bluuebunny/crossref_metadata_2025 huggingface dataset:
Synthesis of Benzotrifuran and Benzotripyrrole Derivatives and Molecular Orientations on the Surface and in the Solid State
Authors: Tsuji Hayato , Cantagrel Guillaume , Ueda Yasuyuki , Chen Ting , Wan Li‐Jun , Nakamura Eiichi
Published: March 2013

We developed a concise synthetic method for benzotrifurans and benzotripyrroles from 1,3,5‐triethynyl‐2,4,6‐trifluorobenzenes by one‐pot reactions in good to excellent yield. By investigating 2‐D and 3‐D structures of a variety of benzotrifuran and benzotripyrrole derivatives using scanning tunneling microscopy (STM) and single‐crystal X‐ray diffraction techniques, we found both similarities and dissimilarities. We also found that diverse molecular 3‐D orientations were derived in their single crystals according to substituents on the molecules and that the emission properties in the solid state are dependent on their packing manners.
H∞ Guaranteed Cost Control for LPV Systems Subject to The Gain Constraint
Authors: Zhao Yangyang , Yang Jianying , Lei Zhengdong
Published: March 2013

This paper deals with the problem of H∞ guaranteed cost control for linear parameter varying (LPV) systems subject to the gain constraint. Specifically, our main goal is to design a controller such that the closed‐loop system is exponentially stable with the H∞ performance index, the quadratic performance index, and the gain within the desired constraints over the entire parameter region. In order to achieve this goal, less conservative and more practical sufficient conditions for the existence of the state feedback controller are proposed by introducing the parameter dependent Lyapunov function and many extra freedom degrees in terms of linear matrix inequalities and a free parameter matrix. The parameter matrix aspecially can regulate the gain freely without the influence of the desired performance to meet the additional design criteria enhancing the practicability and the design flexibility. As a special case, relevant results are extended to design a static output feedback controller. One numerical example is used to show advantages of the proposed approach.
Consensus of Fractional‐Order Uncertain Multi‐Agent Systems Based on Output Feedback
Authors: Yin Xiuxia , Hu Songlin
Published: March 2013

This paper is devoted to the consensus protocol design for a set of agents with fractional‐order uncertainty dynamics where the fractional order α satisfies 0 < α < 2. For multi‐agent systems (MASs) with fixed undirected topology, a distributed static output feedback protocol is proposed with an undetermined system matrix. Based on model transformation and fractional‐order stability theory, sufficient conditions are derived to ensure the consensus of MASs in terms of linear matrix inequalities (LMIs). Finally, a simulation example is employed to validate the effectiveness of the proposed consensus protocol.
Robust Finite‐Time Stability and Stabilization of Linear Uncertain Time‐Delay Systems
Authors: Stojanovic Sreten B. , Debeljkovic Dragutin Lj. , Antic Dragan S.
Published: March 2013

Robust finite‐time stability and stabilization problems for a class of linear uncertain time‐delay systems are studied. The concept of finite‐time stability is extended to linear uncertain time‐delay systems. Based on the Lyapunov method and properties of matrix inequalities, a sufficient condition that ensures finite‐time stability of linear uncertain time‐delay systems is given. By virtue of the results on finite‐time stability, a memoryless state feedback controller that guarantees that the closed‐loop system is finite time stable, is proposed. The controller design problem is solved by using the linear matrix inequalities and the cone complementarity linearization iterative algorithm. Numerical examples verify the efficiency of the proposed methods.
Prenatal and Early‐Life Exposure to High‐Level Diesel Exhaust Particles Leads to Increased Locomotor Activity and Repetitive Behaviors in Mice
Authors: Thirtamara Rajamani Keerthi , Doherty‐Lyons Shannon , Bolden Crystal , Willis Daniel , Hoffman Carol , Zelikoff Judith , Chen Lung‐Chi , Gu Howard
Published: March 2013

Abundant evidence indicates that both genetic and environmental factors contribute to the etiology of autism spectrum disorders (ASDs). However, limited knowledge is available concerning these contributing factors. An epidemiology study reported a link between increased incidence of autism and living closely to major highways, suggesting a possible role for pollutants from highway traffic. We investigated whether maternal exposure to diesel exhaust particles (DEP) negatively affects fetal development leading to autism‐like phenotype in mice. Female mice and their offspring were exposed to DEP during pregnancy and nursing. Adult male offspring were then tested for behaviors reflecting the typical symptoms of ASD patients. Compared to control mice, DEP‐exposed offspring exhibited higher locomotor activity, elevated levels of self‐grooming in the presence of an unfamiliar mouse, and increased rearing behaviors, which may be relevant to the restricted and repetitive behaviors seen in ASD patients. However, the DEP‐exposed mice did not exhibit deficits in social interactions or social communication which are the key features of ASD. These results suggest that early life exposure to DEP could have an impact on mouse development leading to observable changes in animal behaviors. Further studies are needed to reveal other environmental insults and genetic factors that would lead to animal models expressing key phenotypes of the autism spectrum disorders. Autism Res 2013, ●●: ●●–●●. © 2013 International Society for Autism Research, Wiley Periodicals, Inc.
Interaction studies of muts and mutl with DNA containing the major cisplatin lesion and its mismatched counterpart under equilibrium and nonequilibrium conditions
Authors: Sedletska Yuliya , Culard Françoise , Midoux Patrick , Malinge Jean‐Marc
Published: March 2013

