bluuebunny/crossref_metadata_2025 huggingface dataset:
Electronic and Molecular Structures of Heteroradialenes: A Combined Synthetic, Computational, Spectroscopic, and Structural Study Identifying IR Spectroscopy as a Simple but Powerful Experimental Probe
Authors: Freiherr von Richthofen Carl-Georg , Feldscher Bastian , Lippert Kai-Alexander , Stammler Anja , Bögge Hartmut , Glaser Thorsten
Published: January 2013

The vicinity of a hydrogen bond donor (O-H) and a hydrogen bond acceptor (C=O or C=N- R) in salicylaldehydes and ortho-Schiff bases results in significant structural variations compared to the monosubstituted derivatives that are reflected in the electronic structure and thus in the spectroscopic properties. This interplay between intramolecular hydrogen bonding and multicenter p- electron delocalization is the origin of the concept of resonance-assisted hydrogen bonding (RAHB). Herein, the complexity is extended from one hydrogen bond donor-acceptor pair in salicylaldehyde and ortho-Schiff bases to three hydrogen bond donor-acceptor pairs in 2,4,6-tricarbonyl- and 2,4,6- triimine-substituted phloroglucinols (1,3,5-trihydroxybenzene), respectively. To evaluate the changes in the molecular and electronic structures, we have performed a comprehensive computational, spectroscopic, and structural study starting from monosubstituted benzene derivatives as references over ortho-disubstituted derivates to the sixfold-substituted derivatives. Whereas in salicylaldehydes, ortho- Schiff bases, and 2,4,6-tricarbonyl-phloroglucinols the phenolic O-protonated tautomers represent the energy minima, the N-protonated tautomers represent the energy minima in 2,4,6-triiminephloroglucinols. The analysis provides a keto-enamine resonance structure with six exocyclic double bonds to be dominant for these species reminiscent of [6]radialenes, which were termed heteroradialenes. These heteroradialenes are non-aromatic alicycles. However, the predominance of this resonance structure does not represent a sudden change going from the 2,4,6-tricarbonyl- to the 2,4,6-triimine-phloroglucinols, but a gradual increase of analogous resonance structure contributions is observed even in salicylaldehyde and ortho-Schiff bases demonstrating some hetero-orthoquinodimethane character. These changes are, besides in the molecular structures, well reflected in the IR spectra, which can therefore be used as a simple tool to probe the electronic structures in these systems. Interruption of the delocalized p system supporting the intramolecular hydrogen bond, i. e. going from 2,4,6-triimine- to 2,4,6-triamine-substituted phloroglucinols, reestablishes an O-protonated aromatic phloroglucinol system.
High-pressure Syntheses and Characterization of the Rare Earth Borates RE5(BO3)2F9 (RE=Dy, Ho)
Authors: Hinteregger Ernst , Böhler Gerhard , Hofer Thomas S. , Huppertz Hubert
Published: January 2013

The new rare earth fluoride borates RE
5(BO3)2F9 (RE=Ho, Dy) were synthesized under high-pressure/high-temperature conditions of 1:5 GPa, 1250°C for Dy5(BO3)2F9 and 2:5 GPa, 1200°C for Ho5(BO3)2F9 in a Walker-type multianvil apparatus from the corresponding rare earth oxides, rare earth fluorides, and boron oxide. The single-crystal structure determinations have revealed that both compounds are isotypic to the known rare earth fluoride borates RE
5(BO3)2F9 (RE=Er, Tm, Yb). The new fluoride borates crystallize monoclinically in the space group C2/c (Z=4) with the lattice parameters a=2046.7(4), b=615.9(2), c=829:6(2) pm, β=100.1(1)° for Dy5(BO3)2F9 and a=2039.5(4), b=612.7(2), c=827:1(2) pm, β=100.2(1)° for Ho5(BO3)2F9. Three crystallographically different nine-fold coordinated rare earth cations can be identified in the crystal structure. All boron atoms build up isolated trigonal-planar [BO3]3– groups. In addition to the Raman and IR spectroscopic investigations, DFT-calculations were performed to support the assignment of the vibrational bands.
Ca2Pd2Cd with W2B2Co-type Structure
Authors: Johnscher Michael , Pöttgen Rainer
Published: January 2013

Ca2Pd2Cd was synthesized by high-frequency melting of the elements in a sealed niobium ampoule. Its structure was refined from single-crystal X-ray diffractometer data: W2B2Co type, Immm, a=444.58(6), b=590.25(6), c=863.07(10) pm, wR2=0.0252, 305 structure factors, 13 variables. The palladium and cadmium atoms build up twodimensional [Pd2Cd] networks which consist of Pd4Cd2 hexagons and Pd2Cd2 rectangles with 272.7 pm Pd-Pd and 273.2 pm Pd-Cd. The calcium atoms are coordinated by one Pd4Cd2 and one Pd2Cd2 unit. The structure of Ca2Pd2Cd is compared to that of Ce2Pd2Cd with its tetragonal Mo2B2Fe type.
Moving Shadow Detection in Video Using Cepstrum
Authors: Cogun Fuat , Cetin Ahmet Enis
Published: January 2013

Moving shadows constitute problems in various applications such as image segmentation and object tracking. The main cause of these problems is the misclassification of the shadow pixels as target pixels. Therefore, the use of an accurate and reliable shadow detection method is essential to realize intelligent video processing applications. In this paper, a cepstrum-based method for moving shadow detection is presented. The proposed method is tested on outdoor and indoor video sequences using well-known benchmark test sets. To show the improvements over previous approaches, quantitative metrics are introduced and comparisons based on these metrics are made.
Finger Readjustment Algorithm for Object Manipulation Based on Tactile Information
Authors: Ramón Juan Antonio Corrales , Medina Fernando Torres , Perdereau Véronique
Published: January 2013

