bluuebunny/crossref_metadata_2025_split huggingface dataset:
Adsorption of BTEX on Surfactant Modified Granulated Natural Zeolite Nanoparticles: Parameters Optimizing by Applying Taguchi Experimental Design Method
Authors: Seifi Laleh , Torabian Ali , Kazemian Hossein , Bidhendi Gholamreza Nabi , Azimi Ali Akbar , Nazmara Shapoor , AliMohammadi Mohammad 
Published: October 2011

AbstractIn this paper, a novel adsorbent developed by means of granulating of natural zeolite nanoparticles (i.e., clinoptilolite) was evaluated for possible removal of the petroleum monoaromatics (i.e., benzene, toluene, ethylbenzene, and xylene, BTEX). To do this, the natural zeolite was ground to produce nanosized particulate, then modified by two cationic surfactants and granulated. The effect of various parameters including temperature, initial pH of the solution, total dissolved solids (TDS), and concentration of a competitive substance (i.e., methyl tert‐butyl ether, MTBE) were studied and optimized using a Taguchi statistical approach. The results ascertained that initial pH of the solution was the most effective parameter. However, the low pH (acidic) was favorable for BTEX adsorption onto the developed adsorbents. In this study, the experimental parameters were optimized and the best adsorption condition by determination of effective factors was chosen. Based on the S/N ratio, the optimized conditions for BTEX removal were temperature of 40°C, initial pH of 3, TDS of 0 mg/L, and MTBE concentration of 100 µg/L. At the optimized conditions, the uptake of each BTEX compounds reached to more than 1.5 mg/g of adsorbents.
Parallelism, hybridism and coevolution in a multi‐level ABC‐GA approach for the protein structure prediction problem
Authors: Benitez César Manuel Vargas , Parpinelli Rafael Stubs , Lopes Heitor Silvério 
Published: October 2011

SUMMARYThis paper reports the hybridization of the artificial bee colony (ABC) and a genetic algorithm (GA), in a hierarchical topology, a step ahead of a previous work. We used this parallel approach for solving the protein structure prediction problem using the three‐dimensional hydrophobic‐polar model with side‐chains (3DHP‐SC). The proposed method was run in a parallel processing environment (Beowulf cluster), and several aspects of the modeling and implementation are presented and discussed. The performance of the hybrid‐hierarchical ABC‐GA approach was compared with a hybrid‐hierarchical ABC‐only approach for four benchmark instances. Results show that the hybridization of the ABC with the GA improves the quality of solutions caused by the coevolution effect between them and their search behavior. Copyright © 2011 John Wiley & Sons, Ltd.
Communication by identity discrimination in bio‐inspired multi‐agent systems
Authors: González‐Pardo Antonio , Varona Pablo , Camacho David , de Borja Rodriguez Ortiz Francisco 
Published: October 2011

SUMMARYNetwork communications have been widely studied in the last decades in different research fields: artificial intelligence, computer science, biology, medicine and psychology among others. Some important efforts have been carried out to analyse communication features such as overhead, connectivity or communication protocols in these areas from their own perspectives. When this problem is restricted to intelligent agents or multi‐agent systems, networks are built by a set of interconnected agents that can be software or hardware. In multi‐agent systems, communication optimization is used to improve the overall performance of the system by reducing the information sharing (i.e. number of messages or message size) between the agents. This paper analyses a scale‐free network topology of agents to solve a multi‐sorting problem. The agents use their local information as well as a bio‐inspired identity discrimination process to select only those messages that are relevant for each agent to solve jigsaw puzzles. We provide a comprehensive study on the influence of some essential parameters (memory information size and reconnection probability) in an agent network, and how they can be set to obtain a better performance in the system. The experiments show that this strategy contributes to reduce the number of iterations needed to solve the problem. Copyright © 2011 John Wiley & Sons, Ltd.
Experiences in building and scaling an enterprise application on multicore systems
Authors: Seelam Seetharami , Liu Yanbin , Dube Parijat , Ito Megumi , Binay Deniz , Dawson Michael , Nagaraja Pramod , Johnson Graeme , Fong Liana , Hack Michel , Meng Xiaoqiao , Gao Yuqing , Zhang Li 
Published: October 2011

