bluuebunny/crossref_metadata_2025_split huggingface dataset:
An e‐Science data infrastructure for simulations within Grid computing environment: methods, approaches and practice
Authors: Yang Xiaoyu , Dove Martin T. , Bruin Richard P. , Walkingshaw Andrew , Sinclair Richard , Wilson Dan J. , Murray‐Rust Peter 
Published: June 2012

SUMMARYGrid‐based simulation usually involves large quantities of data at each stage of the simulation process. These data include simulation input and output files, intermediate results files, log and error files, associated metadata, and information capturing the processes that generate the data. The question of how to effectively store and manage data files within a Grid computing environment is increasingly becoming an important issue. This paper illustrates how we built a lightweight e‐Science infrastructure for data management within a Grid computing environment, including the integration of data curation activities into the entire Grid‐based simulation process. Rather than focusing on specific implementation details, we aim to identify the key issues and research challenges, describing how various existing technologies and tools can be best integrated to address these requirements and challenges. Although the case of quantum mechanical simulation of materials properties is used in the paper, much of the discussion is as generic as possible so that approaches, methods and practice (e.g. integrated approach, workflow taxonomy and development approach, simple but useful semantic annotation approach) can be applied to wider domains and disciplines to facilitat the digital research. A comparison between our approach and Cloud computing, and lessons learned in data management within the Grid computing environment, are also presented. Copyright © 2012 John Wiley & Sons, Ltd.
Denial of service mitigation approach for IPv6‐enabled smart object networks
Authors: Oliveira Luís M. L. , Rodrigues Joel J. P. C. , de Sousa Amaro F. , Lloret Jaime 
Published: June 2012

SUMMARYDenial of service (DoS) attacks can be defined as any third‐party action aiming to reduce or eliminate a network's capability to perform its expected functions. Although there are several standard techniques in traditional computing that mitigate the impact of some of the most common DoS attacks, this still remains a very important open problem to the network security community. DoS attacks are even more troublesome in smart object networks because of two main reasons. First, these devices cannot support the computational overhead required to implement many of the typical counterattack strategies. Second, low traffic rates are enough to drain sensors' battery energy making the network inoperable in short times. To realize the Internet of Things vision, it is necessary to integrate the smart objects into the Internet. This integration is considered an exceptional opportunity for Internet growth but, also, a security threat, because more attacks, including DoS, can be conducted. For these reasons, the prevention of DoS attacks is considered a hot topic in the wireless sensor networks scientific community. In this paper, an approach based on 6LowPAN neighbor discovery protocol is proposed to mitigate DoS attacks initiated from the Internet, without adding additional overhead on the 6LoWPAN sensor devices.Copyright © 2012 John Wiley & Sons, Ltd.
Incorporating structural improvement into resource allocation for business process execution planning
Authors: Xu Jiajie , Liu Chengfei , Zhao Xiaohui , Ding Zhiming 
Published: June 2012

SUMMARYResource management has been recognised as an important topic for business process execution for a long time. Most existing works on resource allocation for business processes simply assume that the structure of a business process is always fixed, and therefore do not discuss the possibility of optimising resource allocation by adapting process structures to actual resource situations. To fill this gap, we propose a resource optimisation approach of improving process structures according to resource situations and thereby pursuing the best resource utilisation efficiency. This approach comprises a role‐based business process model for resource allocation and the strategies for optimising resource allocation in conjunction with a business process improvement. A set of heuristic rules are established to guide the resource allocation for the purposes of preventing resource conflicts, shortening the total execution time, minimising the total cost, etc. Particular algorithms are also developed to implement the resource allocation according to these rules. In addition, an experimental study is conducted to discuss the incorporation of business process improvement into resource allocation for optimal process execution. Copyright © 2012 John Wiley & Sons, Ltd.
Reactions of Doubly Ionized Benzene with Nitrogen and Water: A Nitrogen‐Mediated Entry into Superacid Chemistry
Authors: Shaffer Christopher J. , Schröder Detlef , Alcaraz Christian , Žabka Ján , Zins Emilie‐Laure 
Published: June 2012