This paper presents a novel algorithm which registers pressure information from tactile sensors installed over the fingers of a robotic hand in order to perform manipulation tasks with objects. This algorithm receives as an input the joint trajectories of the fingers which have to be executed and adapts it to the real contact pressure of each finger in order to guarantee that undesired slippage or contact-breaking is avoided during the execution of the manipulation task. This algorithm has been applied not only for the manipulation of normal rigid bodies but also for bodies whose centre of mass can be changed during the execution of the manipulation task.
Finding the Generalized Forces of a Series-Parallel Manipulator
Authors: Garcia-Murillo Mario , Gallardo-Alvarado Jaime , Castillo-Castaneda Eduardo
Published: January 2013

In this work the kinematic and dynamic analyses of a robot manipulator whose topology consists of parallel kinematic structures with linear actuators are approached by means of the theory of screws and the principle of virtual work. The input/output equations of velocity and acceleration are obtained by applying screw theory. Then the generalized forces of the manipulator are determined combining screw theory and the principle of virtual work. Finally, a case study, whose numerical results are compared with simulations generated with the aid of specialized software, is included.
Safe Human-Robot Cooperation in an Industrial Environment
Authors: Pedrocchi Nicola , Vicentini Federico , Matteo Malosio , Tosatti Lorenzo Molinari
Published: January 2013

The standard EN ISO10218 is fostering the implementation of hybrid production systems, i.e., production systems characterized by a close relationship among human operators and robots in cooperative tasks. Human-robot hybrid systems could have a big economic benefit in small and medium sized production, even if this new paradigm introduces mandatory, challenging safety aspects. Among various requirements for collaborative workspaces, safety-assurance involves two different application layers; the algorithms enabling safe space-sharing between humans and robots and the enabling technologies allowing acquisition data from sensor fusion and environmental data analysing. This paper addresses both the problems: a collision avoidance strategy allowing on-line re-planning of robot motion and a safe network of unsafe devices as a suggested infrastructure for functional safety achievement.
Dynamics Analysis of a Three-DOF Planar Serial-Parallel Mechanism for Active Dynamic Balancing with Respect to a Given Trajectory
Authors: Wang Kun , Luo Minzhou , Mei Tao , Zhao Jianghai , Cao Yi
Published: January 2013

The concept of dynamic balancing with respect to a given trajectory is proposed in this paper. Trajectory-based dynamic balancing is a technique that brings additional mechanisms to unbalanced mechanisms with the purpose of actuating the original mechanism to move along a predefined trajectory, regardless of the shaking forces and moments. In this work, a planar three degrees of freedom (3-DOF) serial-parallel mechanism is proposed to implement this technique on an unbalanced platform. The overall structure of the system is firstly introduced and the mechanical design and kinematics of the proposed mechanism is then presented. The dynamic model of the mechanism and the platform is derived and analysed. Finally, numerical examples are presented to verify the effectiveness of the active dynamic balancing mechanism and the improved dynamic performance of the system.
Control of 2D Minimally Persistent Formations with Three Co-Leaders in a Cycle
Authors: Cao Hu , Bai Yongqiang , Chen Jie , Fang Hao
Published: January 2013

This paper mainly solves the problem of 2D minimally persistent formation control in which three co-leaders are in a cycle, which raises a great challenge in the area of persistent formation control. First, a novel control law is proposed for this problem. The fundamental moving principles of the agents are well-designed based on the property of persistence, and the non-square rigidity matrix is converted into the square one for the design of the control law. Then, the method of leading principal minor is utilized to prove that the formation with the above control law can be stabilized. Finally, simulation results show that the proposed controllers are able to stabilize the group formation to a rigid shape, while keeping the distances between the agents to the desired value.
A Decentralized Method Using Artificial Moments for Multi-Robot Path-Planning
Authors: Xu Wang-bao , Chen Xue-bo , Zhao Jie , Huang Tian-yun
Published: January 2013

For the local path-planning of multi-robots, a decentralized method is presented where each robot plans its own path in the following steps for each iteration. Firstly, an optimal way representative point ( OWRpoint) is obtained for guiding the robot to move along a shorter path. Then, the robot moves a step under the control of its own motion controller, which is designed based on artificial moments. In the motion controller, attractive and repulsive moments are used to move robots closer to their OWRpoints and away from obstacles, while coordinated moments are used to resolve the conflicts between robots. Two simulations are given to test the method and the results indicate that the method is valuable as it meets the requirements of the real-time property while optimizing the performance measure of each robot: namely, the path travelled to reach the robot's target.
Lactobacillus Mediated Synthesis of Silver Oxide Nanoparticles
Authors: Dhoondia Zuzer H , Chakraborty Hemlatta
Published: January 2013

The ability of prokaryotic microorganisms to reduce the inorganic metals has opened up an exciting eco-friendly approach towards the development of natural ‘nano-factories’. However, a number of issues have to be addressed from the nanotechnological and microbiological point of view before such a biosynthesis approach can compete with the existing physical and chemical methods. This report investigates the synthesis of silver oxide nanoparticles using Lactobacillus mindensis, isolated using fixer solution from an X-ray photographic laboratory. Nanoparticles obtained were characterized by means of UV-vis spectroscopy, transmission electron microscopy (TEM), and X-ray diffraction (XRD). The UV-vis spectrum shows the absorbance maximum at 430 nm, which is a characteristic of surface plasmon resonance of silver. Further, the presence of stable nanoparticles in the range of 2–20 nm was determined using TEM analysis. Silver nanoparticles in the form of silver oxide were confirmed in the XRD study. In conclusion, Lactobacillus mindensis serves as a promising candidate in the quest to synthesize silver oxide nanoparticles through green chemistry.
Nanostructured Triblock Copolymers with Chemically Complementary Components and Their Ionic Conductivity
Authors: Zheltonozhskaya Tatyana , Shembel Elena , Fedorchuk Sergey , Kunitskaya Larisa , Maksyuta Iryna , Permyakova Nataliya , Gomza Yuriy
Published: January 2013