The DNA mismatch repair (MMR) system participates in cis‐diamminedichloroplatinum (II) (cisplatin) cytotoxicity through signaling of cisplatin DNA lesions by yet unknown molecular mechanisms. It is thus of great interest to determine whether specialized function of MMR proteins could be associated with cisplatin DNA damage. The major cisplatin 1,2‐d(GpG) intrastrand crosslink and compound lesions arising from misincorporation of a mispaired base opposite either platinated guanine of the 1,2‐d(GpG) adduct are thought to be critical lesions for MMR signaling. Previously, we have shown that cisplatin compound lesion with a mispaired thymine opposite the 3′ platinated guanine triggers new Escherichia coli MutS ATP‐dependent biochemical activities distinguishable from those encountered with DNA mismatch consistent with a role of this lesion in MMR‐dependent signaling mechanism. In this report, we show that the major cisplatin 1,2‐d(GpG) intrastrand crosslink does not confer novel MutS postrecognition biochemical activity as studied by surface plasmon resonance spectroscopy. A fast rate of MutS ATP‐dependent dissociation prevents MutL recruitment to the major cisplatin lesion in contrast to cisplatin compound lesion which authorized MutS‐dependent recruitment of MutL with a dynamic of ternary complex formation distinguishable from that encountered with DNA mismatch substrate. We conclude that the mode of cisplatin DNA damage recognition by MutS and the nature of MMR post‐recognition events are lesion‐dependent and suggest that MMR signaling through the major cisplatin lesion is unlikely to occur. © 2013 Wiley Periodicals, Inc. Biopolymers 99: 636–647, 2013.
Characterization of the melanoma brain metastatic niche in mice and humans
Authors: Amit Moran , Laider‐Trejo Leonor , Shalom Vardit , Shabtay‐Orbach Ayelet , Krelin Yakov , Gil Ziv
Published: March 2013

Brain metastases occur in 15% of patients with melanoma and are associated with a dismal prognosis. Here, we investigate the architectural phenotype and stromal reaction of melanoma brain metastasis in mice and humans. A syngeneic, green fluorescence protein (GFP)‐expressing murine B16‐F1 melanoma clone was introduced via intracardiac injection, and was examined in vivo in comparison with human specimens. Immunofluorescence analyses of the brain metastases revealed that F4/80+ macrophages/microglia were most abundant at the tumor front, but rare in its core, where they were found only around blood vessels (P = 0.01). Similar pattern of infiltration was found in CD3+ T cells (P < 0.01). Infiltrating T cells were prominently CD4+ compared with CD8+ T cells (P < 0.001). Blood vessels (CD31+) were less abundant at the tumor front than in its center (12 ± 1 vs. 4 ± 0.6 vessels per high‐power field [HPF], P < 0.001). In contrast, there were few vessels at the tumor front, but their diameter was significantly larger at the front (8236 μm2 vs. 4617 μm2 average cross‐sectional area, P < 0.005). This is the first comparative analysis of melanoma brain metastases showing similar stromal reaction in murine models and human specimens. Our results validate the utility of this murine model of melanoma brain metastases for investigating the mechanism of the human disease.
Knowledge Extraction from Catalysis of the Past: A Case of Selective CO Oxidation over Noble Metal Catalysts between 2000 and 2012
Authors: Günay M. Erdem , Yildirim Ramazan
Published: March 2013

The objective of this work is to demonstrate that some valuable knowledge can be extracted from past publications by using various data mining tools so that the continuously growing experience accumulated in the literature over the years can be used in a more effective manner. Selective CO oxidation over noble metal catalysts is chosen as a case to test the validity of this approach because a considerable number of papers were published on this subject in the last decade. Thus, 249 papers published in the last 12 years have been inspected, 80 of which were used to form a database containing 5610 data points. First, the database was analyzed by using decision tree classification to determine the conditions that lead to high CO conversion. Then, the relative importance of various catalyst preparation and operational variables for CO conversion were determined by using artificial neural networks. Finally, the database was separated into smaller clusters by using a genetic algorithm‐based clustering technique, and the data in each cluster was modeled by artificial neural networks to predict the effects of individual catalyst preparation and operational conditions on the catalytic activity. All these analyses were effective in the extraction of knowledge from the literature and the deduction of some useful trends, rules, and correlations, which are otherwise not easily comprehensible.
Sol–Gel Coordination Chemistry: Building Catalysts from the Bottom‐Up
Authors: Serrano Elena , Linares Noemi , Garcia‐Martinez Javier , Berenguer Jesús. R.
Published: March 2013

The development of synthetic routes for the tailoring of efficient silica‐based heterogeneous catalysts functionalized with coordination complexes or metallic nanoparticles has become a important goal in chemistry. Most of these techniques have been based on postsynthetic treatments of preformed silicas. Nevertheless, there is an emerging approach, so‐called sol–gel coordination chemistry, based on co‐condensation during the sol–gel preparation of the hybrid material of the corresponding complex or nanoparticle modified with terminal trialkoxysilane groups with a silica source (such as tetraethoxysilane) and in the presence of an adequate surfactant. This method leads to the production of new mesoporous metal complex‐silica materials, with the metallic functionality incorporated homogeneously into the structure of the hybrid material, improving the stability of the coordination complex (which is protected by the silica network) and reducing the leaching of the active phase. This technique also offers the actual possibility of functionalizing silica or other metal oxides for a wider range of applications, such as photonics, sensing, and biochemical functions.
Copper Versus Thioether‐Centered Oxidation: Mechanistic Insights into the Non‐Innocent Redox Behavior of Tripodal Benzimidazolylaminothioether Ligands
Authors: Martínez‐Alanis Paulina R. , Sánchez Eguía Brenda N. , Ugalde‐Saldívar Víctor M. , Regla Ignacio , Demare Patricia , Aullón Gabriel , Castillo Ivan
Published: March 2013