SUMMARYEven though Java is the de facto programming language for enterprise applications, there exist only a limited number of Java‐based benchmarks to understand the performance on emerging multicore systems. To bridge this gap, this paper presents a report generation benchmark that is developed on top of Open Source Apache Geronimo's DayTrader benchmark. Report generation and rendering is at the heart of many enterprise business analytics and business intelligence software products, and it is used by many enterprise applications. We evaluate the performance scalability of this benchmark on a state‐of‐the‐art Power7 multicore system with 8 Power7 cores and 32 hardware threads. The benchmark throughput scales linearly up to eight hardware threads, but beyond that point, the throughput falls sharply. Significant locking in the Java class libraries for non‐shared objects results in this performance drop. Splitting the locks on these shared classes results in near linear scaling from eight to 32 threads and improved the throughput by 80%. We also show that the Linux operating system load balancing could result in a degraded application performance in hardware multithreaded systems and simultaneous‐multithreads‐aware task scheduling results in uniform core‐resource utilization as well as improved application performance. Copyright © 2011 John Wiley & Sons, Ltd.
On the Nature of the Stabilization of Benzene⋅⋅⋅Dihalogen and Benzene⋅⋅⋅Dinitrogen Complexes: CCSD(T)/CBS and DFT‐SAPT Calculations
Authors: Munusamy Elango , Sedlak Robert , Hobza Pavel 
Published: October 2011

AbstractThe structure and stabilization energies of benzene (and methylated benzenes)⋅⋅⋅X2(X=F, Cl, Br, N) complexes were investigated by performing CCSD(T)/complete basis set limit and density functional theory/symmetry‐adapted perturbation theory (DFT‐SAPT) calculations. The global minimum of the benzene⋅⋅⋅dihalogen complexes corresponds to the T‐shaped structure, whereas that of benzene⋅⋅⋅dinitrogen corresponds to the sandwich one. The different binding motifs of these complexes arise from the different quadrupole moments of dihalogens and dinitrogen. The different sign of the quadrupole moments of these diatomics is explained based on the electrostatic potential (ESP). Whereas all dihalogens, including difluorine, possess a positive σ hole, such a positive area of the ESP is completely missing in the case of dinitrogen. Moreover, benzene⋅⋅⋅X2(X=Br, Cl) complexes are stronger than benzene⋅⋅⋅X2(X=F, N) complexes. When analyzing DFT‐SAPT electrostatic, dispersion, induction, andδ(Hartree–Fock) energies, we recapitulate that the former complexes are stabilized mainly by dispersion energy, followed by electrostatic energy, whereas the latter complexes are stabilized mostly by the dispersion interaction. The charge‐transfer energy of benzene⋅⋅⋅dibromine complexes, and surprisingly, also of methylated benzenes⋅⋅⋅dibromine complexes is only moderate, and thus, not responsible for their stabilization. Benzene⋅⋅⋅dichlorine and benzene⋅⋅⋅dibromine complexes can thus be characterized merely as complexes with a halogen bond rather than as charge‐transfer complexes.
Impurity induced structural phase transformations in melt grown single crystals of lead iodide
Authors: Chaudhary S. K. , Kaur H. 
Published: October 2011

AbstractLead iodide is a wide‐band gap and highly resistive semiconductor considered to be a promising room temperature nuclear detector. The phenomenon of polytypism is posing interesting problems of phase transformations among its polytypic modifications and formation of polytypic admixture during growth due to native impurities. Transformations have also been observed even when the material is stored for few months that causes deterioration in functioning of the PbI2 devices. Lead iodide has been purified and single crystals were grown using zone‐refining system. The observed phase transformations during growth and storage have been explained in the light of distortion of [PbI6]4‐ octahedron due to impurities present in the material and the known crystal structures of PbI2. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
CD80 (B7.1) is expressed on both malignant B cells and nonmalignant stromal cells in non‐Hodgkin lymphoma
Authors: Dakappagari Naveen , Ho Steffan N. , Gascoyne Randy D. , Ranuio Julie , Weng Andrew P. , Tangri Shabnam 
Published: October 2011

