bluuebunny/crossref_metadata_2025_split huggingface dataset:
Shape optimization of a body located in incompressible flow using adjoint method and partial control algorithm
Authors: Sakamoto Masato , Kawahara Mutsuto 
Published: October 2010

AbstractThe purpose of this study is to obtain an optimal shape of a body located in an incompressible viscous flow. The optimal shape of the body is defined so as to minimize the fluid forces acting on it by determining the surface coordinates based on the finite element method and the optimal control theory. The performance function, which is used to judge the optimality of a shape, is defined as the square sum of the drag and lift forces. The minimization problem is solved using an adjoint equation method. The gradient in the adjoint equation is affected by the finite element configuration. The use of a finite element mesh whose shape is appropriate for the procedure is important in shape optimization. If the finite element mesh used is not suitable for computations, the exact gradient is not calculated. Therefore, a structured mesh is used for the adjacent area of the body and all finite element meshes are refined using the Delaunay triangulation at each iteration computation. The weighted gradient method is applied as the minimization technique.Using an algorithm in which all nodal coordinates on the surface of the body are employed and starting from a circle as an initial shape, a front‐edged and rear‐round shape is obtained because of the vortices at the back of the body. To overcome this difficulty, we introduced the partial control algorithm, in which some of the nodal coordinates on the surface of the body are updated. From four cases of computational studies, we reveal that the optimal shape has both sharp front and sharp rear edges. All computations are conducted at Reynolds number Re=250. The minimum value of the performance function is obtained. Copyright © 2010 John Wiley & Sons, Ltd.
IRRIGATION SUSTAINABILITY ASSESSMENT OF SELECTED PROJECTS IN THA CHIN BASIN, THAILAND
Authors: Tiewtoy Sanidda , Clemente Roberto S. , Perret Sylvain R. , Singh Babel Mukand , Weesakul Sutat 
Published: October 2010

ABSTRACTThis study assesses the sustainability of the Kamphaengsaen (KPP) and Phophraya (PPP) projects located in the Tha Chin Basin, Thailand. The assessment is based on the investigation of sustainability indicators using principal component analysis. The dominant indicators affecting sustainability are identified. The key indicators are weighted and computed to obtain the irrigation sustainability index (ISI) used to classify the sustainability into five levels. The results for KPP show net farm income, awareness on irrigation water use, matching of water delivery schedule and agricultural operation, and field application ratio being the major sustainability indicators. For KPP, six zones show a very low sustainability level; five zones are low; 11 zones are medium; four zones are high and one zone very high. Four key indicators are found in PPP, including perception of drained water quality, satisfaction on adequacy of water distribution, field application ratio, and net farm income. For PPP, one zone shows a very low sustainability level; three zones are low; five zones are medium; one zone is high and one very high. The ISI developed may also help stakeholders and policy makers to understand the roles, influences and implications of the key indicators towards sustainable management of the irrigation sector in the country. Copyright © 2010 John Wiley & Sons, Ltd.
Determinants of the mechanical behavior of human lumbar vertebrae after simulated mild fracture
Authors: Wegrzyn Julien , Roux Jean-Paul , Arlot Monique E , Boutroy Stéphanie , Vilayphiou Nicolas , Guyen Olivier , Delmas Pierre D , Chapurlat Roland , Bouxsein Mary L 
Published: October 2010

Abstract
The ability of a vertebra to carry load after an initial deformation and the determinants of this postfracture load-bearing capacity are critical but poorly understood. This study aimed to determine the mechanical behavior of vertebrae after simulated mild fracture and to identify the determinants of this postfracture behavior. Twenty-one human L3 vertebrae were analyzed for bone mineral density (BMD) by dual-energy X-ray absorptiometry (DXA) and for microarchitecture by micro–computed tomography (µCT). Mechanical testing was performed in two phases: initial compression of vertebra to 25% deformity, followed, after 30 minutes of relaxation, by a similar test to failure to determine postfracture behavior. We assessed (1) initial and postfracture mechanical parameters, (2) changes in mechanical parameters, (3) postfracture elastic behavior by recovery of vertebral height after relaxation, and (4) postfracture plastic behavior by residual strength and stiffness. Postfracture failure load and stiffness were 11% ± 19% and 53% ± 18% lower than initial values (p = .021 and p &lt; .0001, respectively), with 29% to 69% of the variation in the postfracture mechanical behavior explained by the initial values. Both initial and postfracture mechanical behaviors were significantly correlated with bone mass and microarchitecture. Vertebral deformation recovery averaged 31% ± 7% and was associated with trabecular and cortical thickness (r = 0.47 and r = 0.64; p = .03 and p = .002, respectively). Residual strength and stiffness were independent of bone mass and initial mechanical behavior but were related to trabecular and cortical microarchitecture (|r| = 0.50 to 0.58; p = .02 to .006). In summary, we found marked variation in the postfracture load-bearing capacity following simulated mild vertebral fractures. Bone microarchitecture, but not bone mass, was associated with postfracture mechanical behavior of vertebrae. © 2011 American Society for Bone and Mineral Research.
Base‐catalyzed condensation of thioglycolic ester with β‐chloropyrrolecarbaldehyde: One‐pot approach to substituted thieno[2,3‐b]pyrroles
Authors: Barman Gopa , Ray Jayanta K. 
Published: October 2010

