bluuebunny/crossref_metadata_2025_split huggingface dataset:
Modern Developments in Multiphysics Materials Simulations
Authors: Neugebauer Jörg , Asta Mark 
Published: November 2008

AbstractThe rapid advance of theoretical/numerical methods coupled with the gain in computational power has opened in the past few years a novel route to perform complex materials simulations, with hitherto not achievable accuracy and predictive power. Specifically the combination of atomistic and fully parameter‐free ab initio methods with concepts of mesoscopic/macroscopic approaches such as thermo‐dynamics, kinetics, statistical or continuum mechanics, has allowed researchers to take into account the hierarchical character of realistic materials. Recent results have proved extremely successful in many areas of metal physics, semiconductor technology, thin film growth, novel magnetic layers etc.To provide a forum for internationally leading top experts working in the field of multiscale modeling, and to discuss recent developments of multiscale/multiphysics simulations, an interdisciplinary “Symposium Modern Developments in Multiphysics Materials Simulations” (SYMS) was organized at the Spring 2008 Meeting of the German Physical Society (DPG) in Berlin. This meeting was a joint symposium of three sections within the DPG – “Surface Science”, “Metal Physics” and “Semiconductor Physics” and consisted of two parts: A symposium of invited speakers and a session with contributed talks and posters. In both sessions the wide range of materials science questions that can be nowadays addressed by multiscale approaches was impressively demonstrated.Topics presented at the meeting covered a range of as diverse topics, including hydrogen storage, catalysis, solidification processes, molecular systems, tailoring alloys, engineering materials, and materials synthesis.A number of these contributions are published in this issue of pss as regular articles. Similar to the meeting, the topics cover a wide range of recent developments and demonstrate the versatility of modern multiscale approaches in addressing complex materials science topics. They range from the application of neural networks to predict ground state crystalline phases, of combining DFT with kMC to study epitaxial growth of semiconductors, to the application of ab initio techniques with mechanical engineering concepts to jump scales directly from the atomistic to the macroscopic scale. As organizers we thank pss for providing a forum to present these papers. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Interactions of mitoxantrone with duplex and triplex DNA studied by electrospray ionization mass spectrometry
Authors: Wan Cuihong , Guo Xinhua , Song Fengrui , Liu Zhiqiang , Liu Shuying 
Published: November 2008

AbstractWe have examined interactions between mitoxantrone (MXT) and DNA duplexes or triplexes with different base compositions by using electrospray ionization mass spectrometry (ESI‐MS), respectively. MXT interacts preferentially with DNA duplexes compared to the triplexes. In the mass spectrum of the duplex–MXT mixture, the complex peaks dominated in the ratios of duplex/MXT of 1:1, 1:2 and 1:3, and the 1:2 duplex/MXT peak was the most abundant. In contrast, only 1:1 triplex–MXT complexes were observed in the mass spectrum of the triplex–MXT mixture, and the most intensive peak was a free triplex ion without MXT. Moreover, no sequence selectivity of MXT to different DNA duplexes was found while MXT showed greater affinity to the triplexes that have adjacent TAT or C+GC sequences. In the course of sustained off‐resonance irradiation collision‐induced dissociation (SORI‐CID), the MXT‐duplex complexes generated two separated strands, and the MXT remained on the purine strand side. UV/Vis spectra showed that MXT interacted with DNA by intercalation. Compared with emodin (a duplex intercalator) and napthylquinoline (a triplex binder), we found that the side chain of MXT might play a role in the binding of MXT to the duplexes and the triplexes. ESI‐MS shows an advantage in speed and straightforwardness for the study of drug interactions with nucleic acids. Copyright © 2008 John Wiley & Sons, Ltd.
Detection of 20‐hydroxyecdysone in calf urine by comparative liquid chromatography/high‐resolution mass spectrometry and liquid chromatography/tandem mass spectrometry measurements: application to the control of the potential misuse of ecdysteroids in cattle
Authors: Destrez Blandine , Pinel Gaud , Bichon Emmanuelle , Monteau Fabrice , Lafont René , Le Bizec Bruno 
Published: November 2008