A series of structural and electrochemical studies of the triblock copolymers (TBCs) based on poly(ethylene oxide) (Mn = 14 and 35 kDa) and polyacrylamide (PAAm-b-PEO-b-PAAm), which formed the intramolecular polycomplexes, were carried out using nuclear magnetic resonance, differential scanning calorimetry, wide-angle and small-angle X-ray scattering, and impedance spectroscopy. The combination of the amorphous mass-fractal-organized structure of the copolymers with high level of the ionic conductivity of pure TBCs and their compositions with the couple KI/I2 and LiPF6 salt was established. Possible reasons for the effects in the context of applications of TBC compositions in solar cells and lithium batteries are discussed.
Drosera capensis (Droseraceae), a new naturalised record for Australia
Authors: Jobson Richard W. , Conn Barry
Published: January 2013

Drosera capensis L. (Droseraceae) is reported as a naturalised new record for Australia, occurring in the Central Coast bioregion of New South Wales. Although the full extent of the distribution of this species is not known, it is currently thought to be isolated to a small creek-side community within the Royal National Park, New South Wales, south of Sydney. The full extent of the invasion is being evaluated and control measures are being enacted to eradicate the known population within the park. A key to the species of Drosera occurring in New South Wales, amendments to the key to species occurring in Australia, together with a description of D. capensis, are provided.
Two new species of Indigofera (Fabaceae: Faboideae) from western Queensland
Authors: Wilson Peter G , Rowe Ross
Published: January 2013

Two new species of Indigofera are described from western Queensland, one of which also extends into the Northern Territory. Indigofera erubescens Peter G. Wilson & Rowe, is a species sometimes confused with I. brevidens and, to a lesser extent, I. helmsii but readily distinguished from both by its rather small, red flowers; Indigofera queenslandica Peter G. Wilson & Rowe, is a species superficially similar in parts of its range to I. leucotricha in having a rather dense, greyish indumentum. Both species are illustrated and their conservation status discussed.
Economic Plantwide Control Over a Wide Throughput Range: A Systematic Design Procedure
Authors: Jagtap Rahul , Kaistha Nitin , Skogestad Sigurd
Published: January 2013

A systematic top‐down procedure to design an effective plantwide control system for economically (near) optimum process operation over a wide throughput range is developed. The proposed procedure focuses on devising a control system for optimal operation at maximum throughput, where usually the highest number of constraints is active and the economic benefits of improved operation are the greatest. To do so, loops for tight control of all the active constraints and economically sound controlled variables (CVs) corresponding to unconstrained degrees of freedom are first implemented (Step 1) followed by a consistent inventory control system (Step 2). This control system is adapted with setpoints that become unconstrained at lower throughputs taking up additional economic CV control or throughput manipulation (Step 3). Iteration between the three steps may be necessary to eliminate fragile/unconventional inventory loops (Step 4). The application of the methodology is demonstrated on three realistic example processes. © 2013 American Institute of Chemical Engineers AIChE J, 59: 2407–2426, 2013
Developmental outcome in Pierre Robin sequence: A longitudinal and prospective study of a consecutive series of severe phenotypes
Authors: Thouvenin Béatrice , Djadi‐Prat Juliette , Chalouhi Christel , Pierrot Sébastien , Lyonnet Stanislas , Couly Gérard , Abadie Véronique
Published: January 2013

Pierre Robin sequence (PRS) is a congenital condition with a heterogeneous and imprecise developmental prognosis. We conducted a longitudinal prospective study analyzing the long‐term developmental outcome of a consecutive series of 39 children with PRS who had an a priori good prognosis (isolated PRS or PRS associated with a Stickler syndrome) but severe neonatal disorders (respiratory and feeding difficulties). Psychomotor and cognitive levels, speech, and eating behavior were assessed at 15 months of age and 3 and 6 years of age; 24 of the oldest children were interviewed at age 11 or 12 years. Results were analyzed by diagnosis, extent of respiratory and feeding disorders, and treatment modalities. Cognitive scores were within normal ranges and increased over time, from 90.5 at 15 months of age to 109.1 at 6 years. The 24 oldest children were enrolled in the appropriate junior high school grade at the normal age. For children 15 months of age, language scores were below the average, as were scores for vocabulary at 3 years for half of the patients. At 6 years, children's speech showed persistent rhinolalia, which was mild (47%), moderate (11%), or major (11%). At 15 months of age, 74% of the children had satisfactory eating behavior, and 15% had serious difficulties. At 3 and 6 years, 18% and 6% of the children, respectively, had eating problems. Treatment modalities had no significant effect on long‐term outcome. Global developmental quotient scores were lower but not significantly for children with an associated Stickler syndrome than those with isolated PRS. Children with isolated PRS showed good prognosis. © 2013 Wiley Periodicals, Inc.
Palladium‐Catalyzed Decarboxylative Suzuki and Heck Couplings of Azaindole‐2‐carboxylic Acids: Synthesis of 2‐Aryl/Alkenyl‐1‐phenylsulfonyl‐1 H‐pyrrolo‐[2,3 b]pyridines
Authors: Suresh Rajendran , Muthusubramanian Shanmugam , Kumaran Rajendran Senthil , Manickam Govindaswamy
Published: January 2013

