bluuebunny/crossref_metadata_2025_split huggingface dataset:
Numerical prediction of turbulent flows using Reynolds‐averaged Navier–Stokes and large‐eddy simulation with uncertain inflow conditions
Authors: Congedo Pietro Marco , Duprat Cedric , Balarac Guillaume , Corre Christophe 
Published: October 2012

SUMMARYNumerous comparisons between Reynolds‐averaged Navier–Stokes (RANS) and large‐eddy simulation (LES) modeling have already been performed for a large variety of turbulent flows in the context of fully deterministic flows, that is, with fixed flow and model parameters. More recently, RANS and LES have been separately assessed in conjunction with stochastic flow and/or model parameters. The present paper performs a comparison of the RANS k − ε model and the LES dynamic Smagorinsky model for turbulent flow in a pipe geometry subject to uncertain inflow conditions. The influence of the experimental uncertainties on the computed flow is analyzed using a non‐intrusive polynomial chaos approach for two flow configurations (with or without swirl). Measured quantities including an estimation of the measurement error are then compared with the statistical representation (mean value and variance) of their RANS and LES numerical approximations in order to check whether experiment/simulation discrepancies can be explained within the uncertainty inherent to the studied configuration. The statistics of the RANS prediction are found in poor agreement with experimental results when the flow is characterized by a strong swirl, whereas the computationally more expensive LES prediction remains statistically well inside the measurement intervals for the key flow quantities.Copyright © 2012 John Wiley & Sons, Ltd.
Performance of a three‐dimensional unstructured mesh compressible flow solver on NVIDIA Fermi‐class graphics processing unit hardware
Authors: Waltz Jacob 
Published: October 2012

SUMMARYWe describe the performance of Chicoma, a 3D unstructured mesh compressible flow solver, on graphics processing unit (GPU) hardware. The approach used to deploy the solver on GPU architectures derives from the threaded multicore execution model used in Chicoma, and attempts to improve memory performance via the application of graph theory techniques. The result is a scheme that can be deployed on the GPU with high‐level programming constructs, for example, compiler directives, rather than low‐level programming extensions. With an NVIDIA Fermi‐class GPU (NVIDIA Corp., Sta. Clara, CA, USA) and double precision floating point arithmetic, we observe performance gains of 4–5 × on problem sizes of 106– 107 tetrahedra. We also compare GPU performance to threaded multicore performance with OpenMP and demonstrate hybrid multicore‐GPU calculations with adaptive mesh refinement. Published 2012. This article is a US Government work and is in the public domain in the USA.
New Supramolecular Triorganotin(IV) Dithiocarboxylates as Potential Antibacterial Agents
Authors: Zia‐ur‐Rehman  , Muhammad Niaz , Shah Afzal , Ali Saqib , Khan Ezzat 
Published: October 2012

ABSTRACTFour triorganotin derivatives of general formula C10H10NS2SnR3,, where R = CH3 (1), C4H9 (2), C6H11 (3), and C6H5 (4), have been synthesized by the metathesis reaction of 1,2,3,4‐tetrahydroisoquinolnium salt of ligand with triorganotin(IV) chloride in the 1:1 ratio. These complexes were characterized by elemental analysis, Raman, IR, multinuclear NMR (1H, 13C, and 119Sn), and mass spectrometry. The crystal structure confirmed a supramolecular zig‐zag chain structure mediated by S–H (2.968 Å) for complex 4 with the central Sn atom exists in a distorted trigonal bipyramidal geometry. A subsequent antibacterial study indicates that the compounds are biologically active.
C–N Coupling of 1,2‐Dihydro‐2,2,4‐trimethylquinoline Derivatives via a Silver(I)‐Catalyzed Direct Functionalization of a C–H Bond
Authors: Fotie Jean , Rhodus Jessica L. , Taha Hashem A. , Reid Carolyn S. 
Published: October 2012

