bluuebunny/crossref_metadata_2025_split huggingface dataset:
Targeting the hydrophobic pocket of autotaxin with virtual screening of inhibitors identifies a common aromatic sulfonamide structural motif
Authors: Fells James I. , Lee Sue Chin , Norman Derek D. , Tsukahara Ryoko , Kirby Jason R. , Nelson Sandra , Seibel William , Papoian Ruben , Patil Renukadevi , Miller Duane D. , Parrill Abby L. , Pham Truc‐Chi , Baker Daniel L. , Bittman Robert , Tigyi Gabor 
Published: December 2013

Modulation of autotaxin (ATX), the lysophospholipase D enzyme that produces lysophosphatidic acid, with small‐molecule inhibitors is a promising strategy for blocking the ATX–lysophosphatidic acid signaling axis. Although discovery campaigns have been successful in identifying ATX inhibitors, many of the reported inhibitors target the catalytic cleft of ATX. A recent study provided evidence for an additional inhibitory surface in the hydrophobic binding pocket of ATX, confirming prior studies that relied on enzyme kinetics and differential inhibition of substrates varying in size. Multiple hits from previous high‐throughput screening for ATX inhibitors were obtained with aromatic sulfonamide derivatives interacting with the hydrophobic pocket. Here, we describe the development of a ligand‐based strategy and its application in virtual screening, which yielded novel high‐potency inhibitors that target the hydrophobic pocket of ATX. Characterization of the structure–activity relationship of these new inhibitors forms the foundation of a new pharmacophore model of the hydrophobic pocket of ATX.
Transient behaviour in the numerical analysis of plasticity induced crack closure
Authors: Antunes F. V. , Marques G. A. S. , Chegini A. G. , Correia L. 
Published: December 2013

ABSTRACTA transient behaviour is observed in the numerical analysis of plasticity induced crack closure at the beginning of crack propagation, as the residual plastic field is being formed. The extent of crack propagation prior to plasticity induced crack closure measurement has a major influence on the accuracy of numerical prediction and on computation time. The objective here is to quantify and understand the minimum propagation, Δastb, required to obtain stabilized crack opening values. For plane stress state, Δastb was found to increase with ΔK. Under plane strain conditions, a peak of closure exists at the beginning of crack propagation for relatively low ΔK values, which promotes relatively large transient periods. Two driving forces explain the stabilization behaviour, the formation of residual plastic wake and the stabilization of plastic strain, but the second seemed to control the phenomenon. Finally, two strategies are proposed to accelerate convergence. The first, consisting of a progressive increase of maximum load, is relevant in plane strain and 3D studies, in order to eliminate the initial peak. The second strategy consists of an extrapolation model and is very effective for plane stress conditions.
Dynamics of structural traits in two competing C3grass species: influence of neighbours and nitrogen
Authors: Gatti M. L. , Ayala Torales A. T. , Cipriotti P. A. , Golluscio R. A. 
Published: December 2013

AbstractThis work analysed the regulatory structural mechanisms involved in the competitive interactions between the annual grassBromus willdenowiiKunth. (BW = prairie grass) and the perennial C3grassDactylis glomerataL. (DG= orchardgrass) during pasture establishment. Four combinations of species (pureBW, pureDG,DGflanked byBWandBWflanked byDGplants), with and without winter nitrogen fertilization, were factorially arranged in a randomized complete block design. Data were recorded at two organization levels: tillers (three tiller age cohorts) and target plants. Annual neighbours caused a decrease in the number of living leaves in tillers of intermediate age of both species. This structural regulatory mechanism led to a decrease in tiller number per plant and, therefore, restricted the development of horizontal space occupation. Annual neighbours did not cause an increase in tiller size, measured as lamina length or pseudostem height, but decreased root biomass. As a consequence, annual neighbours did not lead the hierarchy in light capture, but limited species radical colonization and competitive ability for soil resources. Winter nitrogen fertilization only affected tiller size in older tillers. These findings emphasize the importance of the cultural decisions, as sowing densities and nitrogen fertilization, to optimize pasture floristic composition.
Understanding the Role of Triblock Copolymers for the Synthesis of Mesoporous Alumina, and Its Adsorption Efficiency for Congo Red
Authors: Ghosh Sourav , Naskar Milan Kanti 
Published: December 2013