A series of 2‐aryl‐1‐(phenylsulfonyl)‐1H‐pyrrolo[2,3‐b]pyridines 3 were obtained by a palladium‐catalyzed decarboxylative Suzuki coupling of azaindole‐2‐carboxylic acid derivative 1. The synthesis of alkenyl‐1‐(phenylsulfonyl)‐1H‐pyrrolo[2,3‐b]pyridines 9 by a related Heck coupling is also described. Protodecarboxylation operates in the case of azaindole‐3‐carboxylic acids under the reaction conditions.
The Social Function of Food‐Associated Calls in Male Chimpanzees
Authors: FEDUREK PAWEL , SLOCOMBE KATIE E.
Published: January 2013

There is an ongoing debate about the adaptive function of chimpanzee's food‐associated calls. Here, we tested a new hypothesis that food‐associated calls in male chimpanzees function to signal that the calling individual is likely to initiate or prolong feeding. We propose that the signal functions to coordinate activities between individuals and that its ultimate function is to retain the nearby individuals in proximity. To test this hypothesis, we collected data on social and ecological correlates of food‐associates calls in male chimpanzees. The results of this study, which was conducted on the Kanyawara community in the Kibale National Park, Uganda, show that males tended to feed for significantly longer after giving food‐associated calls upon initiating feeding than after remaining silent. The type of audience had a significant effect on food calling, with males producing food‐associated calls more often when males rather than females and preferred rather than neutral male social partners were in close proximity. However, the total party or male party size did not correlate with food calling behaviors, suggesting that the signal “targets” those in close proximity. Finally, a male feeding partner was more likely to remain with the focal until the end of a feeding bout after the focal gave a food‐associated call at the beginning of the feeding bout than when he was silent. These results support our hypothesis and suggest that one of the functions of food calling in chimpanzees might be signaling that the caller is likely to initiate and prolong a feeding bout. This information might be used by receivers to make the decision whether or not to stay with the calling individual on a feeding patch or leave him (fission). The study suggests therefore that ultimately the function of food calling might be to coordinate feeding behaviors between males. Am. J. Primatol. 75:726‐739, 2013. © 2013 Wiley Periodicals, Inc.
Nucleation of Organic Crystals—A Molecular Perspective
Authors: Davey Roger J. , Schroeder Sven L. M. , ter Horst Joop H.
Published: January 2013

The outcome of synthetic procedures for crystalline organic materials strongly depends on the first steps along the molecular self‐assembly pathway, a process we know as crystal nucleation. New experimental techniques and computational methodologies have spurred significant interest in understanding the detailed molecular mechanisms by which nuclei form and develop into macroscopic crystals. Although classical nucleation theory (CNT) has served well in describing the kinetics of the processes involved, new proposed nucleation mechanisms are additionally concerned with the evolution of structure and the competing nature of crystallization in polymorphic systems. In this Review, we explore the extent to which CNT and nucleation rate measurements can yield molecular‐scale information on this process and summarize current knowledge relating to molecular self‐assembly in nucleating systems.
Effects of 17/0 circle hooks and bait on sea turtles bycatch in a Southern Atlantic swordfish longline fishery
Authors: Santos Miguel N. , Coelho Rui , Fernandez‐Carvalho Joana , Amorim Sérgio
Published: January 2013

The incidental catch of marine turtles is a major problem in commercial pelagic longline fisheries. The present paper reports marine turtle bycatch composition and rates from a Portuguese commercial longline fishery targeting swordfish in the South Atlantic, and investigates the effects of changes in hook style and bait type.

In total, 310 longline sets were carried out between 2008 and 2012. Three different hook styles were tested, traditional J hook (9/0) and two 17/0 circle hooks (a non‐offset and a 10º offset), but only one bait type was used in each set (Scomber spp. or Illex spp.).

Two species of sea turtles were caught, the leatherback Dermochelys coriacea, and the loggerhead Caretta caretta, the latter comprising the majority of the catches. The highest mean bycatch per unit of effort values for both species combined (1.693/1000 hooks) and for the individual species (1.505/1000 hooks for loggerheads) occurred with J‐style hooks baited with squid. Changing from J‐style to one of the circle hooks was only significant when using squid bait (with the odds‐ratios decreasing between 54% and 63%).

Hooking location was species‐specific, with most loggerheads hooked by the mouth, while leatherbacks were mostly hooked externally by the flippers. Overall, 65% of all sea turtles were released alive (85% for leatherbacks compared with 63% for loggerheads).

Significant reduction of sea turtle accidental catches on the swordfish longline fisheries can be achieved by changing the J hooks to circle hooks, especially if baited with mackerel. However, such gain is species‐specific and area dependent.

Copyright © 2013 John Wiley & Sons, Ltd.
A validated LC‐MS/MS method for rapid determination of brazilin in rat plasma and its application to a pharmacokinetic study
Authors: Deng Zhipeng , Wang Xin , Zhao Huanxin , Cui Shuxiang , Yao Qingqiang , Bai Hong
Published: January 2013