AbstractEcdysteroids, which are steroid hormones in invertebrates, but which are also present in plants, could potentially be used as anabolic agents in food‐producing animals. The control of ecdysteroid misuse in cattle relies on the development of an efficient method for their detection in biological matrices at trace levels (µg L−1). In order to propose an analytical procedure dedicated to the identification of excreted 20‐hydroxyecdysone (20E) in urine and faecal samples of breeding animals, a comparative study of the spectrometric behaviour of these compounds was carried out both by LC/(ESI‐)/HRMSn (hybrid linear ion trap – orbital trap) and by LC/(ESI+)/MS/MS (triple quadrupole). This study revealed the formation of a large number of product ions both in positive and negative ion mode, corresponding to losses of water molecules and specific cleavages on the side chain. The sample preparation consisted of sequential purification on two solid‐phase extraction cartridges (SPE octadecylsilyl and SPE silica). The detection limits were around 0.5 µg L−1 in the selected reaction monitoring (SRM) mode and recoveries above 60% were obtained. The method was successfully applied to the analysis of real samples collected from calves treated with 60 mg 20E over 4 days. Analysis of the samples allowed the investigation of the kinetics of elimination of 20E in calf urine and determination of the time‐frame for the control of potential abuse. Copyright © 2008 John Wiley & Sons, Ltd.
Multi‐loop control synthesis for unstable systems and its application: An approach based on µ interaction measure
Authors: Swarnakar Adarsha , Marquez Horacio Jose , Chen Tongwen 
Published: November 2008

AbstractThis paper presents a new practical framework for multi‐loop controller design in which controllers are designed independently, i.e. a controller in one loop is designed without exploiting information of other controllers. The method is based on the (block) diagonal approximation of a system that is different from its (block) diagonal elements. The focus of this work is on unstable systems and the approximated systems are obtained by minimizing an upper bound of a scaled ℒ︁∞norm for the error systems. This extends the applicability of conventional µ‐interaction measure to a more general scenario. The proposed approach is applied to a numerical example and to a simulated industrial boiler system. Copyright © 2008 John Wiley & Sons, Ltd.
Long‐baseline acoustic navigation for under‐ice autonomous underwater vehicle operations
Authors: Jakuba Michael V. , Roman Christopher N. , Singh Hanumant , Murphy Christopher , Kunz Clayton , Willis Claire , Sato Taichi , Sohn Robert A. 
Published: November 2008

AbstractThe recent Arctic GAkkel Vents Expedition (AGAVE) to the Arctic Ocean's Gakkel Ridge (July/August 2007) aboard the Swedish icebreaker I/B Oden employed autonomous underwater vehicles (AUVs) for water‐column and ocean bottom surveys. These surveys were unique among AUV operations to date in requiring georeferenced navigation in proximity to the seafloor beneath permanent and moving ice cover. We report results for long‐baseline (LBL) acoustic navigation during autonomous under‐ice surveys near the seafloor and adaptation of the LBL concept for several typical operational situations including navigation in proximity to the ship during vehicle recoveries. Fixed seafloor transponders were free‐fall deployed from the ship for deep positioning. The ship's helicopter collected acoustic travel times from several locations to georeference the transponders' locations, subject to the availability of openings in the ice. Two shallow beacons suspended from the ship provided near‐surface spherical navigation in ship‐relative coordinates. During routine recoveries, we used this system to navigate the vehicles into open water near the ship before commanding them to surface. In cases in which a vehicle was impaired, its position was still determined acoustically through some combination of its acoustic modem, the fixed seafloor transponders, the ship‐deployed transponders, and an onboard backup relay transponder. The techniques employed included ranging adapted for a moving origin and hyperbolic navigation. © 2008 Wiley Periodicals, Inc.
Force cooperation in a reconfigurable field multirobot system
Authors: Wang Wei , Zhang Houxiang , Zong Guanghua , Zhang Jianwei 
Published: November 2008