Mesoporous alumina (MA)was synthesized by sol–gel based evaporation‐induced self‐assembly process using aluminum isopropoxide as alumina source in the presence of three different types of triblock copolymers (TBCs), F68, F127, and L64. The role of different TBCs as surfactants on thermal, crystallization, textural, and microstructural properties of the alumina powders was studied. To understand the effects of different copolymers, the adsorption efficiency of the samples for Congo red (CR) was studied. For all the surfactants, the XRD results showed the stability of γ‐Al2O3 phase up to 1000°C for 1 h dwell time. A maximum value (431.8 m2/g) of Brunauer–Emmet–Teller surface area was obtained for the 400°C‐treated powder prepared from F68 surfactant. The transmission electron microscopy micrograph exhibited worm‐like mesoporous structures of the 400°C‐treated powders prepared from F68 and F127 surfactants. The adsorption performance for CR of the 400°C‐treated powders for different surfactants was in the order of F68 > F127 > L64. A tentative mechanism was illustrated to understand the roles of different block copolymers on the properties of the prepared MA.
Click Here for a Data Scientist: Big Data, Predictive Analytics, and Theory Development in the Era of a Maker Movement Supply Chain
Authors: Waller Matthew A. , Fawcett Stanley E. 
Published: December 2013

Predictive analytics is impacting many diverse areas, ranging from baseball and epidemiology to forecasting and customer relationship management. Manufacturers, retailers, software companies, and consultants are creatively discovering new applications of big data using predictive analytics in supply chain management and logistics. In practice, predictive analytics is generally atheoretical; however, we develop a 2 × 2 model to explain the role of predictive analytics in the theory development process. This 2 × 2 model shows that in our discipline we have traditionally taken one path to theory development, but that predictive analytics can be a salient component of a comprehensive theory development process. The model points to a number of research questions that need to be addressed by our research community. These questions are not just highly relevant to the academic community but also in urgent need of answers to help practitioners execute the right strategies with greater precision and efficiency. We also discuss how one disruptive trend, the maker movement, changes the nature of who the producers are in the supply chain, making big data even more valuable. As we engage in higher levels of dialogue we will be able to make meaningful progress addressing these vital research topics.
Rapid evolution of larval life history, adult immune function and flight muscles in a poleward‐moving damselfly
Authors: Therry L. , Nilsson‐Örtman V. , Bonte D. , Stoks R. 
Published: December 2013

AbstractAlthough a growing number of studies have documented the evolution of adult dispersal‐related traits at the range edge of poleward‐expanding species, we know little about evolutionary changes in immune function or traits expressed by nondispersing larvae. We investigated differentiation in larval (growth and development) and adult traits (immune function and flight‐related traits) between replicated core and edge populations of the poleward‐moving damselfly Coenagrion scitulum. These traits were measured on individuals reared in a common garden experiment at two different food levels, as allocation trade‐offs may be easier to detect under energy shortage. Edge individuals had a faster larval life history (growth and development rates), a higher adult immune function and a nearly significant higher relative flight muscle mass. Most of the differentiation between core and edge populations remained and edge populations had a higher relative flight muscle mass when corrected for latitude‐specific thermal regimes, and hence could likely be attributed to the range expansion process per se. We here for the first time document a higher immune function in individuals at the expansion front of a poleward‐expanding species and documented the rarely investigated evolution of faster life histories during range expansion. The rapid multivariate evolution in these ecological relevant traits between edge and core populations is expected to translate into changed ecological interactions and therefore has the potential to generate novel eco‐evolutionary dynamics at the expansion front.
Ethanol, not detectably metabolized in brain, significantly reduces brain metabolism, probably via action at specific GABA(A) receptors and has measureable metabolic effects at very low concentrations
Authors: Rae Caroline D. , Davidson Joanne E. , Maher Anthony D. , Rowlands Benjamin D. , Kashem Mohammed A. , Nasrallah Fatima A. , Rallapalli Sundari K. , Cook James M. , Balcar Vladimir J. 
Published: December 2013

AbstractEthanol is a known neuromodulatory agent with reported actions at a range of neurotransmitter receptors. Here, we measured the effect of alcohol on metabolism of [3‐13C]pyruvate in the adult Guinea pig brain cortical tissue slice and compared the outcomes to those from a library of ligands active in the GABAergic system as well as studying the metabolic fate of [1,2‐13C]ethanol. Analyses of metabolic profile clusters suggest that the significant reductions in metabolism induced by ethanol (10, 30 and 60 mM) are via action at neurotransmitter receptors, particularly α4β3δ receptors, whereas very low concentrations of ethanol may produce metabolic responses owing to release of GABA via GABA transporter 1 (GAT1) and the subsequent interaction of this GABA with local α5‐ or α1‐containing GABA(A)R. There was no measureable metabolism of [1,2‐13C]ethanol with no significant incorporation of 13C from [1,2‐13C]ethanol into any measured metabolite above natural abundance, although there were measurable effects on total metabolite sizes similar to those seen with unlabelled ethanol.
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Ethanol has many documented effects on brain neurochemistry including significantly decreasing glucose consumption. Here, we used multinuclear NMR spectroscopy and metabolomic neuropharmacology to examine alcohol effects on metabolism in cortical brain tissue slices. [1,2‐13C]Ethanol is not metabolized by brain, but very low ethanol [0.1 mM] has significant effects on brain metabolism. Higher ethanol [1.0–60 mM] likely decreases metabolism through action at α4β3δ‐containing GABA(A) receptors.
Diabetes nurse educators' experiences of providing care for women, with gestational diabetes mellitus, from disadvantaged backgrounds
Authors: Carolan Mary 
Published: December 2013

