelate one BaIIatom and bridge to another. The remaining four O atoms are derived from two chelating nitrates. The molecules assemble to form a chain along [010]. In the crystal, chains are linkedviaN—H...O and N—H...N hydrogen bonds, generating a three-dimensional network.
Butane-1,4-diyl bis(benzenecarbodithioate)
Authors: Abe Daisuke , Sasanuma Yuji
Published: October 2013

The title compound, C18H18S4, which lies on an inversion center, adopts atrans–gauche+–trans–gauche−–trans(tg+tg−t) conformation of the S—CH2—CH2—CH2—CH2—S bond sequence. In the crystal, a π–π interaction with a centroid–centroid distance of 3.8797 (16) Å is observed.
Characterization of PCB routing process and optimization of tool design based on the investigation of routing temperature
Authors: Fu Lianyu , Wang Jian , Guo Qiang
Published: October 2013

Purpose

– The purpose of this paper is to provide the method and system to conduct online measurement and the characterization of temperature during printed circuit board (PCB) routing process as well as the optimization of router design based on the investigation of routing temperature.

Design/methodology/approach

– The background of this research is introduced first. Then the method to measure the routing temperature on-line by using an infrared camera is presented. The routing process is characterized by investigating the routing temperature. Tool design optimization is conducted based on the temperature in processing PCB with aluminum substrate. Finally the concluding remarks of this research are presented.

Findings

– The routing temperature can be accurately measured by an infrared camera. Routing temperature is sensitive to properties of PCB, types of router and routing parameters. Very high temperature is experienced if non-appropriate routers are used to process board with aluminum substrate. It is demonstrated by the experiments that two fluted tool, three fluted tool and coated tool with three flutes are suitable for aluminum substrate processing by considering the low temperature and the nice surface finish.

Originality/value

– The paper highlights the key points to measure the routing temperature on-line by an infrared camera and characterize the routing process and optimize the tool design by investigating the measured temperature as well.
Listeria infection inhibits IgE production in regional lymph nodes by suppressing chemotaxis of basophils to lymph nodes
Authors: Kanoh Makoto , Maruyama Saho , Asano Yoshihiro
Published: October 2013

Infection with Listeria induces a dominant shift to the Th1 immune response and inhibits the Th2 response. Papain is frequently utilized in animal models of allergies. Papain administration induces chemotaxis of basophils to regional lymph nodes (LNs) and production of interleukin (IL)‐4 by basophils, resulting in a Th2‐dominant status and increased IgE production in LNs. In this model, production of immunoglobulin (Ig) E by LN cells is primarily controlled by IL‐4 produced by basophils. Based on this model, it was postulated that Listeria monocytogenes (Lm) infection suppresses IgE production by LN cells. Therefore, the effects of Lm infection on a papain‐induced mouse model of allergies were investigated. Following s.c. injection of papain, basophils transiently migrated to draining LNs because of the effects of chemokine (C–C) motif ligand (CCL) 24 and secreted IL‐4, inducing a Th2 response. Lm infection blocked recruitment of basophils into the popliteal LNs by inhibiting CCL24 production. Papain‐induced class switch recombination (CSR) to IgE is inhibited by Lm infection, whereas CSR to IgG1 is not affected by the same treatment. Therefore, the CSR of IgG1 to IgE is basophil‐dependent, whereas the CSR of IgM to IgG1 is basophil‐independent. Hence, Lm infection suppresses CSR to IgE without affecting CSR to IgG1.