A series of Cu+ complexes with ligands that feature varying numbers of benzimidazole/thioether donors and methylene or ethylene linkers between the central nitrogen atom and the thioether sulfur atoms have been spectroscopically and electrochemically characterized. Cyclic voltammetry measurements indicated that the highest Cu2+/Cu+ redox potentials correspond to sulfur‐rich coordination environments, with values decreasing as the thioether donors are replaced by nitrogen‐donating benzimidazoles. Both Cu2+ and Cu+ complexes were studied by DFT. Their electronic properties were determined by analyzing their frontier orbitals, relative energies, and the contributions to the orbitals involved in redox processes, which revealed that the HOMOs of the more sulfur‐rich copper complexes, particularly those with methylene linkers (NCH2S), show significant aromatic thioether character. Thus, the theoretically predicted initial oxidation at the sulfur atom of the methylene‐bridged ligands agrees with the experimentally determined oxidation waves in the voltammograms of the NS3‐ and N2S2‐type ligands as being ligand‐based, as opposed to the copper‐based processes of the ethylene‐bridged Cu+ complexes. The electrochemical and theoretical results are consistent with our previously reported mechanistic proposal for Cu2+‐promoted oxidative CS bond cleavage, which in this work resulted in the isolation and complete characterization (including by X‐ray crystallography) of the decomposition products of two ligands employed, further supporting the novel reactivity pathway invoked. The combined results raise the possibility that the reactions of copper–thioether complexes in chemical and biochemical systems occur with redox participation of the sulfur atom.
Detection of Hg2+ and F− Ions by Using Fluorescence Switching of Quantum Dots in an Au‐Cluster–CdTe QD Nanocomposite
Authors: Paramanik Bipattaran , Bhattacharyya Santanu , Patra Amitava
Published: March 2013

A single probe of an Au nanocluster–CdTe quantum dots nanocomposite has been developed by using tripeptide‐capped CdTe quantum dots (QD) and bovine serum albumin (BSA) protein‐conjugated Au25 nanocluster (NC) for detection of both Hg2+ ion and F− ion. The formation of Au‐NC–CdTe QD nanocomposite has been confirmed by TEM, steady state and time resolved spectroscopy, CD and FTIR studies. A significant signal off (74 % PL quenching at 553 nm) phenomenon of this nanocomposite is observed in presence of 6.56×10−7 M Hg2+ ion, due to salt‐induced aggregation. However, a dramatic PL enhancement (128 %) of the Au‐NC–CdTe QD nanocomposite is observed in presence of 8.47×10−7 M F− anion. The calculated limit of detections (LOD) of Hg2+ ion concentration and F− ion concentration are found to be 9 and 117 nM, respectively, which are within the safety range set by the United States Environment Protection Agency. Thus, the simple Au‐NC–CdTe QD optical‐based sensor is very useful to detect both toxic cations and anions.
Electrospun Porous NiCo2O4 Nanotubes as Advanced Electrodes for Electrochemical Capacitors
Authors: Li Linlin , Peng Shengjie , Cheah Yanling , Teh Peifen , Wang Jin , Wee Grace , Ko Yahwen , Wong Chuiling , Srinivasan Madhavi
Published: March 2013

Novel, porous NiCo2O4 nanotubes (NCO‐NTs) are prepared by a single‐spinneret electrospinning technique followed by calcination in air. The obtained NCO‐NTs display a one‐dimensional architecture with a porous structure and hollow interiors. The effect of precursor concentration on the morphologies of the products is investigated. Due to their unique structure, the prepared NCO‐NT electrode exhibits a high specific capacitance (1647 F g−1 at 1 A g−1), excellent rate capability (77.3 % capacity retention at 25 A g−1), and outstanding cycling stability (6.4 % loss after 3000 cycles), which indicates it has great potential for high‐performance electrochemical capacitors. The desirable enhanced capacitive performance of NCO‐NTs can be attributed to the relatively large specific surface area of these porous and hollow one‐dimensional nanostructures.
Lanthanide Contraction within a Series of Asymmetric Dinuclear [Ln2] Complexes
Authors: Aguilà David , Barrios Leoní A. , Velasco Verónica , Arnedo Leticia , Aliaga‐Alcalde Núria , Menelaou Melita , Teat Simon J. , Roubeau Olivier , Luis Fernando , Aromí Guillem
Published: March 2013