AbstractForce cooperation between robots can enhance the mobility of robots in the field. This paper presents the multirobot system JL‐1, in which the robots can dock and adjust their posture in relation to each other to execute force cooperation if necessary. To reveal how force cooperation enhances the terrain adaptability of JL‐1 and to discover the limits of the current reconfiguration mechanism, this paper analyzes the forces arising between robots during force cooperation. By examining one typical, flexible force cooperation, the docking action, we deduce the self‐aligning conditions of the current docking mechanism, which is useful to improve the mechanism and clarify the demands on the docking guidance sensors. The static analysis of the posture‐adjusting mechanism yields the force‐amplifying feature and the drivable work space of this motorized spherical joint consisting of a parallel and serial mechanism. The analysis also explains why some locomotion types of JL‐1 are performed the way they are. After that, a series of on‐site experiments confirm the abilities of the locomotion and the force cooperation of JL‐1. As the basis of the analysis, the mechanical structure and control system architecture of JL‐1 are also briefly introduced. © 2008 Wiley Periodicals, Inc.
Mirror‐based reflection in AmbientTalk
Authors: Mostinckx Stijn , Van Cutsem Tom , Timbermont Stijn , Gonzalez Boix Elisa , Tanter Éric , De Meuter Wolfgang 
Published: November 2008

AbstractThis paper introduces a novel mechanism to perform intercession (a form of reflection) in an object‐oriented programming language with the goal of making the language extensible from within itself. The proposed mechanism builds upon a mirror‐based architecture, leading to a reusable reflective application programming interface that cleanly separates interface from implementation details. However, support for intercession has been limited in contemporary mirror‐based architectures. This is due to the fact that mirror‐based architectures only support reflection explicitly triggered by metaprograms, while intercession requires reflection implicitly triggered by the language interpreter. This work reconciles mirrors with intercession in the context of an actor‐based, object‐oriented programming language named AmbientTalk. We describe this language's full reflective architecture, highlighting its novel mirror‐based approach to reflect upon both objects and concurrently executing actors. Subsequently, we apply AmbientTalk's mirror‐based reflection to implement two language features, which crucially depend on intercession, to wit future‐type message passing and leased object references. Copyright © 2008 John Wiley & Sons, Ltd.
Racemic gamma vinyl‐GABA (R,S‐GVG) blocks methamphetamine‐triggered reinstatement of conditioned place preference
Authors: DeMarco Amy , Dalal Reema M. , Pai Jessica , Aquilina Stefanie D. , Mullapudi Uma , Hammel Crystie , Kothari Shiva K. , Kahanda Milan , Liebling Courtney N.B. , Patel Vinal , Schiffer Wynne K. , Brodie Jonathan D. , Dewey Stephen L. 
Published: November 2008