AbstractBackground:CD80 is a member of the B7 family of immune coregulatory proteins that mediate both immune activation and suppression. CD80 in particular has recently been shown to play an important role in supporting immune suppression through interactions with B7‐H1. CD80 has been identified as a therapeutic target in non‐Hodgkin lymphoma (NHL) based on limited immunohistochemical studies of CD80 expression. Clinical studies have shown that the anti‐CD80 antibody galiximab is safe and clinically efficacious in follicular NHL. However, the mechanisms through which targeting CD80 inhibits tumor progression remain poorly understood.Methods:To further define the potential of CD80 as a therapeutic target in NHL, CD80 expression was evaluated by multicolor flow cytometric analysis of primary lymphoma cell suspensions generated from 241 diagnostic biopsies of patients with NHL.Results:CD80 was expressed on malignant B cells in essentially all cases of follicular lymphoma (97%; n = 115), the majority of cases of diffuse large B‐cell lymphoma (90%; n = 69), marginal zone lymphoma (91%; n = 22), mantle cell lymphoma (75%; n = 12), and in about half of small lymphocytic lymphoma cases (43%; n = 23). CD80 was also present on tumor‐infiltrating T lymphocytes in nearly all cases. Additionally, CD80 was expressed by non‐B, non‐T cells in 68 and 44% of cases of follicular and diffuse large B‐cell NHL, respectively.Conclusions:CD80 is expressed on both malignant cells and the nonmalignant cells in NHL. Therapeutic targeting of CD80 will therefore modulate the complex intercellular interactions that define the tumor microenvironment in NHL. © 2011 International Clinical Cytometry Society
Determination of acetylcholinesterase activity by the Ellman assay: A versatile tool for in vitro research on medical countermeasures against organophosphate poisoning
Authors: Worek Franz , Eyer Peter , Thiermann Horst 
Published: October 2011

ABSTRACTInhibition of acetylcholinesterase (AChE) is the main mechanism of action of organophosphorus compounds (OP), and AChE reactivators (oximes) are at present the only causal therapeutic approach. Being the key target of OP toxicity, AChE may serve as a valuable tool for diagnosis of OP exposure as well as for the investigation of the kinetics of interactions between OP and oximes. At present, the rapid, simple, and cheap spectrophotometric Ellman assay is widely used for diagnosis, therapeutic monitoring and in vitro kinetic investigations. Application of the assay for investigation of the interactions between AChE, inhibitors, and oximes requires the consideration of potential matrix effects (e.g. hemoglobin), side reactions (e.g. oximolysis of substrate) and other determinants (e.g. pH, temperature). By taking these factors into account, the Ellman assay allows the precise and reproducible determination of kinetic constants as a basis for the understanding of toxic OP effects and for the development of improved therapies against poisoning by OP. In addition, advanced applications of the Ellman assay, for example, in a dynamic in vitro model for the real‐time activity determination of membrane‐bound AChE, enables the proper investigation of relevant tissue, primarily respiratory muscle, and extends the applicability of this method. Copyright © 2011 John Wiley & Sons, Ltd.
pangolin expression influences the development of a morphological novelty: Beetle horns
Authors: Wasik Bethany R. , Moczek Armin P. 
Published: October 2011

AbstractMorphological diversity arises during development through the actions and interactions of diverse developmental pathways. Among those, the Wnt pathway is known to contribute to diverse developmental processes such as segmentation and the morphogenesis of appendages. Here, we characterize a transcription factor in the Wnt pathway, pangolin (pan), to investigate the role of Wnt signaling in the development of evolutionarily novel body structures: the horns of beetles. Beetle horns are highly diverse in size, shape, and number and develop principally from two major body regions: the head and prothorax. We investigate horns in two species of the genus Onthophagus using comparative in situ hybridization, larval RNA interference, and allometric measurements to analyze whether horn formation is regulated by pan and by extension the Wnt pathway. Our results illustrate that pan expression affects beetle horn growth in a species‐, sex‐, and location‐specific manner in two morphologically distinct, yet closely‐related, Onthophagus species. genesis 50:404–414, 2012. © 2011 Wiley Periodicals, Inc.
Open‐Framework Beryllium Phosphites with Layered Structures
Authors: Wang Jianli , Luo Daibing , Luo Xiuchao , Chen Yaoqiang , Lin Zhien 
Published: October 2011

AbstractThree new beryllium phosphite solids, H2dabco·Be3(HPO3)4·H2O (1), H2aep·Be3(HPO3)4·2H2O (2), and (H4teta)0.5·Be2(HPO3)3 (3), have been synthesized and structurally characterized. Compound 1 exhibits a layered structure with eight‐ring windows. It has a 44 grid topology by regarding the Be3(HPO3)4 cluster as a 4‐connected node in the network. Compound 2 possesses a similar layered structure as that of compound 1. The presence of one‐dimensional water chains within its interlayer regions is noteworthy. Compound 3 has a different layered structure with large 12‐ring windows. The three compounds represent the first examples of open‐framework beryllium phosphites with layered structures.
Reactance, the self, and its group: When threats to freedom come from the ingroup versus the outgroup
Authors: Graupmann Verena , Jonas Eva , Meier Ester , Hawelka Stefan , Aichhorn Markus 
Published: October 2011