Aims and objectivesTo explore diabetes nurse educators' experiences of providing care for women, with gestational diabetes mellitus, from disadvantaged backgrounds and to gather information which would assist with the development of an educational programme that would support both women and diabetes educators.BackgroundRates of gestational diabetes mellitus have increased dramatically in recent years. This is concerning as gestational diabetes mellitus is linked to poorer pregnancy outcomes including hypertension, stillbirth, and nursery admission. Poorest outcomes occur among disadvantaged women. gestational diabetes mellitus is also associated with maternal type 2 diabetes and with child obesity and type 2 diabetes among offspring. Effective self‐management of gestational diabetes mellitus reduces these risks. Diabetes nurse educators provide most education and support for gestational diabetes mellitus self‐management.DesignAn interpretative phenomenological analysis approach, as espoused by Smith and Osborn (Qualitative Psychology: A Practical Guide to Research Methods, 2008, Sage, London, 51), provided the framework for this study.MethodsThe views of six diabetes educators were explored through in‐depth interviewing. Interviews were transcribed verbatim and analysed according to steps outlined by Smith and Osborn (Qualitative Psychology: A Practical Guide to Research Methods, 2008, Sage, London, 51).ResultsThree themes emerged from the data: (1) working in a suboptimal environment, (2) working to address the difficulties and (3) looking to the future. Throughout, the diabetes nurse educators sought opportunities to connect with women in their care and to make the educational content understandable and meaningful.ConclusionsLow literacy among disadvantaged women has a significant impact on their understanding of gestational diabetes mellitus information. In turn, catering for women with low literacy contributes to increased workloads for diabetes nurse educators, making them vulnerable to burnout.Relevance to clinical practiceThere is a need for targeted educational programmes for women with low literacy. Resources should be literacy appropriate, with photographs and simple text, and include culturally appropriate foods and information. This approach should lead to an improvement in the women's uptake of gestational diabetes mellitus information and may lead to a lessening of the workload burden for diabetes nurse educators.
Melatonin synthesis in rice seedlings in vivo is enhanced at high temperatures and under dark conditions due to increased serotonin N‐acetyltransferase and N‐acetylserotonin methyltransferase activities
Authors: Byeon Yeong , Back Kyoungwhan 
Published: December 2013

AbstractTemperature and light are important environmental factors for plant growth and development. The final two enzymes in the melatonin synthesis pathway in plants are serotonin N‐acetyltransferase (SNAT) and N‐acetylserotonin methyltransferase (ASMT), which have thermophilic characteristics. Thus, the effects of temperature and light on melatonin synthesis in rice seedlings were investigated. Here, we demonstrated that melatonin levels increased as temperature increased when rice seedlings were exposed to various temperatures for 1 hr. Moreover, the relative melatonin levels were higher in the dark. For example, exposure of rice seedlings to 1‐hr darkness at 55°C resulted in a melatonin yield of 4.9 ng/g fresh weight (fw), compared with 2.95 ng/g fw under light conditions. Temperature‐dependent melatonin synthesis was closely associated with an increase in both SNAT and ASMT activities, but not with transcript levels of melatonin biosynthetic genes. The daily melatonin levels in field‐grown rice plants were unaffected as the positive effect of the relatively high temperature during the day was counteracted by the negative effect of the high light. The opposite effect occurred during the night, in which the positive effect of darkness on melatonin synthesis was counteracted by the negative effect of a low temperature.
Full‐Field Measurements on Low‐Strained Geomaterials Using Environmental Scanning Electron Microscopy and Digital Image Correlation: Improved Imaging Conditions
Authors: Wang L. L. , Bornert M. , Héripré E. , Chanchole S. , Tanguy A. 
Published: December 2013

ABSTRACTFull‐field strain measurement at microscale on geomaterials by means of hydromechanical in situ testing and imaging in an environmental scanning electron microscope and digital image correlation techniques is a challenging task because of both low magnitude of investigated strains (typically of the order of 10−3) and unfavourable imaging conditions. In view of improving strain measurement accuracy, three major sources of measurement errors are evaluated, and methods to minimise their effects are proposed. First, a fast and simple procedure to accurately quantify image noise is proposed and subsequently used to optimise various environmental scanning electron microscope setting parameters, such as dwell time, spot size, working distance and chamber pressure. Second, a specific procedure to limit magnification fluctuations to a sufficiently low level is described. Finally, digital image correlation systematic errors are quantified on real images, and several ways to reduce their amplitude are compared. The combination of these improvements finally allows us to reach an appropriate accuracy for overall strain measurements and characterisation of microscale heterogeneities.
Modelling and Control of a Hydraulically Actuated Shaking Table Employed for Vibration Absorber Testing
Authors: Pagano Stefano , Russo Riccardo , Strano Salvatore , Terzo Mario 
Published: December 2013