AbstractEven in the highly diluted gas phase, rather than electron transfer the benzene dication C6H62+ undergoes association with dinitrogen to form a transient C6H6N22+ dication which is best described as a ring‐protonated phenyl diazonium ion. Isotopic labeling studies, photoionization experiments using synchrotron radiation, and quantum chemical computations fully support the formation of protonated diazonium, which is in turn a prototype species of superacidic chemistry in solution. Additionally, reactions of C6H62+ with background water involve the transient formation of diprotonated phenol and, among other things, afford a long‐lived C6H6OH22+ dication, which is attributed to the hydration product of Hogeveen’s elusive pyramidal structure of C6H62+, as the global minimum of doubly ionized benzene. Nitrogen is essential for the formation of the C6H6OH22+ dication in that it mediates the formation of the water adduct, while the bimolecular encounter of the C6H62+ dication with water only leads to (dissociative) electron transfer.
Organic Solid‐State Fluorescence: Strategies for Generating Switchable and Tunable Fluorescent Materials
Authors: Anthony Savarimuthu Philip 
Published: June 2012

AbstractOrganic fluorescent materials have been an integral part of recently emerged optoelectronic device technologies owing to their good photophysical properties such as high quantum yields and significant photostability. In particular, switchable and tunable solid‐state fluorescence has attracted increasing attention in recent years both in the field of fundamental research and industrial applications. Unlike in solution, fluorescence in the solid state is a collective phenomenon of molecules that are commonly modulated through controlling molecular packing and the electronic conjugation of fluorophores. Several strategies, including chemical modification, have been developed to alter the fluorophore molecular arrangement in the solid state. This Review article describes the various strategies that have been effectively utilised to achieve switchable and tunable fluorescence in the organic solid state.
Monodisperse Iron Phosphate Nanospheres: Preparation and Application in Energy Storage
Authors: Zhao Junmei , Jian Zelang , Ma Jie , Wang Fuchun , Hu Yong‐Sheng , Chen Wen , Chen Liquan , Liu Huizhou , Dai Sheng 
Published: June 2012

AbstractAn approach to synthesize monodisperse nanospheres with nanoporous structure through a solvent extraction route using an acid–base‐coupled extractant has been developed. The nanospheres form through self‐assembly and templating by reverse micelles in the organic solvent extraction systems. More importantly, the used extractant in this route can be recycled. The power of this approach is demonstrated by the synthesis of monodisperse iron phosphate nanospheres, exhibiting promising applications in energy storage. The synthetic parameters have been optimized. Based on this, a possible formation mechanism is also proposed. The synthetic procedure is relatively simple and could be extended to synthesize other water‐insoluble inorganic metal salts.
Infancy predictors of preschool and post‐kindergarten executive function
Authors: Kraybill Jessica H. , Bell Martha Ann 
Published: June 2012

AbstractLittle is known about factors that promote optimal development of executive function (EF) skills. The focus of this study was associations among early maternal behaviors, infant frontal brain electrical activity, and child EF at age 4 and following kindergarten. Infant frontal electroencephalogram was collected from 56 infants at 10 months of age and maternal positive affect was observed. Children completed EF measures in the research laboratory at age 4; parental‐reported EF was obtained following children's kindergarten year. Maternal positive affect and infant frontal brain electrical activity measured when the children were 10 months jointly and uniquely predicted both preschool and post‐kindergarten EF. Findings suggest parenting behavior and brain development in infancy are precursors of later self‐regulatory EF abilities. © 2012 Wiley Periodicals, Inc. Dev Psychobiol 55: 530–538, 2013
Timing and kinetics of E‐ to N‐cadherin switch during neurulation in the avian embryo
Authors: Dady Alwyn , Blavet Cedrine , Duband Jean‐Loup 
Published: June 2012