Brazilin is a major homoisoflavonoid component isolated from the dried heartwood of traditional Chinese medicine Caesalpinia sappan L., which is a natural red pigment used for histological staining. Herein a sensitive, specific and rapid analytical LC‐MS/MS method was established and validated for brazilin in rat plasma. After a simple step of protein precipitation using acetonitrile, plasma samples were analyzed using an LC‐MS/MS system. Brazilin and the IS (protosappanin B) were separated on a Diamonsil C18 analytical column (150 × 4.6 mm, 5 µm) using a mixture of water and 10 mm ammonium acetate in methanol (20:80, v/v) as mobile phase at a flow rate of 0.6 mL/min. The method was sensitive with a lower limit of quantitation of 10.0 ng/mL, with good linearity (r2 ≥ 0.99) over the linear range 10.0–5000 ng/mL. All the validation data, such as accuracy and precision, matrix effect, extraction recovery and stability tests were within the required limits. The assay method was successfully applied to evaluate the pharmacokinetics parameters of brazilin after an oral dose of 100 mg/kg brazilin in rats. Copyright © 2013 John Wiley & Sons, Ltd.
Capture of Uropathogenic E. coli by Using Synthetic Glycan Ligands Specific for the Pap‐Pilus
Authors: Yosief Hailemichael O. , Weiss Alison A. , Iyer Suri S.
Published: January 2013

Biotinylated mono‐ and biantennary di‐/trisaccharides were synthesized to evaluate their ability to capture E. coli strains that express pilus types with different receptor specificities. The synthesized biotinylated di‐/trisaccharides contain Galα(1→4)Gal, Galα(1→4)GalNHAc, GalNHAcα(1→4)Gal, Galα(1→4)Galβ(1→4)Glc and GalNHAcα(1→4)Galβ(1→4)Glc as carbohydrate epitopes. These biotinylated oligosaccharides were immobilized on streptavidin‐coated magnetic beads, and incubated with different strains of live E. coli. Capturing ability was assessed by using a luciferase assay that detects bacterial ATP. The trisaccharides containing Galα(1→4)Galβ(1→4)Glc and the disaccharides containing Galα(1→4)Gal as the epitopes exhibited strong capturing ability for uropathogenic E. coli strains with the pap pilus genotype, including CFT073, J96 and J96 pilE. The same ligands failed to capture E. coli strains with fim, prs, or foc genotypes. Uropathogenic CFT073 was also captured moderately by biantennary disaccharides containing a GalNHAc moiety at the reducing end; however, other saccharides containing GalNHAc at the nonreducing end did not capture the CFT073 strain. These synthetic glycoconjugates could potentially be adapted as rapid diagnostic agents to differentiate between different E. coli pathovars.
Cyclohydroamination of Aminoalkenes Catalyzed by Disilazide Alkaline‐Earth Metal Complexes: Reactivity Patterns and Deactivation Pathways
Authors: Liu Bo , Roisnel Thierry , Carpentier Jean‐François , Sarazin Yann
Published: January 2013

The behavior of the first aminophenolate catalysts of the large alkaline earth metals (Ae) [(LOi)AeN(SiMe2R)2(thf)x] (i=1–4; Ae=Ca, Sr, Ba; R=H, Me; x=0–2) for the cyclohydroamination of terminal aminoalkenes is discussed. The complexes [(BDI)AeN(SiMe2H)2(thf)x] (Ae=Ca, Sr, Ba, x=1–2; (BDI)H=H2C[C(Me)N‐2,6‐(iPr)2C6H3]2)) and [(BDI)CaN(SiMe3)2(thf)] supported by the β‐diketiminate (BDI)− ligand have also been employed for comparative and mechanistic considerations. The catalytic performances decrease in the order Ca>Sr≫Ba, which is the opposite trend to that previously observed during the intermolecular hydroamination of activated alkenes catalyzed by the same alkaline‐earth metal complexes. Catalyst efficacy increases when the chelating and donating ability of the aminophenolate ligands decreases. For given metals and ancillary scaffolds, disilazide catalysts that incorporate the N(SiMe3)2− amido group outclass their congeners containing the N(SiMe2H)2− amide owing to the lower basicity of the N(SiMe2H)2− with respect to the N(SiMe3)2− group, and also because Ae–N(SiMe2H)2 catalysts suffer from irreversible deactivation through the dehydrogenative coupling of amine and hydrosilane moieties. This deactivation process takes place at 25 °C in the case of [(LOi)AeN(SiMe2H)2(thf)x] phenolate complexes and occurs even with the related [(BDI)AeN(SiMe2H)2(thf)x] complex, albeit under conditions harsher than those required for effective cyclohydroamination catalysis. A mechanistic scenario for cyclohydroamination catalyzed by [(LX)AeN(SiMe2H)2(thf)x] complexes ((LX)−=(LOi)− or (BDI)−) is proposed. Although beneficial for the synthesis of Ae heteroleptic complexes able to resist deleterious Schlenk‐type equilibria, the use of the N(SiMe2H)2− is prejudicial to catalytic activity in the case of catalyzed transformations that involve reactive amine (and potentially other) substrates. Mechanistic and kinetic investigations further illustrate the interplay between the catalytic activity, operative mechanism, and identity of the metal, ancillary ligand, and amido group. These studies suggest that the widely accepted mechanism for cyclohydroamination reactions cannot be extended systematically to all alkaline‐earth catalysts. The [(BDI)CaN(SiMe2H)2{H2NCH2C(CH3)2CH2CHCH2}2] complex, the first Ca–aminoalkene adduct structurally characterized, was prepared quantitatively and essentially behaves like [(BDI)CaN(SiMe2H)(thf)], thus serving as a model compound for mechanistic studies, as illustrated during stoichiometric reactions monitored by 1H NMR spectroscopy.
Development and Characterization of New Peptidomimetic Inhibitors of the West Nile Virus NS2B–NS3 Protease
Authors: Hammamy M. Zouhir , Haase Caroline , Hammami Maya , Hilgenfeld Rolf , Steinmetzer Torsten
Published: January 2013