A complete isostructural series of dinuclear asymmetric lanthanide complexes has been synthesized by using the ligand 6‐[3‐oxo‐3‐(2‐hydroxyphenyl)propionyl]pyridine‐2‐carboxylic acid (H3L). All complexes have the formula [Ln2(HL)2(H2L)(NO3)(py)(H2O)] (Ln=La (1), Ce (2), Pr (3), Nd (4), Sm (5), Eu (6), Gd (7), Tb (8), Dy (9), Ho (10), Er (11), Tm (12), Yb (13), Lu (14), Y (15); py=pyridine). Complexes of La to Yb and Y have been crystallographically characterized to reveal that the two metal ions are encapsulated within two distinct coordination environments of differing size. Whereas one site maintains the coordination number (nine) through the whole series, the other one increases from nine to ten owing to a change in the coordination mode of an NO3− ligand. This series offers a unique opportunity to study in detail the lanthanide contraction within complexes of more than one metal. This analysis shows that various representative parameters proportional to this contraction follow a quadratic decay as a function of the number n of f electrons. Slater’s model for the atomic radii has been used to extract, from these decays, the shielding constant of 4f electrons. The average of O⋅⋅⋅O distances within the coordination polyhedra shared by both metals and of the Ln⋅⋅⋅Ln separations follow also a quadratic decay, therefore showing that such dependence holds also for parameters that receive the contribution of two lanthanide ions simultaneously. The magnetic behavior has been studied for all nondiamagnetic complexes. It reveals the effect of the spin–orbit coupling and a weak antiferromagnetic interaction between both metals. Photoluminescent studies of all the complexes in the series reveal a single broad emission band in the visible region, which is related to the coordinated ligand. On the other hand, the Nd, Er, and Yb complexes show features in the near‐IR region due to metal‐based transitions.
Microwave‐Induced In Situ Synthesis of Zn2GeO4/N‐Doped Graphene Nanocomposites and Their Lithium‐Storage Properties
Authors: Zou Feng , Hu Xianluo , Sun Yongming , Luo Wei , Xia Fangfang , Qie Long , Jiang Yan , Huang Yunhui
Published: March 2013

Zn2GeO4/N‐doped graphene nanocomposites have been synthesized through a fast microwave‐assisted route on a large scale. The resulting nanohybrids are comprised of Zn2GeO4 nanorods that are well‐embedded in N‐doped graphene sheets by in situ reducing and doping. Importantly, the N‐doped graphene sheets serve as elastic networks to disperse and electrically wire together the Zn2GeO4 nanorods, thereby effectively relieving the volume‐expansion/contraction and aggregation of the nanoparticles during charge and discharge processes. We demonstrate that an electrode that is made of the as‐formed Zn2GeO4/N‐doped graphene nanocomposite exhibits high capacity (1463 mAh g−1 at a current density of 100 mA g−1), good cyclability, and excellent rate capability (531 mAh g−1 at a current density of 3200 mA g−1). Its superior lithium‐storage performance could be related to a synergistic effect of the unique nanostructured hybrid, in which the Zn2GeO4 nanorods are well‐stabilized by the high electronic conduction and flexibility of N‐doped graphene sheets. This work offers an effective strategy for the fabrication of functionalized ternary‐oxide‐based composites as high‐performance electrode materials that involve structural conversion and transformation.
Dimeric Rare‐Earth BINOLate Complexes: Activation of 1,4‐Benzoquinone through Lewis Acid Promoted Potential Shifts
Authors: Robinson Jerome R. , Booth Corwin H. , Carroll Patrick J. , Walsh Patrick J. , Schelter Eric J.
Published: March 2013

Reaction of p‐benzoquinone (BQ) with a series of rare‐earth metal/alkali metal/1,1′‐BINOLate (REMB) complexes (RE: La, Ce, Pr, Nd; M: Li) results in the largest recorded shift in reduction potential observed for BQ upon complexation. In the case of cerium, the formation of a 2:1 Ce/BQ complex shifts the two‐electron reduction of BQ by greater than or equal to 1.6 V to a more favorable potential. Reactivity investigations were extended to other REIII (RE=La, Pr, Nd) complexes where the resulting highly electron‐deficient quinone ligands afforded isolation of the first lanthanide quinhydrone‐type charge‐transfer complexes. The large reduction‐potential shift associated with the formation of 2:1 Ce/BQ complexes illustrate the potential of Ce complexes to function both as a Lewis acid and an electron source in redox chemistry and organic‐substrate activation.
The Study of Biological Soil Crusts: Hotspots and Prospects
Authors: Bu Chongfeng , Wu Shufang , Xie Yongsheng , Zhang Xingchang
Published: March 2013

Biological soil crusts (BSCs), which cover 35% of the continents and exceed 70% of the living cover in parts of region, play important ecological roles in the evolution of soil–water–plant systems in arid and semiarid areas. Since the 1980s, studies of BSCs have become hot topics in physical geography. By reviewing the last 30 years of study reports, the present paper proposes the following future research focus: (1) Understanding the function of BSCs in carbon and nitrogen fixation in the micro‐scale (block), monitoring its distribution patterns in the macro‐scale (region) by remote sensing technology and geographic information systems, and evaluate the role of carbon and nitrogen fixation in the whole ecological system. The response of BSCs to global climate change should also be evaluated. (2) Studying techniques for the artificial fast cultivation or restoration of BSCs, and implementing engineering propagation and application of artificial BSCs, and determining the appropriate parameters for environmental criteria, including light, temperature, soil water moisture, and fertilizer, among others. Artificial cultivation and rapid propagation techniques could present significant perspectives for engineering applications.
Biodegradability Assessment and Treatability of High Strength Complex Industrial Park Wastewater
Authors: Baban Ahmet
Published: March 2013