AbstractBackground: During embryonic development, cadherin switches are correlated with tissue remodelings, such as epithelium‐to‐mesenchyme transition (EMT). An E‐ to N‐cadherin switch also occurs during neurogenesis, but this is not accompanied with EMT. The biological significance of this switch is currently unknown. Results: We analyzed the timing and kinetics of the E‐ to N‐cadherin switch during early neural induction and neurulation in the chick embryo, in relation to the patterns of their transcriptional regulators. We found that deployment of the E‐ to N‐cadherin switch program varies considerably along the embryonic axis. Rostrally in regions of primary neurulation, it occurs progressively both in time and space in a manner that appears neither in connection with morphological transformation of neural epithelial cells nor in synchrony with movements of neurulation. Caudally, in regions of secondary neurulation, neurogenesis was not associated with cadherin switch as N‐cadherin pre‐existed before formation of the neural tube. We also found that, during neural development, cadherin switch is orchestrated by a set of transcriptional regulators distinct from those involved in EMT. Conclusions: Our results indicate that cadherin switch correlates with the partition of the neurectoderm into its three main populations: ectoderm, neural crest, and neural tube. Developmental Dynamics 241:1333–1349, 2012. © 2012 Wiley Periodicals, Inc.
Climatic niche shift predicts thermal trait response in one but not both introductions of the Puerto Rican lizard Anolis cristatellus to Miami, Florida, USA
Authors: Kolbe Jason J. , VanMiddlesworth Paul S. , Losin Neil , Dappen Nathan , Losos Jonathan B. 
Published: June 2012

AbstractGlobal change is predicted to alter environmental conditions for populations in numerous ways; for example, invasive species often experience substantial shifts in climatic conditions during introduction from their native to non‐native ranges. Whether these shifts elicit a phenotypic response, and how adaptation and phenotypic plasticity contribute to phenotypic change, are key issues for understanding biological invasions and how populations may respond to local climate change. We combined modeling, field data, and a laboratory experiment to test for changing thermal tolerances during the introduction of the tropical lizard Anolis cristatellus from Puerto Rico to Miami, Florida. Species distribution models and bioclimatic data analyses showed lower minimum temperatures, and greater seasonal and annual variation in temperature for Miami compared to Puerto Rico. Two separate introductions of A. cristatellus occurred in Miami about 12 km apart, one in South Miami and the other on Key Biscayne, an offshore island. As predicted from the shift in the thermal climate and the thermal tolerances of other Anolis species in Miami, laboratory acclimation and field acclimatization showed that the introduced South Miami population of A. cristatellus has diverged from its native‐range source population by acquiring low‐temperature acclimation ability. By contrast, the introduced Key Biscayne population showed little change compared to its source. Our analyses predicted an adaptive response for introduced populations, but our comparisons to native‐range sources provided evidence for thermal plasticity in one introduced population but not the other. The rapid acquisition of thermal plasticity by A. cristatellus in South Miami may be advantageous for its long‐term persistence there and expansion of its non‐native range. Our results also suggest that the common assumption of no trait variation when modeling non‐native species distributions is invalid.
Synthesis of α‐Amino Acids through Samarium(II) Iodide Promoted Reductive Coupling of Nitrones with CO2
Authors: Prikhod'ko Alexander , Walter Olaf , Zevaco Thomas A. , Garcia‐Rodriguez Jaime , Mouhtady Omar , Py Sandrine 
Published: June 2012

AbstractSeveral N‐benzylnitrones reacted with carbon dioxide in the presence of samarium(II) iodide leading to α‐amino acids as the products of reductive C–C coupling. The best selectivities were observed at a carbon dioxide pressure of 50 bar at ambient temperature. The influences of different functional groups in the nitrone backbone and of the coordinating additives to samarium(II) iodide on the product distribution were investigated. The racemic α‐amino acids were obtained in up to 70 % yield based on HPLC data.
Diversity Oriented Approach to Polycyclic Compounds through the Diels–Alder Reaction and the Suzuki Coupling
Authors: Kotha Sambasivarao , Misra Shilpi , Srinivas Venu 
Published: June 2012