A series of new substrate analogue inhibitors of the WNV NS2B–NS3 protease containing decarboxylated arginine mimetics at the P1 position was developed. Among the various analogues, trans‐(4‐guanidino)cyclohexylmethylamide (GCMA) was identified as the most suitable P1 residue. In combination with dichloro‐substituted phenylacetyl groups at the P4 position, three inhibitors with inhibition constants of <0.2 μM were obtained. These GCMA inhibitors have a better selectivity profile than the previously described agmatine analogues, and possess negligible affinity for the trypsin‐like serine proteases thrombin, factor Xa, and matriptase. A crystal structure in complex with the WNV protease was determined for one of the most potent inhibitors, 3,4‐dichlorophenylacetyl‐Lys‐Lys‐GCMA (Ki=0.13 μM). The inhibitor adopts a horseshoe‐like conformation, most likely due to a hydrophobic contact between the P4 phenyl ring and the P1 cyclohexyl group, which is further stabilized by an intramolecular hydrogen bond between the P1 guanidino group and the P4 carbonyl oxygen atom. These inhibitors are stable, readily accessible, and have a noncovalent binding mode. Therefore, they may serve as suitable lead structures for further development.
Synthesis of Water‐Soluble, Multicolored Fluorescent ZnxCd1−xSe Quantum Dots for Developing Latent Fingerprints
Authors: Yu Xuejiao , Zuo Shengli , Xiong Hai , Yu Yingchun , Liu Jianjun , Yang Ruiqin
Published: January 2013

Water‐soluble ZnxCd1−xSe quantum dots (QDs) with different amounts of Cd dopant are synthesized with 3‐mercaptopropionic acid as a modifier under ambient conditions. Hydrazine hydrate is used as the surface stabilizer and pH adjuster during preparation. The effect of dopant amount, initial pH values, and heating time on the fluorescence properties are systematically studied. Based on the emission wavelength shift of ZnxCd1−xSe QDs from 430 to 578 nm, the colors of these QDs are adjustable from blue to orange. This adjustment is beneficial for developing sweat fingerprints on scotch tape. Fresh blood fingerprints on foil, ceramic tile, black plastic, scotch tape, and old bloody fingerprints on black ceramic tile are developed by the QDs. The results show that Zn0.77Cd0.23Se QDs (calculated composition; measured composition: Zn0.83Cd0.17Se) are the most effective material for developing blood fingerprints and is even superior to the traditional tetramethylbenzidine reagent.
Scheduling model and performance analysis in transport mapping layer of control element in forwarding and control element separation system
Authors: Li Chuanhuang , Zhang Sanyuan , Wang Weiming
Published: January 2013

The transport mapping layer (TML) scheduling model in forwarding and control element separation (ForCES) system is important because it not only should be able to process the messages with different priorities but also can solve the fairness and robustness problems in network element level. In this paper, a two‐stage scheduling scheme with strict priority and general processor share scheduling is proposed. In a stochastic network calculus framework and on the basis of moment‐generating functions, bounds on average backlogs and delays of all channels are derived. The performance solving approach presented in this paper is quite general and practical, and the results may be used in other fields easily, without limiting ForCES CE TML. Numerical examples are presented to test the bounds, which show the scheduling scheme is practical and well suited for CE TML requirements. Copyright © 2013 John Wiley & Sons, Ltd.
Embryonic origins of the mouse superior olivary complex
Authors: Marrs Glen S. , Morgan Warren J. , Howell David M. , Spirou George A. , Mathers Peter H.
Published: January 2013

Many areas of the central nervous system are organized into clusters of cell groups, with component cell groups exhibiting diverse but related functions. One such cluster, the superior olivary complex (SOC), is located in the ventral auditory brainstem in mammals. The SOC is an obligatory contact point for most projection neurons of the ventral cochlear nucleus and plays central roles in many aspects of monaural and binaural information processing. Despite their important interrelated functions, little is known about the embryonic origins of SOC nuclei, due in part to a paucity of developmental markers to distinguish individual cell groups. In this report, we present a collection of novel markers for the developing SOC nuclei in mice, including the transcription factors FoxP1, MafB, and Sox2, and the lineage‐marking transgenic line En1‐Cre. We use these definitive markers to examine the rhombic lip and rhombomeric origins of SOC nuclei and demonstrate that they can serve to uniquely identify SOC nuclei and subnuclei in newborn pups. The markers are also useful in identifying distinct nuclear domains within the presumptive SOC as early as embryonic day (E) 14.5, well before morphological distinction of individual nuclei is evident. These findings indicate that the mediolateral and dorsoventral position of SOC nuclei characteristic of the adult brainstem is established during early neurogenesis. © 2013 Wiley Periodicals, Inc. Develop Neurobiol 73: 384–398, 2013
Controlled Growth and Up‐Conversion Improvement of Sodium Yttrium Fluoride Crystals
Authors: Fu Junxiang , Fu Xionghui , Wang Chaomin , Yang Xianfeng , Zhuang Jianle , Zhang Gongguo , Lai Boyuan , Wu Mingmei , Wang Jing
Published: January 2013

A variety of hexagonal sodium yttrium fluoride (NYF) crystals with tunable shapes have been grown, and their up‐conversion (UC) emission has been greatly improved after post‐treatment in an aqueous solution of NH4HF2 and NaF. The enhancement has been attributed to topotactic ion insertion of sodium cations into the channels of Na3xY2–xF6. As sodium‐ion insertion continues to occur and the sodium content rises, the up‐conversion emission intensity and green‐to‐red ratio increase up to the saturation level. However, the X‐ray diffraction patterns and SEM images suggest that both the crystallographic structure and geometric morphology remain unchanged during this topotactic sodium ion insertion. This strategy is very different to previous reports on the use of ion exchange in the preparation of sodium yttrium fluoride crystals and improvement of UC emission. The results of this work demonstrate that sodium vacancy in the hexagonal Na3xY2–xF6 crystal is the key to the clear reduction in the up‐conversion photoluminescence properties of the crystals, but the topotactic sodium ion insertion can revive the up‐conversion efficiency greatly.
Synthesis of Site‐Specific Damaged DNA Strands by 8‐(Acetylarylamino)‐2′‐deoxyguanosine Adducts and Effects on Various DNA Polymerases
Authors: Krüger Sarah , Meier Chris
Published: January 2013