Industrial park wastewater (IPWW) includes complex non‐biodegradable organic compounds. A wastewater treatability study using biodegradability assessment approach was carried out for an industrial park housing mainly textile and machinery sectors. Biodegradable and inert chemical oxygen demand (COD) fractions with soluble and particulate counterparts were experimentally estimated by implementing respirometric methods. Aerobic batch test methods and oxygen uptake rate profiles were used to map kinetic parameters and COD fractions. Denitrification potential was also determined by application of anoxic batch tests. Relevant kinetic constants, stoichiometric, and design parameters were determined for biological processes. Tests were carried out for raw and physico‐chemically pre‐treated IPWW. Hence, it was aimed to assess the effects and necessity of pre‐treatment on biological processes. Biological mineralization, nitrification, and denitrification processes were also designed and tested using a bench scale continuous treatment model for pre‐treated IPWW. The sum of initial inert soluble COD fraction and production of soluble microbial products decreased about 25% for the case of pre‐treated IPWW as compared to raw IPWW. Eighty‐three percent total COD and 89% total Kjeldahl nitrogen removal efficiencies were attained for the modeling experiments of pre‐treated IPWW. Results showed the significance of pre‐treatment if complex strength industrial wastewaters are to be biologically treated.
Preparation of Nano‐Lepidocrocite and an Investigation of Its Ability to Remove a Metal Complex Dye
Authors: Sheydaei Mohsen , Aber Soheil
Published: March 2013

Lepidocrocite (γ‐FeOOH) nanoparticles were synthesized from iron(II) sulfate solution and characterized using X‐ray diffraction (XRD), transmission electron microscopy (TEM), Fourier transform‐IR (FT‐IR), nitrogen adsorption, and point of zero charge pH (pHPZC) analyses. TEM, XRD, and FT‐IR analyses proved the synthesis of nano‐lepidocrocite. Surface area and pHPZC of the synthesized lepidocrocite were 68.1 m2 g−1 and 4.8, respectively. Utilization of the synthesized lepidocrocite in the adsorption of Lanacron brown S‐GL (LBS‐GL) from aqueous solutions was investigated, and the effect of lepidocrocite dosage, pH, temperature, and contact time on this process were optimized and modeled using response surface methodology approach. The lepidocrocite dosage of 0.015 g, pH 3.5, temperature of 38°C, and contact time of 100 min were determined as optimum adsorption conditions. Isotherm and kinetics of the adsorption process were analyzed at the optimum conditions. The equilibrium data were fitted well to the Langmuir isotherm model. The maximum monolayer adsorption capacity was 528.21 mg g−1. The adsorption process was described by the pseudo‐second‐order kinetic model. Furthermore, the effect of pH on the desorption of LBS‐GL was investigated. High LBS‐GL desorption efficiency was achieved at a high pH value.
Dynamic, Mechanistic, and Thermodynamic Modeling of Zn(II) Ion Biosorption onto Zinc Sequestering Bacterium VMSDCM
Authors: Mishra Vishal , Balomajumder Chandrajit , Agarwal Vijay K.
Published: March 2013

The surface of the bacterial cells before the biosorption of Zn(II) ion has been found rough, heterogeneous, and non‐crystalline together with tremendous protrusions and negatively charged functional groups. The bacterium was characterized as rod shaped with Gram‐negative type of cell wall structure. In reaction dynamics, pseudo‐second‐order kinetics with higher linear correlation coefficient (R2) ranging between 0.97 and 0.99, lower sum of square errors (SSE) (0.035–0.081) and chi (χ2) (0.0013–0.009) provided a better explanation of sorption of Zn(II) ion on bacterium surface as compared to pseudo‐first‐order model. The removal of Zn(II) was governed by both film and intra‐particle diffusion at onset and later stage of sorption of metal ion on the surface of bacterial cells. The R2 (0.92–0.94) for intra‐particle diffusion model was quite higher with lower values of SSE (9.56–16.33) and chi (χ2) (11.26–19.65) against the Bangham's model. The positive value of ΔH (16.628 × 10−6 kJ/mol) and ΔS (5320.90 kJ/mol/K) showed that the biosorption of Zn(II) ion across liquid phase on bacterial surface was endothermic with increased randomness at solid–liquid interface. The negative values of ΔG demarcated the whole process as spontaneous in nature. In the present work, the distribution coefficient was found to be > 0.5 at various temperature ranges. At the attainment of equilibrium, the residual concentration of Zn(II) ion in liquid phase was around 0.6 mg/L, which was much below the limit described by United States Environmental Protection Agency (USEPA), i.e. 5 mg/L.
Synthesis and Structure–Activity Relationship Studies of Derivatives of the Dual Aromatase–Sulfatase Inhibitor 4‐{[(4‐Cyanophenyl)(4H‐1,2,4‐triazol‐4‐yl)amino]methyl}phenyl sulfamate
Authors: Woo L. W. Lawrence , Wood Paul M. , Bubert Christian , Thomas Mark P. , Purohit Atul , Potter Barry V. L.
Published: March 2013

4‐{[(4‐Cyanophenyl)(4H‐1,2,4‐triazol‐4‐yl)amino]methyl}phenyl sulfamate and its ortho‐halogenated (F, Cl, Br) derivatives are first‐generation dual aromatase and sulfatase inhibitors (DASIs). Structure–activity relationship studies were performed on these compounds, and various modifications were made to their structures involving relocation of the halogen atom, introduction of more halogen atoms, replacement of the halogen with another group, replacement of the methylene linker with a difluoromethylene linker, replacement of the para‐cyanophenyl ring with other ring structures, and replacement of the triazolyl group with an imidazolyl group. The most potent in vitro DASI discovered is an imidazole derivative with IC50 values against aromatase and steroid sulfatase in a JEG‐3 cell preparation of 0.2 and 2.5 nM, respectively. The parent phenol of this compound inhibits aromatase with an IC50 value of 0.028 nM in the same assay.
Real‐time simulation of biological soft tissues: a PGD approach
Authors: Niroomandi S. , González D. , Alfaro I. , Bordeu F. , Leygue A. , Cueto E. , Chinesta F.
Published: March 2013