AbstractA diversity oriented strategy has been demonstrated to deliver small “drug like” molecules using alkylation, Diels–Alder reaction, and Suzuki–Miyaura cross‐coupling as key steps. This methodology allows access a wide range of molecules using simple scaffolds such as indanes, tetralins and tetrahydroisoquinolines, which can enhance the chemical space for potential therapeutic molecules.
Complexation of p‐Sulfonatocalixarenes with Local Anaesthetics Guests: Binding Structures, Stabilities, and Thermodynamic Origins
Authors: Li Qian , Guo Dong‐Sheng , Qian Hai , Liu Yu 
Published: June 2012

AbstractThe binding geometries, abilities and thermodynamic parameters for the intermolecular complexation of three water‐soluble p‐sulfonatocalix[n]arenes (SCnAs), p‐sulfonatocalix[4]arene (SC4A), p‐sulfonatocalix[5]arene (SC5A), andp‐sulfonatothiacalix[4]arene (STC4A), with five local anesthetics (LA), procaine, tetracaine, lidocaine, dibucaine, and procainamide, have been determined by means of 1H NMR spectroscopy, X‐ray crystallography, and isothermal titration calorimetry (ITC). The obtained results show that the complexation of SCnAs with LA guests shows unappreciable guest selectivity, but regular host selectivity: SC4A > SC5A > STC4A for each guest. A large difference in the enthalpy term is responsible for the decrease in the stability constants. The intrinsic relationship between binding structures and host selectivities were comprehensively analyzed and discussed from the viewpoint of thermodynamics. Furthermore, the complexation of SC4A towards LA guests were compared with other macrocyclic hosts, β‐cyclodextrin and cucurbit[7]uril.
Slope control on the frequency distribution of shallow landslides and associated soil properties, North Island, New Zealand
Authors: De Rose Ronald C. 
Published: June 2012

ABSTRACTThe extrapolation of results from field trials to larger areas of land for purposes of regional impact assessment is an important issue in geomorphology, particularly for landform properties that show high stochastic variability in space and time, such as shallow landslide erosion. It is shown in this study, that by identifying the main driver for spatial variability in shallow landslide erosion at field scales, namely slope angle, it is possible to develop a set of generic functions for assessing the impact of landslides on selected soil properties at larger spatial scales and over longer time periods.Research was conducted within an area of pastoral soft‐rock Tertiary hill country in the North Island of New Zealand that is subject to infrequent high intensity rainfall events, producing numerous landslides, most of which are smaller than several hundred square metres in size and remove soil to shallow depths. All landslides were mapped within a 0·6 km2 area and registered to a high resolution (2 m) slope map to show that few landslides occur on slopes < 20° and 95% were on slopes > 24°. The areal density of landslides from all historical events showed an approximately linear increase with slope above 24°.Integrating landslide densities with soil recovery data demonstrates that the average value of a soil property fluctuates in a ‘saw‐tooth’ fashion through time with the overall shape of the curve controlled by the frequency of landslide inducing storm events and recovery rate of the soil property between events. Despite such fluctuations, there are gradual declines of 7·5% in average total carbon content of topsoil and 9·5% in average soil depth to bedrock, since the time of forest clearance. Results have application to large‐scale sediment budget and water quality models and to the New Zealand Soil Carbon Monitoring System (CMS). Copyright © 2012 John Wiley & Sons, Ltd.
Youth participation in evaluation: The Pró‐Menino Program in Brazil
Authors: Braga Brandão Daniel , Renato Silva Rogério , Codas Renata 
Published: June 2012

AbstractThis chapter reports a participatory evaluation conducted in Brazil, where youngsters with life pathways marked by involvement in crime, and therefore included in social programs, were invited to be the evaluation team of the program. The experience provokes reflections on new technical and ethical challenges in the evaluation process. The authors also present a new methodological proposal for the field of qualitative investigations created exclusively for this evaluation, called FRAMES (QUADROS), which is inspired by comic books. The broad ethical frame is a positive “capabilities” approach to evaluative work with youth. ©Wiley Periodicals, Inc., and the American Evaluation Association.
Lessons learned from evaluation capacity building
Authors: Rotondo Emma 
Published: June 2012