ABSTRACTTwo C,N‐linked dimeric 1,2‐dihydro‐2,2,4‐trimethylquinolines, namely 6‐chloro‐1‐(6‐chloro‐1,2‐dihydro‐2,2,4‐trimethylquinolin‐8‐yl)‐1,2‐dihydro‐2,2,4‐trimethylquinoline (3a) and 6‐ethoxy‐1‐(6‐ethoxy‐1,2‐dihydro‐2,2,4‐trimethylquinolin‐8‐yl)‐1,2‐dihydro‐2,2,4‐trimethylquinoline (3b), have been prepared through a silver‐catalyzed dimerization of their corresponding monomers. The effect of different silver salts on the reaction was also investigated, and the obtained results suggest that silver ions effectively catalyzed the formation of a C–N bond under these mild conditions. This represents one of the rare reports on the silver‐catalyzed C–N bond formation through a coupling of a secondary amine and an activated aromatic system, via a direct C–H functionalization. Theoretical studies showed that these dimeric structures favor a conformation in which their monomer units are oriented approximately perpendicular to each other, with an intramolecular hydrogen bond (N–H distance of 2.33 Å) forming between the hydrogen atom of the amine in one of the monomeric units and the tertiary nitrogen atom of the other one.
Applying the Balanced Scorecard approach in teaching hospitals: a literature review and conceptual framework
Authors: Trotta Annarita , Cardamone Emma , Cavallaro Giusy , Mauro Marianna 
Published: October 2012

SUMMARYTeaching hospitals (THs) simultaneously serve three different roles: offering medical treatment, teaching future doctors and promoting research. The international literature recognises such organisations as ‘peaks of excellence’ and highlights their economic function in the health system. In addition, the literature describes the urgent need to manage the complex dynamics and inefficiency issues that threaten the survival of teaching hospitals worldwide. In this context, traditional performance measurement systems that focus only on accounting and financial measures appear to be inadequate. Given that THs are highly specific and complex, a multidimensional system of performance measurement, such as the Balanced Scorecard (BSC), may be more appropriate because of the multitude of stakeholders, each of whom seek a specific type of accountability. The aim of the paper was twofold: (i) to review the literature on the BSC and its applications in teaching hospitals and (ii) to propose a scorecard framework that is suitable for assessing the performance of THs and serving as a guide for scholars and practitioners. In addition, this research will contribute to the ongoing debate on performance evaluation systems by suggesting a revised BSC framework and proposing specific performance indicators for THs. Copyright © 2012 John Wiley & Sons, Ltd.
Use of the ecosystem services concept in ecological risk assessment of chemicals
Authors: Forbes Valery E , Calow Peter 
Published: October 2012

Abstract
The reason for expressing ecological protection goals in terms of ecosystem services is to make a connection between ecosystems and what people get out of them in terms of marketed goods and nonmarketed welfare. Here our focus will be on how the ecosystem services framework is and can be applied to the ecological risk assessment (ERA) of chemicals. We provide 2 contrasting examples of how the ecosystem services framework is currently being applied in regulatory risk assessment, and we discuss the challenges and knowledge gaps that need to be addressed if such a framework is to substantially improve ERAs and their ability to inform management decisions. We make the point that formulating protection goals in terms of ecosystem services only makes sense if they can be used in managing environmental impacts and if they are useful in informing the risk assessments behind these. Ecosystem services can make a contribution to management by connecting ecosystem structure and process to what is valued, and analyzing risk in this context is a way of making risk assessment more policy- and value-relevant. Using an ecosystem services framework to its fullest potential to support ERA will require the successful development of a suite of coupled Valuation Methods, Ecological Production Functions, and Mechanistic Effect Models that will require the establishment of strong multidisciplinary collaborations among ecologists, computer scientists, social scientists, and possibly others. In addition, buy-in from environmental decision makers and other stakeholders will be crucial. Some progress is being made on the research front, and the implementation of new legislation is providing incentives for developing risk assessment outputs that are much more directly related to environmental protection goals than those used currently. Integr Environ Assess Manag 2013; 9: 269–275. © 2012 SETAC
From home range dynamics to population cycles: Validation and realism of a common vole population model for pesticide risk assessment
Authors: Wang Magnus 
Published: October 2012