AbstractA simple methodology has been developed for the synthesis of thieno[2,3‐b]pyrroles from N‐aryl‐diformylated‐pyrroles by base catalyzed condensation with thioglycolic ester. J. Heterocyclic Chem., 2011.
Evaluation of 1‐arylpiperazine derivative of hydroxybenzamides as 5‐HT1Aand 5‐HT7serotonin receptor ligands: An experimental and molecular modeling approach
Authors: Kowalski Piotr , Jaśkowska Jolanta , Bojarski Andrzej J. , Duszyńska Beata , Bucki Adam , Kołaczkowski Marcin 
Published: October 2010

AbstractThe synthesis and evaluation as 5‐HT1Aand 5‐HT7serotonin receptor ligands of the two sets ofO‐substituted hydroxybenzamides, structurally related to 2‐{3‐[4‐(2‐methoxyphenyl)piperazin‐1‐yl]propoxy}benzamide (1), (Ki5‐HT1A= 21 nM, 5‐HT7= 234 nM) are reported. To affect the affinity for 5‐HT1Aand 5‐HT7receptors, an amide moiety (2,3,4,5,6) and a hydrocarbon chain length (7,8,9,10) were modified. The serotonergic activity of compounds2,3,4,5,6,7,8,9,10was generally higher in the case of 5‐HT1Areceptors compared with 5‐HT7ones; the most active 5‐HT1Aligands beingmeta‐isomer2(Ki= 7 nM) and both analogs of1with the longest spacer, i.e., penta‐ and hexa‐methylene derivatives9and10(Ki= 4 and 3 nM, respectively). The observed biological properties of compounds1,2,3,4,5,6,7,8,9,10were elucidated using molecular modeling procedures. J. Heterocyclic Chem., (2010).
Changes in the extreme daily rainfall in South Korea
Authors: Park Jeong‐Soo , Kang Hyun‐Suk , Lee Young Saeng , Kim Maeng‐Ki 
Published: October 2010

AbstractThis paper examines the usefulness of the non‐stationary generalized extreme value (GEV) distribution in modelling extreme rainfall. We modelled the annual maxima of daily (AMP1) and 2‐day (AMP2) rainfall data observed during the summer rainy season, dating up to 2007 in 28 stations in South Korea. We fitted the GEV distribution to the data for each location. The location parameter of the GEV distribution was formulated as a function of time to explore the temporal trends in maximum precipitation over the course of climatic change and to predict future behaviours. We found evidence of non‐stationarity in the form of increasing trends for six stations from AMP1 and for five stations from AMP2. This trend is consistent with the results from a regional climate model derived by the A1B emission forcing of IPCC AR4. The stationary Gumbel distribution provided a good fit to the AMP1 data for 18 stations and to the AMP2 data for 15 stations. We quantified the changes in extreme rainfall for each station; the return levels and their 95% confidence intervals for various return periods are provided. Copyright © 2010 Royal Meteorological Society
Structure elucidation of fluorescent H1 antihistamines by ultraviolet resonance Raman spectroscopy: solvent structures of tripelennamine and mepyramine
Authors: Tardioli Silvia , Gooijer Cees , van der Zwan Gert 
Published: October 2010