AbstractWe investigated the assumption that independent versus interdependent self‐construals yield different manifestations of psychological reactance in different group contexts. We expected collectivists (interdependent) to value the collective freedom of an ingroup more in face of an outgroup threat than individualists (independent) who should be protective of their individual freedom especially within an ingroup. In Study 1, we showed that collectivists (Taiwanese students) did not show reactance when a threat to their freedom of choice originated in the ingroup, but they did show reactance when it originated in an outgroup. In Study 2, Austrian students showed more reactance the more interdependent their self‐construal was when confronted with an outgroup restriction. However, the more independent Austrian students' self‐construal was, the more reactance they showed when the threat came from the ingroup. Priming an independent (versus interdependent) self‐construal in Study 3, we again observed more reactance when freedom was restricted by the ingroup. The findings underline the importance of understanding psychological reactance as a socially situated phenomenon. Copyright © 2011 John Wiley & Sons, Ltd.
Preparative‐scale isoelectric trapping by recursive electrophoresis in a compartmentalized system having orthogonal primary and secondary pH gradients. Part 1 – Construction and standard operation
Authors: North Robert Y. , Vigh Gyula 
Published: October 2011

AbstractThe performance of the current preparative‐scale isoelectric trapping systems is limited by the serial arrangement of the separation compartments. A new system has been developed that achieves trapping by recursive electrophoresis in a compartmentalized system (T‐RECS). T‐RECS features (i) parallel‐connected elementary separation heads with independent electrode compartments, feed compartments, and harvest compartments, (ii) orthogonal primary pH gradients and secondary pH gradients, (iii) directionally controlled convective analyte transport along the primary (resolving) pH gradients, and (iv) electrophoretic analyte transport along the secondary (harvesting) pH gradients. The operation of T‐RECS has been quantitatively characterized via separation of small molecule ampholytes.
A multivariate approach for the determination of isoelectric point of human carbonic anhydrase isoforms by capillary isoelectric focusing
Authors: Lecoeur Marie , Goossens Jean‐François , Vaccher Claude , Bonte Jean‐Paul , Foulon Catherine 
Published: October 2011

AbstractHuman carbonic anhydrase (hCA) IX and XII are isoenzymes which are highly overexpressed in many cancer types. Recently, it has been shown that hCA IX contributes to the acidification of the tumor environment leading to chemoresistance with basic antitumoral drugs. The development of selective hCA inhibitors constitutes a new therapeutic axis. In order to elucidate the specific interactions between hCA and inhibitors, physico‐chemical properties of hCA must be evaluated. This work reports the determination of the isoelectric point (pI) of a series of hCA isoforms by capillary isoelectric focusing. First, the method was optimized with synthetic UV‐detectable pI markers using a central composite design. The separation was performed in a fused‐silica capillary chemically derivatized with hydroxypropylcellulose and using a glycerol–water medium as the anticonvective gel. Three main factors (ampholyte content, focusing time and mobilization pressure) were optimized in order to obtain the best resolution, detection threshold and precision on the pI determination. Then, the model was validated through the analysis of standard proteins mixture having known pI values, before investigating the pI of hCA isoforms.
Effects of chronic nanoparticulate silver exposure to adult and juvenile sheepshead minnows (Cyprinodon variegatus)
Authors: Griffitt Robert J. , Brown-Peterson Nancy J. , Savin Daniel A. , Manning C. Steve , Boube Idrissa , Ryan R.A. , Brouwer Marius 
Published: October 2011

Abstract
The use of nanoparticulate silver (AgNP) is increasingly widespread and recently has been shown to have a plausible release route into aquatic environments. To date, relatively little research has examined the effects of AgNP on estuarine fish. The authors present data indicating that chronic exposure to low levels of AgNP induces significant adverse effects in both juvenile and adult sheepshead minnows (Cyprinodon variegarus; SHMs). Chronic exposure to low levels of AgNP produced significant increases in tissue burdens in both juvenile and adult SHMs, resulting in significant thickening of epithelia gill tissue and in dramatically altered gene expression profiles. The results do not appear to be attributable to the release of silver ions through particle dissolution. The alteration in gene expression was greatest in adult gonads, but no evidence of AgNP-related dysfunction was found at the tissue level. In contrast, the authors found a significant effect on gill morphology, but very little evidence of effect on gill transcription profiles. Environ. Toxicol. Chem. 2012;31:160–167. © 2011 SETAC
Production and consumption of reactive oxygen species by fullerenes
Authors: Kong Lingjun , Zepp Richard G. 
Published: October 2011