Abstract
Despite various attempts to establish population models as standard tools in pesticide risk assessment, population models still receive limited acceptance by risk assessors and authorities in Europe. A main criticism of risk assessors is that population models are often not, or not sufficiently, validated. Hence the realism of population-level risk assessments conducted with such models remains uncertain. We therefore developed an individual-based population model for the common vole, Microtus arvalis, and demonstrate how population models can be validated in great detail based on published data. The model is developed for application in pesticide risk assessment, therefore, the validation covers all areas of the biology of the common vole that are relevant for the analysis of potential effects and recovery after application of pesticides. Our results indicate that reproduction, survival, age structure, spatial behavior, and population dynamics reproduced from the model are comparable to field observations. Also interannual population cycles, which are frequently observed in field studies of small mammals, emerge from the population model. These cycles were shown to be caused by the home range behavior and dispersal. As observed previously in the field, population cycles in the model were also stronger for longer breeding season length. Our results show how validation can help to evaluate the realism of population models, and we discuss the importance of taking field methodology and resulting bias into account. Our results also demonstrate how population models can help to test or understand biological mechanisms in population ecology. Integr Environ Assess Manag 2013; 9: 294–307. © 2012 SETAC
Differential promoter activities of functional haplotypes in the 5′‐flanking region of human Sulfotransferase 1A1
Authors: Lin Zhong‐Ning , Lin Yu‐Chun , Zhang Xuemei , Kadlubar Susan , Tuo Jingsheng , Green Bridgett , Deng Helen , Ning Baitang 
Published: October 2012

AbstractPreviously, we reported five common single nucleotide polymorphisms (SNPs), −624G>C, −396G>A, −358A>C, −341C>G, and −294T>C, and six common haplotypes (CGACT, GAACT, GGAGC, GGACC, CAACT, and GAACC) in the 5′‐flanking region of the SULT1A1 gene that were associated with altered enzymatic activity. In the present study, we performed in vitro assays to determine the functional impact of these genetic variations on the promoter activity. Dual luciferase reporter assays revealed that these SNPs are located in a negative regulatory fragment of the SULT1A1 gene. Further experiments demonstrated that these SNPs and haplotypes affected promoter activities of SULT1A1. Electrophoretic mobility shift assays showed distinctive binding patterns for the SNPs ‐396G>A and ‐294T>C, due to differential binding affinities of the G/A alleles and the T/C alleles to nuclear proteins extracted from the liver carcinoma cell lines, HepG2 and Huh7. © 2012 Wiley Periodicals, Inc. J Biochem Mol Toxicol 26:422–428, 2012; View this article online at wileyonlinelibrary.com. DOI 10:1002/jbt.21437
Sputum analysis: Non‐invasive early lung cancer detection
Authors: D'Urso Vittorio , Doneddu Valentina , Marchesi Irene , Collodoro Angelo , Pirina Pietro , Giordano Antonio , Bagella Luigi 
Published: October 2012

AbstractLung cancer is the leading cause of cancer‐related deaths over the world, characterized by a very high mortality rate. Molecular technique development tries to focus on early detection of cancers by studying molecular alterations that characterize cancer cells. Worldwide lung cancer research has focused on an ever‐increasing number of molecular elements of carcinogenesis at genetic, epigenetic and protein levels. The non‐invasiveness is the characteristic that all clinical trials on cancer detection should have. Abnormal chest imaging and/or non‐specific symptoms are initial signals of lung cancer that appear in an advanced stage of disease. This fact represents the cause of the low 5‐year survival rate: over 90% of patients dying within 5 years of diagnosis. Since smokers have higher quantity of sputum containing exfoliated cells from the bronchial tree, and the sputum represents the most easily accessible biological fluid and its collection is non‐invasive, analysis of this sample represents a good area of research in early lung cancer diagnosis. Continued cigarette smoking is the cause of chronic obstructive pulmonary disease (COPD), with an estimated attributable risk factor exceeding 80% in smoking affected individuals. Lung cancer is found in 40–70% of patients with COPD, particularly in severe disease, and it is a common cause of death in these patients. A large prospective trial of almost half a million non‐smokers showed as lung cancer is also common in patients with COPD who have never smoked. This review describes issues related to early lung cancer screening using non‐invasive methods. J. Cell. Physiol. © 2012 Wiley Periodicals, Inc.
Is unconventional secretion inhibited during cell division by Cdk1 activity?
Authors: Tang Bor Luen 
Published: October 2012

AbstractA process of unconventional secretion that is dependent on the Golgi stacking protein GRASP and multiple components of the autophagy machinery has recently been documented for several cytoplasmic and membrane protein. Classical secretion via the exocytic pathway is inhibited during cell division in animal cells, as key membrane compartments, particularly the Golgi, are disassembled and fragmented. The question as to whether unconventional secretion is likewise inhibited during mitosis has not been explored. This mode of secretion supposedly bypasses the Golgi. However, GRASP and Vps34 (a key autophagy protein) are both substrates of the cell cycle regulating cyclin‐dependent kinase 1 (Cdk1), and their activities are apparently inhibited by Cdk1 phosphorylation. Is unconventional secretion therefore similarly inhibited during cell division like conventional secretion? The story may yet turn out to be more complicated. J. Cell. Physiol. © 2012 Wiley Periodicals, Inc.
Alpha‐2‐macroglobulin: A physiological guardian
Authors: Rehman Ahmed A. , Ahsan Haseeb , Khan Fahim H. 
Published: October 2012