AbstractUltraviolet Resonance Raman (UVRR) spectroscopy—a Raman technique that combines high sensitivity with high selectivity and does not suffer from background fluorescence—is applied to the fluorescent H1 antihistamines tripelennamine (TRP) and mepyramine (MEP) in aqueous solution to elucidate their molecular structure as a function of pH. In a previous investigation of these compounds (C. Tardioli, G. Gooijer G. van der Zwan, J. Phys. Chem. B, 113, (2009), 6949), the presence of gauche conformers caused by intramolecular interaction of the protonated alkylamine tail with the pyridine nitrogen was assumed to explain the pH dependence of the fluorescence properties. In order to validate this assumption, use is made of the resonant excitation of the aminopyridine chromophore in TRP and MEP. In that way, structural information associated with the vibrations of that moiety can be obtained, and the changes it undergoes upon protonation can be monitored. Assignment of the vibrations was achieved with the help of a number of other compounds, and quantum chemical calculations. N,N‐Dimethylaminopyridine (2DMP) and its mono‐protonated form (2DMPH+) were investigated, since this molecule was shown to have optical properties closely resembling those of the aminopyridine moiety in TRP and MEP. Assignment of the vibrations of 2DMP was accomplished by comparison with the resonance Raman spectra of two other reference structures, 2‐aminopyridine and dimethylaniline—for which ordinary Raman data are available—and by Gaussian calculations. UVRR spectra of TRP and MEP could be readily interpreted on the basis of vibrational assignments of the parent chromophores, i.e. 2DMP and 2DMPH+. Vibrations of the aminopyridine chromophore in TRP and MEP at neutral pH, where the aminoalkyl chain is protonated, are modified when compared to the vibrational pattern recorded for a fully neutral molecule in alkaline solution. This implies an electronic redistribution in the ring originating from internal hydrogen bonding between the aminoalkyl tail and the aminopyridine chromophore. Copyright © 2010 John Wiley & Sons, Ltd.
In situ Raman spectroscopy studies on chromium oxide catalyst in an anhydrous hydrogen fluoride atmosphere
Authors: Xing Liqiong , Bi Qingyuan , Wang Yuejuan , Guo Ming , Lu Jiqing , Luo Mengfei 
Published: October 2010

AbstractChanges of different chromium oxide species [Cr(VI), Cr(V) and Cr(III)] were investigated using in situ Raman spectroscopy in an anhydrous hydrogen fluoride (AHF) atmosphere. It was found that the Cr(VI) (CrO3) and Cr(V) (YCrO4) species were easy to fluorinate, and generated CrO2F2 or/and CrOF3, while the Cr(III) (Cr2O3) species was difficult to fluorinate. Moreover, the CrO2F2 and CrOF3 species were stable in the AHF atmosphere, but they easily transform into CrO3 in N2 atmosphere and further decomposed to Cr2O3 at 400 °C. Moreover, Cl/F exchange reaction of CF3CH2Cl to CF3CH2F over these Cr species indicated that the high‐oxidation‐state CrOxFy (CrO2F2 and CrOF3) species exhibited much higher reactivities than Cr2O3, suggesting that these species (CrO2F2 and CrOF3) may be the active phases of the reaction. Copyright © 2010 John Wiley & Sons, Ltd.
Photofragmentation mechanisms of nickel methyl xanthate—resonance Raman and density functional theory investigation
Authors: Wei Song‐Lin , Gao Ping‐Cai , Zhao Yan‐Ying , Wang Hui‐gang , Zheng Xuming 
Published: October 2010

AbstractThe C‐, D‐, and E‐band resonance Raman spectra were obtained for nickel methyl xanthate (NMX) in acetonitrile solution. Density functional calculations were carried out to help elucidate its ultraviolet electronic transitions and vibrational assignments of the resonance Raman spectra associated with the C‐, D‐, and E‐band absorptions. The Franck–Condon region photodissociation dynamics of NMX in C, D, and E‐band absorptions were revealed to have multidimensional characters and to be significantly different from one another in terms of the resonance Raman intensity patterns. The photofragmentation mechanism associated with C‐, D‐, and E‐band absorptions are briefly discussed. Copyright © 2010 John Wiley & Sons, Ltd.
Prazosin treatment of trauma nightmares and sleep disturbance in soldiers deployed in Iraq
Authors: Calohan Jess , Peterson Kris , Peskind Elaine R. , Raskind Murray A. 
Published: October 2010

AbstractTrauma nightmares and sleep disturbance impair combat soldiers' functioning. The alpha‐1 adrenoreceptor antagonist prazosin has been demonstrated effective for these symptoms in Vietnam veterans. Thirteen soldiers seeking relief from distressing trauma nightmares impairing military function in northern Iraq in 2006 received prazosin alone or in combination with other psychotropics. Mean prazosin dose was 4.1 (SD = 2.2) mg before bed. Six soldiers improved markedly and 3 moderately on the Clinical Global Impression of Change Ratings of distressing dreams decreased from an average of 7.0 (SD = 0.7) to 2.9 (SD = 3.0, p < .001) and those of disturbed sleep from 6.7 (SD = 0.9) to 3.7 (SD = 2.4, p < .001). Prazosin appears effective and well tolerated in the desert warfare environment.
Underdiagnosis of posttraumatic stress disorder in at risk youth
Authors: Miele Drew , O'Brien Edward J. 
Published: October 2010