We introduce here a novel approach for the numerical simulation of nonlinear, hyperelastic soft tissues at kilohertz feedback rates necessary for haptic rendering. This approach is based upon the use of proper generalized decomposition techniques, a generalization of PODs. Proper generalized decomposition techniques can be considered as a means of a priori model order reduction and provides a physics‐based meta‐model without the need for prior computer experiments. The suggested strategy is thus composed of an offline phase, in which a general meta‐model is computed, and an online evaluation phase in which the results are obtained at real time. Results are provided that show the potential of the proposed technique, together with some benchmark test that shows the accuracy of the method. Copyright © 2013 John Wiley & Sons, Ltd.
Context‐awareness in the deregulated electric energy market: an agent‐based approach
Authors: Capodieci Nicola , Alsina Emanuel Federico , Cabri Giacomo
Published: March 2013

Multiagent systems are commonly used for simulation of new paradigms of energy distribution. Especially when considering Smart Grids, the autonomicity deployed by goal‐driven agents implies the need for being aware of multiple aspects connected to the energy distribution context. With ‘context’, we refer to the outside world variables such as weather, stock market trends, location of the users, government actions, and so on; therefore, an architecture highly context‐aware is needed. We propose a model in which every important factor concerning the electric energy distribution is presented by modeling context‐aware agents able to identify the impact of these factors. Moreover, some tests have been performed regarding the web service integration in which agents contracting energy will automatically retrieve data to be used in adaptive and collaborative aspects; an explicative example is represented by the retrieval of weather forecasting that provides input on ongoing demand and data for the predicted availability (in case of photovoltaic or wind powered environments). Copyright © 2013 John Wiley & Sons, Ltd.
Similitude between the NGD function and filter gain behaviours
Authors: Ravelo Blaise
Published: March 2013

This paper deals with the similitude between the behaviours of linear filter gain and negative group delay (NGD) function. The transposition method of low‐pass/high‐pass, low‐pass/band‐pass and low‐pass/band‐stop NGD circuits is established. To the best of the author knowledge, it acts as the first paper devoted on the NGD function generalized theory. The introduced transform relationships simplify the synthesis of any NGD circuits from simple elementary low‐pass NGD topologies. Families of innovative NGD topologies are identified. To verify the relevance of the concept proposed, frequency‐ and time‐domain analysis results from realistic proofs of concept demonstrating the feasibility of developed NGD transforms were performed. Thanks to the NGD phenomenon, the possibility of the ultra‐wideband pulse signals propagating in time‐advance is verified. Finally, potential applications of NGD circuits are discussed. Copyright © 2013 John Wiley & Sons, Ltd.
Extensible optical access network enabling multistage protections and data aggregation based on tangent rings
Authors: Shao Qi , Gan Chaoqin , Wang Ruixue
Published: March 2013

In this paper, an extensible optical access network architecture is proposed on the basis of multiple tangent single‐fiber rings. With the proposed architecture, both multistage protections and data aggregation can be realized. Optical line terminal and remote nodes (RNs) can automatically switch to protection mode to overcome fiber failure occurring in both main ring (MR) and sub‐rings (SRs). The RNs, which are designed as tangent points, can realize wavelengths adding and dropping between MR and SRs, and they also can realize the network expansion conveniently and smoothly through adding more wavelengths. So, it is a good selection for next‐generation large‐scale access networks. Copyright © 2013 John Wiley & Sons, Ltd.
Incomplete cre‐mediated excision leads to phenotypic differences between Stra8‐iCre; Mov10l1lox/lox and Stra8‐iCre; Mov10l1lox/Δ mice
Authors: Bao Jianqiang , Ma Hsiu‐Yen , Schuster Andrew , Lin Yung‐Ming , Yan Wei
Published: March 2013

In the Cre–loxp system, expression level and activity of Cre recombinase in a Cre deleter line are critical because these determine not only the cell specificity of gene knockout (KO), but also the efficiency of Cre‐mediated excision in a specific cell lineage. Although the spatiotemporal expression pattern of a Cre transgene is usually defined upon the generation of the mouse line, the Cre excision efficiency in a specific targeted cell lineage is rarely evaluated and often assumed to be 100%. Incomplete excision can lead to highly variable phenotypes owing to mosaicism (i.e., coexistence of cells with the flox or the recombined flox allele) and this problem has long been overlooked. Here, we report that Stra8‐codon‐improved Cre recombinase (iCre), a transgenic allele expressing iCre under the control of the male germ cell‐specific Stra8 promoter, could efficiently delete one Mov10l1 flox allele in spermatogenic cells, whereas the excision was incomplete when two Mov10l1 flox alleles were present. The incomplete Cre‐mediated excision led to a testicular phenotype that was much less severe than that in the true conditional KO (inactivation, 100%) mice. Our findings suggest that it is essential to determine the efficiency of Cre excision when Cre–loxp system is used for deleting genes in a specific cell lineage and the Cre; genelox/Δ genotype should be used to evaluate phenotypes instead of Cre; genelox/lox owing to the fact that the latter usually bears incomplete deletion of the flox allele(s). genesis 51:481–490. © 2013 Wiley Periodicals, Inc.
Sex‐biases in distribution and resource use at different spatial scales in a migratory shorebird
Authors: Alves José A. , Gunnarsson Tómas G. , Potts Peter M. , Sutherland William J. , Gill Jennifer A.
Published: March 2013