AbstractThis chapter shares lessons learned from evaluation capacity‐building efforts undertaken by PREVAL in recent years (2004–2010). The author also discusses the aim of capacity building in evaluation within PREVAL, the key elements that should be considered in planning, monitoring, and evaluation (PME) systems, and the strategic uses of its processes and findings. Finally, the chapter outlines lessons learned regarding the role of stakeholders, and factors for success and failure identified from PREVAL's experience in building evaluation capacity in antipoverty rural projects in Latin America and the Caribbean. ©Wiley Periodicals, Inc., and the American Evaluation Association.
Research and regulatory reform
Authors: Colgate James P. , Lee John Hans 
Published: June 2012

ABSTRACTOn 11 September 2001, one of the largest workplace evacuations in US history took place at the World Trade Center in New York City. To better understand the complex array of factors that potentially influenced evacuation time, an interdisciplinary research study was conducted by public health scientists to determine the individual, organizational, and structural (environmental) factors that served as potential facilitators or barriers to length of evacuation time. Analyses of evacuee survey data collected provide evidence that a combination of factors at the individual and organizational levels were apparently influential in affecting emergency evacuations in addition to structural risk factors such as egress route barriers, poor signage, congestion, and communication systems failures. These factors are identified in the study to inform high‐rise emergency preparedness and response policies and procedures. Copyright © 2012 John Wiley & Sons, Ltd.
Upper Body and Finger Posture Evaluations at an Electric Iron Assembly Plant
Authors: Wang Hui , Hwang Jaejin , Lee Kyung‐Sun , Kwag Jong‐Seon , Jang Joong‐Soon , Jung Myung‐Chul 
Published: June 2012

AbstractThis study evaluated the postures that workers used to perform 18 different tasks at an electric iron assembly plant by classifying the common simultaneous and individual postures of eight upper body segments and the fingers. The postures of the head, upper arms, lower arms, hand, and trunk were assigned to the categories of “Neutral,” “Bend,” “Twist,” and “Invisible.” The finger postures were also assigned to 14 categories. Overall, most workers bent the head, lower arms, and hands and used power grips to wrap all fingers around parts and tools. The upper arms and trunk were in neutral positions because the workers stood at a conveyor belt. Among 18 tasks, the task of “setting temperature” seemed the lightest work because most body segments were in neutral positions for more than 54.6% of a cycle time, while the task of “palletizing” seemed the most stressful work because all body segments were bent more than 54.4% of a cycle time. These posture differences among the tasks result from the different task characteristics of workplace design, task difficulty, and work duration. It would be useful in designing workplace and evaluating physical workload. © 2012 Wiley Periodicals, Inc.
Surface modification of polypropylene nonwovens with LDV peptidomimetics and their application in the leukodepletion of blood products
Authors: Gérard Estelle , Bessy Emilie , Hénard Grégory , Verpoort Thierry , Marchand‐Brynaert Jacqueline 
Published: June 2012

AbstractFor clinical indications and according to European standards, a depletion of the leukocytes from whole blood has to be realized before transfusion to a patient. In this study, the surface of a layer of meltblown oxygen‐plasma treated polypropylene nonwoven (O2‐PP), making part of the composition of leukodepletion filters, was modified with bioactive molecules to enhance the adhesion of leukocytes. These synthetic small molecules (called peptidomimetics) mimic the “Leu‐Asp‐Val” (LDV) tripeptide sequence recognized by the α4β1 integrin, a receptor expressed on leukocytes. Their activity, as ligands of the α4β1 integrin, was confirmed through cell adhesion assays. The peptidomimetics were covalently immobilized on O2‐PP nonwoven via activation of the hydroxyl‐ and carboxyl‐functions displayed on the polymer surface with trifluoro‐triazine reagent, or were simply deposited on the O2‐PP surface. The treated materials were characterized by X‐ray photoelectron spectroscopy, wettability, and morphological analyses, before and after steam sterilization. Experimental filters composed of 10 layers of O2‐PP nonwovens and a last layer modified with the peptidomimetics were evaluated, using whole blood filtration assays, for their leukodepletion efficiency, the recovery of red cells and platelets and the waste of blood, with an objective to design new filters fulfilling practical and medical criteria. © 2012 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater 100B: 1513–1523, 2012.