AbstractThree studies examined the diagnosis of posttraumatic stress disorder (PTSD) in agencies treating at risk youth. Studies 1 and 2 (1999) found that baseline PTSD diagnosis was rare in a residential and an outpatient agency (2.3% and 5.4%, respectively) whereas trauma‐focused interviews identified PTSD in 47.7% and 44.6% of these clients. Subsequent training efforts increased awareness of PTSD and recognition of unique issues in assessing at risk youth. Study 3 (2009) reexamined PTSD diagnosis rates in these agencies 10 years later and found that the residential agency had an increased rate of PTSD diagnosis (10.8%), whereas PTSD diagnosis remained rare in the outpatient agency (4.0%). Suggestions are offered for increased accuracy in the diagnosis of PTSD and complex PTSD with at risk youth.
Polynorbornenes Containing Ferrocene Derivatives and Alkyne‐bis(tricarbonylcobalt)
Authors: Abd‐El‐Aziz Alaa S. , Winram Diana J. , Shipman Patrick O. , Bichler Lukas 
Published: October 2010

AbstractCoordination of dicobalt hexacarbonyl to the alkyne moiety of norbornene complexes containing either ferrocene or η6‐chlorobenzene‐η5‐cyclopentadienyliron hexafluorophosphate, gave two unique trimetallic complexes available for ROMP. Polymerization of each monomer using Grubbs second generation catalyst gave organoiron/organocobalt polynorbornenes with weight average molecular weights between 55 300 and 69 000 with PDIs between 1.2 and 1.9. Cyclic voltammetric studies of the monomers and polymers at −40 °C showed a reversible reduction for cationic complexes containing η6‐benzene‐η5‐cyclopentadienyliron and for the dicobalt hexacarbonyl moieties while, a reversible oxidation for the ferrocene containing complex was observed. Thermal analysis showed that the cobalt carbonyl moiety of the polymers degraded near 130 °C; however, the polymeric backbone was stable up to 350 °C. Scanning electron microscopy (SEM) and SEM‐EDS indicated that the polymers possessed a fine globular morphology and that the distribution of iron and cobalt atoms was homogenous on the macro‐scale.
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Adaptive FE–BE coupling for an electromagnetic problem in ℝ3—A residual error estimator
Authors: Leydecker Florian , Maischak Matthias , Stephan Ernst P. , Teltscher Matthias 
Published: October 2010

AbstractWe construct a reliable and efficient residual‐based local a posteriori error estimator for a Galerkin method coupling finite elements and boundary elements for an eddy current problem in a three‐dimensional polyhedral domain. For the proof of the efficiency of the error estimator, we assume that the boundary mesh is quasi‐uniform and that the boundary surface and the boundary data satisfy certain smoothness assumptions. The Galerkin method uses lowest‐order Nédélec elements in the interior domain and vectorial surface rotations of continuous, piecewise bilinear functions on the boundary. Singular, weakly singular and hypersingular boundary integral operators appearing in the variational formulation show up in terms of the error estimator as well. The estimator is derived from the defect equation using a Helmholtz decomposition and Green's formulas. The decomposed parts of the Galerkin error are approximated by local interpolation operators. Numerical tests underline reliability and efficiency of the residual error estimator. Copyright © 2010 John Wiley & Sons, Ltd.
Enhanced neurochemical profile of the rat brain using in vivo 1H NMR spectroscopy at 16.4 T
Authors: Hong Sung‐Tak , Balla Dávid Zsolt , Shajan G. , Choi Changho , Uğurbil Kâmil , Pohmann Rolf 
Published: October 2010

AbstractSingle voxel magnetic resonance spectroscopy with ultrashort echo time was implemented at 16.4 T to enhance the neurochemical profile of the rat brain in vivo. A TE of 1.7 msec was achieved by sequence optimization and by using short‐duration asymmetric pulses. Macromolecular signal components were parameterized individually and included in the quantitative analysis, replacing the use of a metabolite‐nulled spectrum. Because of the high spectral dispersion, several signals close to the water line could be detected, and adjacent peaks could be resolved. All 20 metabolites detected in this study were quantified with Cramér‐Rao lower bounds below 20%, implying reliable quantification accuracy. The signal of acetate was detected for the first time in rat brain in vivo with Cramér‐Rao lower bounds of 16% and a concentration of 0.52 μmol/g. The absolute concentrations of most metabolites showed close agreement with values previously measured using in vivo 1H NMR spectroscopy and in vitro biochemical assay. Magn Reson Med, 2010. © 2010 Wiley‐Liss, Inc.
Considerations for measuring the fractional anisotropy of metabolites with diffusion tensor spectroscopy
Authors: Ellegood Jacob , Hanstock Chris C. , Beaulieu Christian 
Published: October 2010