In migratory species, sexual size dimorphism can mean differing energetic requirements for males and females. Differences in the costs of migration and in the environmental conditions occurring throughout the range may therefore result in sex‐biases in distribution and resource use at different spatial scales. In order to identify the scale at which sexual segregation operates, and thus the scale at which environmental changes may have sex‐biased impacts, we use range‐wide tracking of individually color‐ringed Icelandic black‐tailed godwits (Limosa limosa islandica) to quantify sexual segregation at scales ranging from the occupation of sites throughout the non‐breeding range to within‐site differences in distribution and resource use.

Throughout the range of this migratory shorebird, there is no evidence of large‐scale sex differences in distribution during the non‐breeding season. However, the sexes differ in their selection of prey types and sizes, which results in small‐scale sexual segregation within estuaries. The scale of sexual segregation therefore depends on the scale of variation in resource distribution, which, in this system, is primarily within estuaries. Sexual segregation in within‐site distribution and resource use means that local‐scale anthropogenic impacts on estuarine benthic prey communities may disproportionately affect the sexes in these migratory shorebirds.
Ecological immunology in a fluctuating environment: an integrative analysis of tree swallow nestling immune defense
Authors: Pigeon Gabriel , Bélisle Marc , Garant Dany , Cohen Alan A. , Pelletier Fanie
Published: March 2013

Evolutionary ecologists have long been interested by the link between different immune defenses and fitness. Given the importance of a proper immune defense for survival, it is important to understand how its numerous components are affected by environmental heterogeneity. Previous studies targeting this question have rarely considered more than two immune markers. In this study, we measured seven immune markers (response to phytohemagglutinin (PHA), hemolysis capacity, hemagglutination capacity, plasma bactericidal capacity, percentage of lymphocytes, percentage of heterophils, and percentage of eosinophils) in tree swallow (Tachycineta bicolor) nestlings raised in two types of agro‐ecosystems of contrasted quality and over 2 years. First, we assessed the effect of environmental heterogeneity (spatial and temporal) on the strength and direction of correlations between immune measures. Second, we investigated the effect of an immune score integrating information from several immune markers on individual performance (including growth, mass at fledging and parasite burden). Both a multivariate and a pair‐wise approach showed variation in relationships between immune measures across years and habitats. We also found a weak association between the integrated score of nestling immune function and individual performance, but only under certain environmental conditions. We conclude that the ecological context can strongly affect the interpretation of immune defenses in the wild. Given that spatiotemporal variations are likely to affect individual immune defenses, great caution should be used when generalizing conclusions to other study systems.
High‐Throughput Sequencing: A Roadmap Toward Community Ecology
Authors: Poisot Timothée , Péquin Bérangère , Gravel Dominique
Published: March 2013

High‐throughput sequencing is becoming increasingly important in microbial ecology, yet it is surprisingly under‐used to generate or test biogeographic hypotheses. In this contribution, we highlight how adding these methods to the ecologist toolbox will allow the detection of new patterns, and will help our understanding of the structure and dynamics of diversity. Starting with a review of ecological questions that can be addressed, we move on to the technical and analytical issues that will benefit from an increased collaboration between different disciplines.
Simultaneous Determination of Nickel and Cobalt Using a Solid Bismuth Vibrating Electrode by Adsorptive Cathodic Stripping Voltammetry
Authors: Alves Georgina M. S. , Magalhães Júlia M. C. S. , Soares Helena M. V. M.
Published: March 2013

A simple, fast, sensitive and greener voltammetric procedure for simultaneous analysis of nickel (Ni) and cobalt (Co) by square wave adsorptive cathodic stripping voltammetry (SW‐AdCSV) using a solid bismuth vibrating electrode is presented for the first time. The procedure enables to determine Ni together with Co, in ammonia buffer 0.1 M (pH 9.2) and in the presence of oxygen, and involves an adsorptive accumulation of metal‐dimethylglyoxime (Ni‐DMG and Co‐DMG) complexes on the electrode surface. For Ni and Co, the detection limits, obtained with 30 s of accumulation time, were 0.6 and 1.0 µg L−1, respectively. The method was free of metals (Cd2+, Cr3+, Cr6+, Cu2+, Fe3+ and Pb2+ up to 50 µg L−1, Al3+ and Mn2+ up to 500 µg L−1; Zn2+ up to 300 µg L−1) interferences up to the concentrations mentioned in brackets. The proposed method was validated for simultaneous determination of Ni and Co in a certified reference surface and river waters with good results.
Forensic drug analysis and microfluidics
Authors: Al‐Hetlani Entesar
Published: March 2013

The analysis of drugs of abuse in microfluidic devices has the potential to provide solutions to today's on‐site analysis challenges. The use of such devices has not been limited to miniaturising conventional analytical methods used routinely in forensic laboratories; new and interesting approaches have been implemented in microfluidics and benefit from the ability to control minute amounts of liquids in the small channels. The microfluidic platforms developed so far have been used successfully to carry out single or multiple analytical processes and offer a great opportunity for new technologies for on‐site drug testing.
Characterization of rhinovirus subviral A particles via capillary electrophoresis, electron microscopy and gas phase electrophoretic mobility molecular analysis: Part II
Authors: Subirats Xavier , Weiss Victor U. , Gösler Irene , Puls Christoph , Limbeck Andreas , Allmaier Günter , Kenndler Ernst
Published: March 2013