AbstractAlpha macroglobulins are large glycoproteins which are present in the body fluids of both invertebrates and vertebrates. Alpha‐2‐macroglobulin (α2M), a key member of alpha macroglobulin superfamily, is a high‐molecular weight homotetrameric glycoprotein. α2M has many diversified and complex functions, but it is primarily known by its ability to inhibit a broad spectrum of proteases without the direct blockage of the protease active site. α2M is also known to be involved in the regulation, transport, and a host of other functions. For example, apart from inhibiting proteinases, it regulates binding of transferrin to its surface receptor, binds defensin and myelin basic protein, etc., binds several important cytokines, including basic fibroblast growth factor (bFGF), platelet‐derived growth factor (PDGF), nerve growth factor (NGF), interleukin‐1β (IL‐1β), and interleukin‐6 (IL‐6), and modify their biological activity. α2M also binds a number of hormones and regulates their activity. α2M is said to protect the body against various infections, and hence, can be used as a biomarker for the diagnosis and prognosis of a number of diseases. However, this multipurpose antiproteinse is not “fail safe” and could be damaged by reactive species generated endogenously or exogenously, leading to various pathophysiological conditions. J. Cell. Physiol. 228: 1665–1675, 2013. © 2012 Wiley Periodicals, Inc.
Kidney injury molecule‐1: More than just an injury marker of tubular epithelial cells?
Authors: Lim Ai Ing , Tang Sydney C.W. , Lai Kar Neng , Leung Joseph C.K. 
Published: October 2012

AbstractRegardless of the original causes and etiology, the progression to renal function declines follows a final common pathway associated with tubulointerstitial injury, in which the proximal tubular epithelial cells (PTEC) are instrumental. Kidney injury molecule‐1 (KIM‐1) is an emerging biomarker, and its expression and release are induced in PTEC upon injury. KIM‐1 plays the role as a double‐edged sword and implicates in the process of kidney injury and healing. Expression of KIM‐1 is also associated with tubulointerstitial inflammation and fibrosis. More importantly, KIM‐1 expressing PTEC play the role as the residential phagocytes, contribute to the removal of apoptotic cells and facilitate the regeneration of injured tubules. The precise mechanism of KIM‐1 and its sheded ectodomain on restoration of tubular integrity after injury is not fully understood. Other than PTEC, macrophages (Mø) also implicate in tubular repair. Understanding the crosstalk between Mø and the injured PTEC is essential for designing appropriate methods for controlling the sophisticated machinery in tubular regeneration and healing. This article will review the current findings of KIM‐1, beginning with its basic structure, utility as a biomarker, and possible functions, with focus on the role of KIM‐1 in regeneration and healing of injured PTEC. J. Cell. Physiol. © 2013 Wiley Periodicals, Inc.
Simulation and experimentation on the gas holdup characteristics of a novel oscillating airlift loop reactor
Authors: Li Qiang , Zhao Xuebing , Cheng Keke , Du Wei , Liu Dehua 
Published: October 2012

AbstractBACKGROUND: The classical airlift loop reactor (ALR) has been widely used in petrochemical, biochemical, energy and environmental processes due to such advantages as simple structure, without motional mechanism, easy sealing and low energy consumption. A novel ALR has been designed using forced periodic reversible ventilation, termed an airlift reversible loop reactor (ARLR).RESULTS: Using computational fluid dynamics (CFD) simulation and experimental validation, the mass transfer characteristics of the ARLR were studied. The simulation results predicted the experimental data well, especially at low ventilation capacity. The oscillation period had significant effects on gas holdup and the mass transfer coefficient of the ARLR. When ventilation capacity was increased from 0.22 to 3.49 vvm, compared with central airlift and annular airlift reactors, ARLR increased the mass transfer coefficient by 9–31% and 10–58%, respectively, according to simulation results, and by 11–25% and 14–58%, respectively, according to experimental data.CONCLUSION: The results showed that the ARLR could significantly enhance gas holdup and mass transfer coefficient compared with traditional central airlift and annular airlift reactors. Results indicated that the optimum oscillation period decreased with increase of ventilation capacity. ARLR has the potential for application in aerobic fermentation. © 2012 Society of Chemical Industry
Hydrothermal catalytic production of fuels and chemicals from aquatic biomass
Authors: Yeh Thomas M. , Dickinson Jacob G. , Franck Allison , Linic Suljo , Thompson Levi T. , Savage Phillip E. 
Published: October 2012