AbstractPreventing relapse poses a significant challenge to the successful management of methamphetamine (METH) dependence. Although no effective medication currently exists for its treatment, racemic γ vinyl‐GABA (R,S‐GVG, vigabatrin) shows enormous potential as it blocks both the neurochemical and behavioral effects of a variety of drugs, including METH, heroin, morphine, ethanol, nicotine, and cocaine. Using the reinstatement of a conditioned place preference (CPP) as an animal model of relapse, the present study specifically investigated the ability of an acute dose of R,S‐GVG to block METH‐triggered reinstatement of a METH‐induced CPP. Animals acquired a METH CPP following a 20‐day‐period of conditioning, in which they received 10 pairings of alternating METH and saline injections. During conditioning, rats were assigned to one of four METH dosage groups: 1.0, 2.5, 5.0, or 10.0 mg/kg (i.p.,n= 8/group). Animals in all dosage groups demonstrated a robust and consistent CPP. This CPP was subsequently extinguished in each dosage group with repeated saline administration. Upon extinction, all groups reinstated following an acute METH challenge. On the following day, an acute dose of R,S‐GVG (300 mg/kg, i.p.) was administered 2.5 h prior to an identical METH challenge. R,S‐GVG blocked METH‐triggered reinstatement in all four groups. Given that drug re‐exposure may potentiate relapse to drug‐seeking behavior, the ability of R,S‐GVG to block METH‐triggered reinstatement offers further support for its use in the successful management of METH dependence. Synapse 63:87–94, 2009. © 2008 Wiley‐Liss, Inc.
The Single Crystal Structures of the Copper Usovites Ba2CaCuV2F14 and Ba2CaCuCr2F14
Authors: Le Lirzin Antoine , Darriet Jacques , Tressaud Alain , Babel Dietrich 
Published: November 2008

AbstractThe results of single crystal X‐ray structure determinations are reported for Ba2CaCuV2F14 (a = 1383.6(3), b = 540.89(8), c = 1493.1(3) pm, β = 91.65(3)°) and Ba2CaCuCr2F14 (a = 1381.1(5), b = 535.5(1), c = 1481.4(6) pm, β = 91,50(4)°), both isotypic with usovite (space group C2/c, Z = 4). The resulting average distances are V‐F: 193.8 pm, Cr‐F: 190.7 pm, and Cu‐F: 209.2 resp. 207.1 pm for the Jahn‐Teller elongated [CuF6] octahedra. Within the cross‐linked double chains of octahedra F‐bridged trimers M‐Cu‐M, magnetically studied earlier, are confirmed and discussed.
Reactivity of Lanthanoid Aryloxide Complexes: Isolation of a 1,2‐Dimethoxyethane Cleavage Product
Authors: Deacon Glen B. , Junk Peter C. , Moxey Graeme J. 
Published: November 2008

Abstract[Yb(OAr)2(μ‐OMe)(DME)]2 (1) (OAr = 2,6‐di‐iso‐propylphenolate) was synthesised via a redox transmetallation ligand exchange reaction between ytterbium metal, diphenylmercury and 2,6‐di‐isopropylphenol in DME. The source of the methoxy groups is from cleavage of DME, and the C‐O bond activation is unexpected given that the reaction was undertaken at ambient temperature. Each Yb3+ metal ion in 1 is six coordinate, and the coordination arrangement around each metal ion is distorted trigonal antiprismatic with Yb‐O(OMe) bond lengths (2.191(2) and 2.258(2) Å) shorter than the Yb‐O(aryloxide) bond distances (2.094(2) and 2.074(2) Å).
A Cationic Chlorido‐bridged Palladium(II) Complex of the Sterically Hindered Bis(4‐methylthiazolyl)isoindoline Ligand (4‐Mebti)
Authors: Bröring Martin , Kleeberg Christian 
Published: November 2008

AbstractThe treatment of chlorido[bis(4‐methylthiazolyl)isoindoline]palladium(II) [(4‐Mebti)PdCl] with sodium tetrakis[bis‐3,5(trifluoromethyl)phenyl]boranate Na[BArF] in the absence of donor ligands or solvents results in the exclusive formation of the dinuclear cationic complex [{(4‐Mebti)Pd}2Cl]+independent of the stoichiometry of the reactants. The new compound crystallizes either in the space group$P{\bar 1}$or inC2/cdepending on the amount of co‐crystallized solvent. In both cases, the molecular structure of the dinuclear cation reveals a sterically crowded situation with the Pd2+ion bound in a non‐planar coordination environment. In solution, [{(4‐Mebti)Pd}2Cl]+reacts with acetonitrile to form the neutral [(4‐Mebti)PdCl] and an equilibrium mixture of different complexes, from which the mononuclear species [(4‐Mebti)Pd(NCCH3)]+can be isolated as the pure BArFderivative.
Die Oxidnitridselenide M3ONSe2 dreiwertiger Lanthanoide (M = Ce – Nd)
Authors: Lissner Falk , Schleid Thomas 
Published: November 2008