Abstract
Reactive oxygen species (ROS) are one of the most important intermediates in chemical, photochemical, and biological processes. To understand the environmental exposure and toxicity of fullerenes better, the production and consumption of ROS (singlet oxygen, superoxide, hydrogen peroxide, and hydroxyl radicals) by Buckminster fullerene (C60) and fullerenol were investigated in aqueous systems. Fullerenol exhibits higher photoproduction efficiency of singlet oxygen and superoxide than aqueous suspensions of C60 aggregates (aqu/nC60), and this higher efficiency results in higher steady-state concentrations of these two ROS. Transmission electron microscopy indicates that the C60 molecules in aqu/nC60 are much more closely packed than the C60 cages in fullerenol. These observations provide additional evidence that the lower ROS production efficiency of aqu/nC60 is attributable primarily to efficient self-quenching of C60 triplet states. Production of singlet oxygen by aqu/nC60 is accelerated by increasing oxygen concentration and in part is sensitized by fluorescent photoproducts that accumulate during irradiation. The fullerenes react slowly with singlet oxygen (second-order rate constant &lt;4 × 105 M−1 s−1), but react rapidly with hydroxyl radicals (second-order rate constants of 5.4 × 109 and 4 × 108 M−1 s−1 for aqu/nC60 and fullerenol, respectively). These results show that environmental conditions, including light exposure and oxygen concentration, have the potential to impact the generation of toxic ROS by fullerenes. Environ. Toxicol. Chem. 2012;31:136–143. © 2011 SETAC
Adsorption and desorption of bivalent metals to hematite nanoparticles
Authors: Grover Valerie A. , Hu Jinxuan , Engates Karen E. , Shipley Heather J. 
Published: October 2011

Abstract
The use of commercially prepared hematite nanoparticles (37.0 nm) was studied as an adsorbent in the removal of Cd(II), Cu(II), Pb(II), and Zn(II) from aqueous solutions. Single-metal adsorption was studied as a function of metal and adsorbent concentrations, whereas binary metal competition was found to be dependent on the molar ratio between the competing metals. Competitive effects indicated that Pb had strong homogenous affinity to the nanohematite surface, and decreased adsorption of Cd, Cu, and Zn occurred when Pb was present in a binary system. Metal adsorption strength to nanohematite at pH 6.0 increased with metal electronegativity: Pb &gt; Cu &gt; Zn ∼ Cd. Equilibrium modeling revealed that the Langmuir–Freundlich composite isotherm adequately described the adsorption and competitive effects of metals to nanohematite, whereas desorption was best described by the Langmuir isotherm. The desorption of metals from nanohematite was found to be pH dependent, with pH 4.0 &gt; pH 6.0 &gt; pH 8.0, and results showed that greater than 65% desorption was achieved at pH 4.0 within three 24-h cycles for all metals. Environ. Toxicol. Chem. 2012;31:86–92. © 2011 SETAC
Behaviour of limecrete under fire conditions
Authors: Cachim Paulo Barreto , Morais Miguel M. , Coroado João , Lopes Nuno , Velosa Ana L. 
Published: October 2011

SUMMARYHydraulic lime concrete (limecrete) is a material that has a lower environmental impact than that of ordinary Portland cement (OPC) concrete and, consequently, may be increasingly used in some construction applications. Because of its reduced strength, pozzolanic materials, such as metakaolin, are commonly used to improve its strength and durability. Simultaneously, to the increased interest in more sustainable materials, the fire behaviour of materials has also deserved an increased attention during the last years because of some important disasters that occurred.In this study, the fire behaviour of limecrete has been investigated. To increase limecrete performance, hydraulic lime has been replaced by metakaolin in different percentages. Fire tests at different temperatures (200, 400, 600 and 830°C) and different durations (30 and 60 min) have been performed and the residual strength and chemical changes using X‐ray powder diffraction and thermogravimetric analysis techniques were investigated. It became apparent that a 20% replacement of hydraulic lime by metakaolin leads to an improved performance at room temperature and fire loading. Copyright © 2011 John Wiley & Sons, Ltd.