Human rhinoviruses (HRVs) are valuable tools in the investigation of early viral infection steps due to their far reaching (although still incomplete) characterization. During endocytosis, native virions first loose one of the four capsid proteins (VP4); corresponding particles sediment at 135S and were termed subviral A particles. Subsequently, the viral RNA genome leaves the viral shell giving rise to empty capsids. In continuation of our previous work with HRV serotype 2 (HRV2) intermediate subviral particles, in which we were able to discriminate by CE even between two intermediates (AI and AII) of virus uncoating, we further concentrated on the characterization of AI particles with the electrophoretic mobility of around –17.2 × 10−9 m2/Vs at 20°C. In the course of our present work we related these particles to virions as previously described at the subviral A stage of uncoating (and as such sedimenting at 135S) by determination of their protein and RNA content—in comparison to native virions AI particles did not include VP4, however, still 93% of their initial RNA content. Binding of an mAb specific for subviral particles demonstrated antigenic rearrangements on the capsid surface at the AI stage. Furthermore, we investigated possible factors stabilizing intermediates of virus uncoating. We could exclude the influence of the previously suspected so‐called contaminant of virus preparation on HRV2 subviral particle formation. Instead, we regarded other factors being part of the virus preparation system and found a dependence of AI particle formation on the presence of divalent cations.
Prediction of Equilibrium Conditions for Hydrate Formation in Binary Gaseous Systems Using Artificial Neural Networks
Authors: Moradi M. R. , Nazari K. , Alavi S. , Mohaddesi M.
Published: March 2013

The present work attempts to indicate the potential of artificial neural networks (ANN) for the fast and reliable estimation of the equilibrium conditions of single, binary, and multiple hydrocarbon gas hydrates. The ANN used in this study was a network with the tangent‐sigmoid (tansig) propagation transfer function in the hidden layer and a final layer with the linear (purelin) transfer function. The number of hidden neurons has been determined by minimizing the error of the calculation. The obtained results and the ANN model reliability were compared with other predictive methods. Results showed that the ANN method is able to reliably predict the hydrate equilibrium conditions of hydrocarbons, particularly for binary gas systems, using simple input parameters such as the weight fractions and normal boiling points of the components.
Dynamic analysis of flexible rectangular fluid containers subjected to horizontal ground motion
Authors: Hashemi S. , Saadatpour M. M. , Kianoush M. R.
Published: March 2013

In this paper, an analytical method is proposed to determine the dynamic response of 3‐D rectangular liquid storage tanks with four flexible walls, subjected to horizontal seismic ground motion. Fluid–structure interaction effects on the dynamic responses of partially filled fluid containers, incorporating wall flexibility, are accounted for in evaluating impulsive pressure. The velocity potential in which boundary conditions are satisfied is solved by the method of separation of variables using the principle of superposition. The impulsive pressure distribution is then computed. Solutions based on 3‐D modeling of the rectangular containers are obtained by applying the Rayleigh–Ritz method using the vibration modes of flexible plates with suitable boundary conditions. Trigonometrical functions that satisfy boundary conditions of the storage tank such that the flexibility of the wall is thoroughly considered are used to define the admissible vibration modes. The analysis is then performed in the time domain. Moreover, an analytical procedure is developed for deriving a simple formula that evaluates convective pressure and surface displacements in a similar rigid tank. The variation of dynamic response characteristics with respect to different tank parameters is investigated. A mechanical model, which takes into account the deformability of the tank wall, is developed. The parameters of such a model can be obtained from developed charts, and the maximum seismic loading can be predicted by means of a response spectrum characterizing the design earthquake. Accordingly, a simplified but sufficiently accurate design procedure is developed to improve code formulas for the seismic design of liquid storage tanks. Copyright © 2013 John Wiley & Sons, Ltd.
Are Adolescent Treatment Studies of Eating Disorders Utilizing Clinically Relevant Samples? A Comparison of RCT and Clinic Treatment‐Seeking Youth with Eating Disorders
Authors: Stiles‐Shields Colleen , Goldschmidt Andrea B. , Lock James , Le Grange Daniel
Published: March 2013

Objective

To assess potential selection bias in participant recruitment for randomized controlled trials (RCTs) of adolescent eating disorders (EDs), we compared participants recruited for RCTs evaluating psychosocial treatments with individuals seeking fee‐for‐service outpatient ED treatment [clinic treatment‐seeking (CTS)].

Method

Participants were 214 adolescents presenting to an outpatient ED research‐clinical program (92.1% female; M age = 15.4 ± 1.8 years). ANOVA and chi‐square tests assessed differences between CTS participants and those presenting for no‐cost treatment through RCTs. A secondary analysis compared RCT participants to participants eligible for the RCTs that opted for fee‐for‐service treatment.

Results

RCT participants had greater baseline ED and general psychopathology (p < .001); however, CTS participants were more likely to present with a comorbid psychiatric disorder (p < .05) and higher family income (p < .05).

Discussion

Results suggest that RCT participants did not have less pathology than CTS participants. While preliminary, results do not indicate a systematic population bias in selecting healthier patients for RCTs involving adolescent ED. Copyright © 2013 John Wiley & Sons, Ltd and Eating Disorders Association.