AbstractDiffusion tensor spectroscopy of metabolites in brain is challenging because of their lower diffusivity (i.e. less signal attenuation for a given b value) and much poorer signal‐to‐noise ratio relative to water. Although diffusion tensor acquisition protocols have been studied in detail for water, they have not been evaluated systematically for the measurement of the fractional anisotropy of metabolites such as N‐acetylaspartate, creatine and choline in the white and gray matter of human brain. Diffusion tensor spectroscopy was performed in vivo with variable maximal b values (1815 or 5018 s/mm2). Experiments were also performed on simulated spectra and isotropic alcohol phantoms of various diffusivities, ranging from approximately 0.54 × 10−3 to 0.13 × 10−3 mm2/s, to assess the sensitivity of diffusion tensor spectroscopic parameters to low diffusivity, noise and b value. The low maximum b value of 1815 s/mm2 yielded elevated fractional anisotropy (0.53–0.60) of N‐acetylaspartate in cortical gray matter relative to the more isotropic value (0.25–0.30) obtained with a higher b value of 5018 s/mm2; in contrast, the fractional anisotropy of white matter was consistently anisotropic with the different maximal b values (i.e. 0.43–0.54 for b = 1815 s/mm2 and 0.47–0.51 for b = 5018 s/mm2). Simulations, phantoms and in vivo data indicate that greater signal attenuation, to a degree, is desirable for the accurate quantification of diffusion‐weighted spectra for slowly diffusing metabolites. Copyright © 2010 John Wiley & Sons, Ltd.
Tracing the origins of metastasis
Authors: Nguyen Don X 
Published: October 2010

AbstractCancer metastasis is often considered an orderly sequence of events leading to the colonization of distal organs by malignant cells. In fact, the evolution of metastatic disease is a dynamic process that is influenced by unique cellular lineages, altered microenvironments, distinct anatomical restrictions and multiple genetic and epigenetic alterations. These factors all contribute to variable clinical courses, likely requiring tailored therapy. As we inch closer towards personalized medicine, there is a renewed conceptual and technological focus on characterizing the cellular and genetic heterogeneity within tumours, to ultimately trace the origins of metastatic cells in different cancers. Copyright © 2010 Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd.
Linking nanotechnology to gigawatts: Creating building blocks for smart PV modules
Authors: Poortmans J. , Baert K. , Govaerts J. , Mertens R. , Catthoor F. , Germain M. , Das J. , Driesen J. 
Published: October 2010

AbstractCost reduction, expressed commonly as a unit cost/Wp on the level of solar cells, PV modules and systems, is the overarching theme of the major part of worldwide activities in the field of photovoltaics. Obviously, this is the condition sine qua non to be met for reaching economical viability of solar photovoltaic energy. We already outlined 1 earlier that a number of nanotechnologies developed for advanced Si‐based nanoscale CMOS transistors might also be very useful for the race toward crystalline Si solar cells with higher efficiency and lower cost. The focus on this cost parameter might, however, obscure the growing need to add more functionality to the PV system if photovoltaic energy is to play an important role in the electricity generation scenarios of the future 2. In the view of the authors much of this added functionality could be integrated at the module or even within the module by using a number of microscale and nanoscale technologies. This added functionality on PV‐module level might in first instance aim at an increase of energy yield by adding electronic components allowing to minimize the effect of shadowing losses by allowing a certain degree of reconfigurability of the PV module. Eventually, this might also reach out further by integrating the DC–AC inverter with the module (allowing to reduce DC losses) and in the end even other components integrating control and interaction functions with the electricity grid. In this paper we describe the philosophy behind the concept of the “Smart PV module” as well as two crucial technologies to realize this concept: the embedding technology for cells and components in the so‐called U module and the development of a low‐cost technology for reliable high‐power components based on GaN‐on‐Si, enabling the high‐frequency switching transistors in the DC–DC or DC–AC converters or the low‐loss switches in a “reconfigurable” U module. Besides the well‐spread conviction that nanotechnological aspects will lead to advances in terms of solar cell performance and lower cell costs, the message which we would like to convey is the fact that the development of miniaturized components using advances in micro‐ and nanotechnology are also very likely to affect the development of the “smart PV module” concept, providing ground for the statement “linking nanoscale to gigawatts.” Copyright © 2010 John Wiley & Sons, Ltd.