AbstractThe Oxide Nitride Selenides M3ONSe2 of Trivalent Lanthanoids (M = Ce – Nd)Oxide nitride selenides of the trivalent lanthanoids (M = Ce – Nd) with the composition M3ONSe2 can be prepared by the oxidation of the respective lanthanoid metal with selenium and sodium azide (NaN3) in presence of impurities containing oxygen when the corresponding lanthanoid trichloride (MCl3) is used as sodium trap for the coformation of NaCl. The thermal treatment of these mixtures along with additional NaCl as flux at 900 °C in evacuated silica tubes secures the formation of fawn, transparent, lath‐shaped crystals. The monoclinic structure (C2/m, Z = 6) was determined from X‐ray single‐crystal diffraction data (Ce3ONSe2: a = 2480.51(14), b = 406.85(3), c = 952.83(6) pm, β = 95.506(4)°; Pr3ONSe2: a = 2462.72(14), b = 403.74(3), c = 947.26(6) pm, β = 95.731(4)°; Nd3ONSe2: a = 2440.35(14), b = 401.48(3), c = 944.02(6) pm, β = 95.763(4)°). Five crystallographically different M3+ cations reside in six‐ to eightfold coordination of the respective anions (three independent O2−/N3− and Se2− each), for which a statistic distribution of the light elements (O2− : N3− = 1 : 1) has to be assumed. However, the main features of the crystal structure are (O2−/N3−)‐centred (M3+)4 tetrahedra. For the first time ever within the same structure of this kind, condensation of these anion‐centred cation polyhedra forming strands and layers simultaneously could be detected. Cis‐edge connected [(O/N)M4]9.5+ tetrahedra build up the chain components $^{1}_{\infty}\rm \{[(O/N)(M4)_{3/3}(M5)_{1/1}]^{3,5+}\}$ running along [010], which are already known as dominating core in some crystal structures of pure nitride chalcogenides (e.g. Sm4N2S3 and Tb4N2Se3). A new motif of condensed tetrahedral units comprises the second feature. By fusing [(O/N)M4]9.5+ tetrahedra via vertices and edges, one‐dimensional strand sections from the cationic sheets $^{2}_{\infty}\rm \{([OC_{4/4}]^{+})_{2}\}$ of the Ce2O2S‐type structure, which are further connected only via common vertices to form a lower‐condensed steplike two‐dimensional layer $^{2}_{\infty}\rm \{[(O/N)_{4}M_{5}]^{5+}\}$, spreading parallel to the (100) plane, emerge for the very first time.
The First Heterobimetallic Metallasilsesquioxane Derivatives of Manganese
Authors: Lorenz Volker , Blaurock Steffen , Edelmann Frank T. 
Published: November 2008

AbstractThe reaction of (c‐C6H11)7Si7O9(ONa)3, prepared in situ from (c‐C6H11)7Si7O9(OH)3 (1), and MnCl2(THF)2 in THF solution resulted in formation of the novel heterobimetallic Mn/Na metallasilsesquioxane complex [(c‐C6H11)7Si7O9(O3Mn)Na(Et2O)]2·Et2O (2) which was isolated in the form of colorless crystals in 64 % yield. Similar treatment of MnCl2(THF)2 with in situ prepared (c‐C6H11)7Si7O9(OLi)3 afforded the unusual tetramanganese silsesquioxane complex [(c‐C6H11)7Si7O9(O3Mn2Br)LiBr(THF)(Et2O)]2 (3) in high yield (81 %). Both 2 and 3 were structurally characterized by single‐crystal X‐ray diffraction.
The elements of a consumer‐based initiative in contributing to positive environmental change: Monterey Bay Aquarium's Seafood Watch program
Authors: Kemmerly Jennifer Dianto , Macfarlane Victoria 
Published: November 2008