Beside the predominately found 8‐(arylamino)‐2′‐dG, 8‐(acetylarylamino) damages within DNA‐strands may also play an important role in the induction of chemical carcinogenesis. A synthesis pathway leading to these 8‐(acetylarylamino)‐dG adducts using different aromatic amines has been optimized. The 8‐modified dGs were converted into the corresponding phosphoramidites and site‐specifically incorporated into different oligonucleotides leading to DNA strands. Lesion‐bearing hybrids of these damaged DNA‐strands with complementary oligonucleotides were used to study their melting properties and their circular dichroism spectra. It was shown that no EcoRI restriction took place with the damage inside the cleavage site. Finally, three different DNA polymerases were used for primer extension studies.
Results uncertainty of support vector machine and hybrid of wavelet transform‐support vector machine models for solid waste generation forecasting
Authors: Abbasi M. , Abduli M.A. , Omidvar B. , Baghvand A.
Published: January 2013

The prediction of municipal solid waste generation (MSWG) plays an important role in a solid waste management system. However, achieving the anticipated prediction accuracy with regard to the nonhomogeneous nature of waste and effect of various and out of control factors on MSWG is quite challenging. In this article, support vector machine (SVM), one of the artificial intelligence techniques, and hybrid of wavelet transform (WT) and support vector machine (WT‐SVM) are used to predict weekly time series of MSWG in Tehran and Mashhad cites during the period of January 2006–December 2011. To improve the performance of SVM model, considering the influence of noise and the disadvantages of traditional noise eliminating technologies, the wavelet denoising method is applied to reduce or eliminate the noise in MSWG time series.

Since Data‐driven models such as SVM involve potential of uncertainty that is difficult to quantify, uncertainty determination is one of important gaps observed in SVM results analysis. Therefore, Monte Carlo method was used to analyze uncertainty of the model results.

Results showed both models could precisely predict MSWG in Tehran and Mashhad cites. However, the preprocessing of input variables by WT led to develop a more accurate model for prediction of weekly MSWG in both cities. The uncertainty analysis also verified that the WT‐SVM model had more robustness than SVM and had a lower sensitivity to change of input variables. © 2013 American Institute of Chemical Engineers Environ Prog, 33: 220–228, 2014
Children's Causal Explanations of Psychogenic Bodily Reactions
Authors: Toyama Noriko
Published: January 2013

In Experiment 1, 4‐, 5‐, 8‐ and 11‐year‐old Japanese children (n = 69) and adults (n = 21) explained their reasons for bodily induced reactions (e.g. overeating leads to vomiting) and psychogenic bodily reactions (bodily outcomes originating in the mind, e.g. frustration leads to vomiting). Children gave vitalistic explanations, that is, explaining causal connections by referring to a vital force, in responses concerning bodily induced reactions, whereas adults typically gave these explanations in responses concerning psychogenic bodily reactions. In Experiment 2, 5‐, 8‐ and 11‐year‐old children (n = 96) and adults (n = 24) explained bodily induced and psychogenic bodily reactions, and psychological behaviour, for example, that frustration leads to nail biting. As in Experiment 1, vitalistic explanations tended to be found for psychogenic tasks but were seldom found in either children's or adults' explanations of psychological behaviour. The findings suggest that with age vitalistic causality obtains cross mind‐body implications. Copyright © 2013 John Wiley & Sons, Ltd.
Decision analytic strategies for integrating ecosystem services and risk assessment
Authors: von Stackelberg Katherine E
Published: January 2013

Ecosystem services as a concept and guiding principle are enjoying wide popularity and endorsement from high-level policy thinkers to industry as support for sustainability goals continue to grow. However, explicit incorporation of ecosystem services into decision making still lacks practical implementation at more local scales and faces significant regulatory and technical constraints. Risk assessment represents an example of a regulatory process for which guidance exists that makes it challenging to incorporate ecosystem service endpoints. Technical constraints exist in the quantification of the relationships between ecological functions and services and endpoints valued by humans, and the complexity of those interactions with respect to bundling and stacking. In addition, ecosystem services, by their very definition, represent an anthropogenic construct with no inherent ecological value, which, in practical terms, requires a far more inclusionary decision making process explicitly incorporating a greater diversity of stakeholder values. Despite these constraints, it is possible, given a commitment to sustainable decision making, to simplify the process based on strategic outcomes (e.g., identifying desired end-states in general terms). Decision analytic techniques provide a mechanism for evaluating tradeoffs across key ecosystem services valued by stakeholders and to develop criteria drawn from the entire spectrum of stakeholders in evaluating potential alternatives. This article highlights several examples of ways in which ecosystem service endpoints can be incorporated into the decision-making process. Integr Environ Assess Manag 2013; 9: 260–268. © 2013 SETAC
Embossed‐carving processing of cytoskeletons of cultured cells by using focused ion beam technology
Authors: Terada Dohiko , Hattori Shinya , Honda Takako , Iitake Masanori , Kobayashi Hisatoshi
Published: January 2013