AbstractOne of the promising avenues for biomass processing is the use of water as a reaction medium for wet or aquatic biomass. This review focuses on the hydrothermal catalytic production of fuels and chemicals from aquatic biomass. Two different regimes for conversion of aquatic biomass in hydrothermal conditions are discussed in detail. The first is hydrothermal liquefaction, and the second is hydrothermal gasification. The goals of these processes are to produce liquid‐fuel‐range hydrocarbons and methane or hydrogen, respectively. The catalytic upgrading of biocrude resulting from noncatalytic liquefaction and the stability and degradation of catalysts in high temperature water are also discussed. The review concludes with a brief discussion of the outlook for and opportunities within the field of hydrothermal catalytic valorization of biomass. Copyright © 2012 Society of Chemical Industry
Sampling requirements in DCE‐MRI based analysis of high grade gliomas: Simulations and clinical results
Authors: Larsson Christopher , Kleppestø Magne , Rasmussen Inge , Salo Raimo , Vardal Jonas , Brandal Petter , Bjørnerud Atle 
Published: October 2012

AbstractPurpose:To investigate the effect of variations in temporal resolution and total measurement times on the estimations of kinetic parameters derived from dynamic contrast‐enhanced (DCE) MRI in patients with high‐grade gliomas (HGGs).Materials and Methods:DCE‐MRI with high temporal resolution (dynamic sampling time (Ts) = 2.1 s and 3.4 s) and total sampling time (Tacq) of 5.2 min was acquired in 101 examinations from 15 patients. Using the modified Tofts model Ktrans, kep ve and vp were estimated. The effects of increasing Ts and reducing Tacq on the estimated kinetic parameters were estimated through down‐sampling and data truncation, and the results were compared with numerical simulations.Results:There was an overall dependence of all four kinetic parameters on Ts and Tacq. Increasing Ts resulted in under‐estimation of Ktrans and over‐estimation of Vp, whereas kep and Ve varied in a less predictable manner. Reducing Tacq resulted in over‐estimation of Ktrans and kep and under‐estimation of vp and ve. Increasing Ts and reducing Tacq resulted in increased relative error for all four parameters.Conclusion:Estimated Ktrans, Kep, and Ve in HGGs were within 15% of the high sampling rate reference values for Ts<20 s. Increasing Ts and reducing Tacq leads to reduced precision of the estimated values. J. Magn. Reson. Imaging 2013;37:818–829. © 2012 Wiley Periodicals, Inc.
Long echo time proton magnetic resonance spectroscopy for estimating relative measures of lipid unsaturation at 3 T
Authors: Troitskaia Alice , Fallone B. Gino , Yahya Atiyah 
Published: October 2012

AbstractPurpose:To examine the behavior of lipid olefinic and diallylic resonances as a function of PRESS (point resolved spectroscopy) echo time (TE) to determine an optimal long TE value for their measurement at 3 T.Materials and Methods:Experiments were conducted on nine oils (almond, canola, cod liver, corn, linseed, peanut, sesame, sunflower, and walnut oil) and on vertebral and tibial bone marrow in vivo at 3 T. The methylene (or methyl + methylene), diallylic, and olefinic resonances were measured with PRESS with multiple TEs.Results:J‐coupling evolution effects on the olefinic and diallylic peaks appeared to be minimized when TE = 200 msec. The TE = 200 msec olefinic/methylene and diallylic/methylene peak area ratios calculated for each oil correlated well with ratios deduced from oil compositions in the literature (R2 = 0.92 and 0.98 for the olefinic and diallylic protons, respectively). In addition, the relative amounts of bone marrow unsaturation of vertebral and tibial bone marrow inferred from the TE = 200 msec olefinic/(methyl + methylene) peak area ratio agreed with values estimated from the literature.Conclusion:A PRESS sequence with a long TE value of 200 msec is suitable for determining relative amounts of lipid unsaturation at 3 T. J. Magn. Reson. Imaging 2013;37:944–949. © 2012 Wiley Periodicals, Inc.