This paper presents an activity concerning the modelling and control of an unidirectional electro-hydraulically actuated table adopted to test vibration isolators. The test rig consists of a hydraulic actuation system that drives a sliding table mounted on linear bearings. The system is characterized by nonlinearities such as valve dead zone and frictions. A nonlinear model is derived and then employed for parameters identification procedure. The results concerning the model validation are illustrated. They fully confirm the effectiveness of the proposed model able to capture the system behavior.
The testing procedure of the isolation systems is based on the definition of a target displacement time history of the table and, consequently, the precision of the table positioning is of primary importance. In order to minimize the positioning error, a suitable control system has to be adopted. The system non-linearities limit highly the performances of the classical linear control, so a non-linear one is proposed. The sliding table mathematical model is employed for a non-linear control design able to minimize the error between the target position and the current one. The controller synthesis is made taking into account no isolator under test. The proposed approach consists in a non-linear optimal control based on the state-dependent Riccati equation (SDRE). Numerical simulations have been performed in order to evaluate the goodness of the designed control with and without the specimen under test. The results confirm that the performances of the proposed non-linear controller are not invalidated because of the presence of the specimen and highlight the controller robustness.
Mathematical Modelling and Parameter Identification of an Electro-Magneto-Mechanical Actuator for Vibration Control
Authors: Darula Radoslav , Stein George Juraj , Kallesøe Carsten Skovmose , Sorokin Sergey 
Published: December 2013

An electro-magneto-mechanical system, composed of the electromagnet, having an iron core with a coil and a movable yoke, is analyzed in the paper. Exposing the yoke to mechanical motion, the variation of the magnetic flux due to change of the air gap height induces alternating voltage at the coil terminals. If the electrical circuit is closed, the so generated electrical power is dissipated via the internal coil losses, treated in this paper. Thanks to the interaction between the electrical and mechanical system (i.e. via magnetic force), the power dissipation in electrical circuit influences the dynamical response of the mechanical system. And so the mechanical vibrations can be controlled by these means.
The mathematical model of the simplified dynamical system, which describes behavior of the experimental set-up, is derived using a lumped parameter approach.
The aim of the article is to identify parameters of the derived mathematical model, focused mainly on electrical circuit. Based on measured experimental data, the static constants as well as dynamic losses were analyzed.
Optimal Spring Balancing Cylinder Design of an Industrial Robot Using Multi-Disciplinary and Multi-Objective Optimization
Authors: Weström Jakob , Feng Xiaolong , Andersson Hans , Lunderius Stefan 
Published: December 2013

This article presents an automated approach in optimal design of the spring balancing cylinder of an industrial robot using multi-disciplinary and multi-objective design optimization.
Spring balancing cylinder is a mechanical device typically used in industrial robots of high load handling capacity. The objective of use of such device is to effectively balance one of main axes (typically axis-2) subject to the most severe gravitational torque.
The spring balancing cylinder consists typically of multiple springs (two or three) co-axially installed inside the cylinder. Design of such balancing device involves about 16 design parameters, including both geometric parameters (free length, wire diameter, spring outer diameter, and number of turns) and parameters defining mounting positions of the device on a robot. Optimal design of such device is to achieve desired balancing, measured by maximum unbalanced static torque of the balanced axis, with minimum weight and volume of the cylinder. More desirably, the trade-off relationship between the maximum static torque measured by a balancing degree index and weight of the balancing cylinder is explored. Design of such balancing device is subject to a number of hard constraints defining fatigue lifetime of the springs and geometric interference between adjacent springs both in radial and axial directions.
Solving of this design problem requires use of two different design tools. The first design tool is a robot static design tool. The entire robot statics is modeled. The maximum static torque of the balanced axis is calculated by finding the maximum value of static torques of the axis as function rotational angles of the axis within its limits. The maximum static torque is used as one of the design objectives. The second design tool is a detailed spring dimensioning tool. The overall spring constant and pre-loading force are determined subject to constraints of geometric and fatigue lifetime. The integration of the design tools is accomplished using a commercial software tool modeFrontier.
This challenging design problem is formulated into an optimization problem of mixed design variables, multi-objective and multi-constraint nature and solved fully automatically using Multi-Objective Genetic Algorithm (MOGA) implemented in the modeFrontier modeling and optimization environment. The trade-off relationship between the balancing degree and the weight of the springs have been quantitatively explored. Even though some limitations of the developed methodology do exist and need further improvement, it is convinced that the developed approach is ready to be applied in industrial design practice.