AbstractMonterey Bay Aquarium launched the Seafood Watch® program in 2000. The program's Seafood Watch pocket guide is a simple tool that visitors can use to identify seafood from environmentally responsible sources. Since its inception, more than 2 million pocket guides have been distributed to Monterey Bay Aquarium visitors and 20 million have been distributed through partnerships across the United States. Partner institutions such as aquariums, conservation organizations, and businesses also conduct outreach and are working to influence their local seafood purveyors. An evaluation conducted in 2003 and 2004 assessed the program's strategies for increasing awareness and shifting consumer buying habits as they relate to sustainable seafood, including use of the pocket guide. Visitors who picked up pocket guides were surveyed immediately after their aquarium visit, and again four months later. The evaluation found that most visitors continued to use the guides and had changed their seafood buying habits in several respects. Those interviewed also reported some barriers to using the guides. The elements that appear to be critical to the success of the strategy with respect to changing consumer purchasing habits include: a focused distribution approach; providing credible and specific information on problems and solutions to increase action‐related knowledge; providing a trigger or prompt that is available at the time of purchase; and reducing barriers to action, at the point of action, by working with seafood purveyors and the broader sustainable seafood movement to increase knowledge and available options. In response to the evaluation, Seafood Watch has strengthened these elements and expanded to help meet the needs of the broader sustainable seafood movement. A process of strategic planning, evaluation, cooperation among partners, and adaptability to the movement's natural evolution has proven to be critical to the program's success in contributing to the development of a marketplace for sustainable seafood. Zoo Biol 28:398–411, 2009. © 2008 Wiley‐Liss, Inc.
Behavioral monitoring in zoos and aquariums: a tool for guiding husbandry and directing research
Authors: Watters Jason V. , Margulis Susan W. , Atsalis Sylvia 
Published: November 2008

AbstractBehavioral monitoring is the scientific collection of animal behavior data to understand normal patterns of behavior and changes in these patterns. This tool is underutilized in the zoo industry although it can be an effective indicator of many potential problems that compromise zoo animal well‐being. We suggest that a behavioral monitoring program should be a core component of a zoological institution's care program. We detail the benefits of such a program and describe its components. We provide guidelines for implementing such a program and make recommendations that will help institutions to employ behavioral monitoring programs with reasonable expense. We argue that the benefits of such a program, primarily increased detection of rising or potential problems, far outweigh the minor costs of implementation. Zoo Biol 28:35–48, 2009. © 2008 Wiley‐Liss, Inc.
l‐2‐Hydroxyglutaric aciduria, a disorder of metabolite repair
Authors: Van Schaftingen E. , Rzem R. , Veiga‐da‐Cunha M. 
Published: November 2008

SummaryThe neurometabolic disorder l‐2‐hydroxyglutaric aciduria is caused by mutations in a gene present on chromosome 14q22.1 and encoding l‐2‐hydroxyglutarate dehydrogenase. This FAD‐linked mitochondrial enzyme catalyses the irreversible conversion of l‐2‐hydroxyglutarate to alpha‐ketoglutarate. The formation of l‐2‐hydroxyglutarate results from a side‐activity of mitochondrial l‐malate dehydrogenase, the enzyme that interconverts oxaloacetate and l‐malate, but which also catalyses, very slowly, the NADH‐dependent conversion of alpha‐ketoglutarate to l‐2‐hydroxyglutarate. l‐2‐Hydroxyglutarate has no known physiological function in eukaryotes and most prokaryotes. Its accumulation is toxic to the mammalian brain, causing a leukoencephalopathy and increasing the susceptibility to develop tumours. l‐2‐Hydroxyglutaric aciduria appears to be the first disease of ‘metabolite repair’.