The focused ion beam (FIB) technology has drawn considerable attention in diverse research fields. FIB can be used to mill samples at the nanometer scale by using an ion beam derived from electrically charged liquid gallium (Ga). This powerful technology with accuracy at the nanometer scale is now being applied to life science research. In this study, we show the potential of FIB as a new tool to investigate the internal structures of cells. We sputtered Ga+ onto the surface or the cross section of animal cells to emboss the internal structures of the cell. Ga+ sputtering can erode the cell surface or the cross section and thus emboss the cytoskeletons quasi‐3 dimensionally. We also identified the embossed structures by comparing them with fluorescent images obtained via confocal laser microscopy because the secondary ion micrographs did not directly provide qualitative information directly. Furthermore, we considered artifacts during the FIB cross sectioning of cells and propose a way to prevent undesirable artifacts. We demonstrate the usefulness of FIB to observe the internal structures of cells. Microsc. Res. Tech. 76:290–295, 2013. © 2013 Wiley Periodicals, Inc.
Expeditious syntheses of stable and radioactive isotope‐labeled anticonvulsant agent, JNJ‐26990990, and its metabolites
Authors: Lin Ronghui , Weaner Larry E. , Hoerr David C. , Salter Rhys , Gong Yong
Published: January 2013

Syntheses of stable and radioactive isotope‐labeled anticonvulsant agent, JNJ‐26990990, that is, N‐(benzo[b]thien‐3‐ylmethyl)‐sulfamide and its metabolites are described. [13C15N]Benzo[b]thiophene‐3‐carbonitrile was first prepared by coupling of 3‐bromo‐benzo[b]thiophene with [13C15N]‐copper cyanide. The resultant [13C15N]benzo[b]thiophene‐3‐carbonitrile was reduced with lithium aluminum deuteride to give [13CD215N]benzo[b]thiophen‐3‐yl‐methylamine; which was then coupled with sulfamide to afford [13CD215N]‐N‐(benzo[b]thien‐3‐ylmethyl)‐sulfamide, the stable isotope‐labeled compound with four stable isotope atoms. Direct oxidation of [13CD215N]‐N‐(benzo[b]thien‐3‐ylmethyl)‐sulfamide with hydrogen peroxide and peracetic acid gave the stable isotope‐labeled sulfoxide and sulfone metabolites. On the other hand, radioactive 14C‐labeled N‐(benzo[b]thien‐3‐ylmethyl)‐sulfamide was prepared conveniently by sequential coupling of 3‐bromo‐benzo[b]thiophene with [14C]‐copper cyanide, reduction of the carbonitrile to carboxaldehyde, and reductive amination with sulfamide.
Effect of cold storage on total phenolics content, antioxidant activity and vitamin C level of selected potato clones
Authors: Külen Oktay , Stushnoff Cecil , Holm David G
Published: January 2013

BACKGROUND

Twelve Colorado‐grown specialty potato clones were evaluated for total phenolic content, antioxidant activity and ascorbic acid content at harvest and after 2, 4, 6 and 7 months cold storage at 4 °C. Potato clones were categorized as pigmented ('CO97226‐2R/R', 'CO99364‐3R/R', 'CO97215‐2P/P', 'CO97216‐3P/P', 'CO97227‐2P/P', 'CO97222‐1R/R', 'Purple Majesty', 'Mountain Rose' and 'All Blue'), yellow ('Yukon Gold') and white fleshed ('Russet Nugget', 'Russet Burbank'). Folin–Ciocalteu reagent was used to estimate total phenolic content, and 2,2′‐azino‐bis(3‐ethylbenzothiazoline‐6‐sulfonic acid) diammonium salt (ABTS•+) and 2,2‐diphenyl‐1‐picrylhydrazyl (DPPH•) radical scavenging assays were used to estimate antioxidant capacity.

RESULTS

Pigmented potato genotypes had significantly higher total phenolic content and antioxidant activity at all data points than yellow‐ and white‐fleshed cultivars. Vitamin C content was higher in 'Yukon Gold' than in the other clones. The highest level of vitamin C in all clones was at harvest and after 2 months in cold storage. Vitamin C content in all potato clones dropped rapidly with longer intervals of cold storage. Although total phenolic content and antioxidant activity fluctuated during cold storage, after 7 months of cold storage their levels were slightly higher than at harvest. Total phenolic content was better correlated with Trolox equivalent antioxidant capacity (TEAC)/ABTS•+ than the TEAC/DPPH• radical scavenging assay.

CONCLUSION

Pigmented potato clones had significantly higher total phenolic content and antioxidant activity, while the yellow‐fleshed potato cultivar 'Yukon Gold' had significantly higher vitamin C content. Vitamin C content decreased in all potato clones during cold storage, while total phenolics increased in pigmented clones. © 2013 Society of Chemical Industry
A Prototype of Multicomponent Brand Personality Structure: A Consumption Synmbolism Approach
Authors: Lee Eun‐Jung
Published: January 2013

Brand personality (BP) in the postmodern marketplace encompasses a variety of anthropomorphized attributes associated with a brand, reflecting on a wide spectrum of social, cultural, and psychological associations capturing various aspects in everyday life stories of consumers. Most prior research onBP, however, has employed a psychology‐based approach, and has not yet fully demonstrated the concept's market‐driven scope in the contemporary brand schema. To bridge the gap between the practitioner and scholar, this study employed a consumption symbolism approach to develop a multicomponent structure ofBP. A qualitative study was conducted with 36 brands of six product/service categories (fashion/luxury, beverage, automotive, personal computer, cosmetics, and retailer) within a specific context (South Korea). The results yielded a prototype of multicomponent BP structure consisting of one psychological component (traits) and three sociocultural components (narratives of socioeconomic/life scene/physical variability). The findings of the study broaden the current understanding of BP by suggesting a multidisciplinary perspective embracing its sociocultural aspects, and by empirically demonstrating the prototype reflecting on a wide spectrum of consumer narratives.