bluuebunny/crossref_metadata_2025 huggingface dataset:
Online measurements of the emissions of intermediate-volatility and semi-volatile organic compounds from aircraft
Authors: Cross E. S. , Hunter J. F. , Carrasquillo A. J. , Franklin J. P. , Herndon S. C. , Jayne J. T. , Worsnop D. R. , Miake-Lye R. C. , Kroll J. H.
Published: August 2013

Abstract. A detailed understanding of the climate and air quality impacts of aviation requires measurements of the emissions of intermediate-volatility and semi-volatile organic compounds (I/SVOCs) from aircraft. Currently both the amount and chemical composition of aircraft I/SVOC emissions remain poorly characterized. Here we characterize I/SVOC emissions from aircraft, using a novel instrument for the online, quantitative measurement of the mass loading and composition of low-volatility organic vapors. Emissions from the NASA DC8 aircraft were sampled on the ground 143 m downwind of the engines and characterized as a function of engine power from idle (4% maximum rated thrust) through 85% power. Results show that I/SVOC emissions are highest during engine idle operating conditions, with decreasing but non-zero I/SVOC emissions at higher engine powers. Comparison of I/SVOC emissions with total hydrocarbon (THC) measurements, VOC measurements, and an established emissions profile indicates that I/SVOCs comprise 10–20% of the total organic gas-phase emissions at idle, and an increasing fraction of the total gas-phase organic emissions at higher powers. Positive matrix factorization of online mass spectra is used to identify three distinct types of I/SVOC emissions: aliphatic, aromatic and oxygenated. The volatility and chemical composition of the emissions suggest that unburned fuel is the dominant source of I/SVOCs at idle, while pyrolysis products make up an increasing fraction of the I/SVOCs at higher powers. Oxygenated I/SVOC emissions were detected at lower engine powers (≤30%) and may be linked to cracked, partially oxidized or unburned fuel components.
Modified ultrafast thermometer UFT-M and temperature measurements during Physics of Stratocumulus Top (POST)
Authors: Kumala W. , Haman K. E. , Kopec M. K. , Khelif D. , Malinowski S. P.
Published: August 2013

Abstract. A modified UFT-M version of the ultrafast airborne thermometer UFT, aimed at in-cloud temperature measurements, was designed for the Physics of Stratocumulus Top (POST) field campaign. Improvements in its construction resulted in the sensor's increased reliability, which provided valuable measurements in 15 of the 17 flights. Oversampling the data allowed for the effective correction of the artefacts resulting from the interference with electromagnetic transmissions from on-board avionic systems and the thermal noise resulting from the sensor construction. The UFT-M records, when averaged to the 1.4 and 55 m resolutions, compared to the similar records of a thermometer in a Rosemount housing, indicate that the housing distorts even low-resolution airborne temperature measurements. Data collected with the UFT-M during the course of POST characterise the thermal structure of stratocumulus and capping inversion with the maximum resolution of ~1 cm. In this paper, examples of UFT-M records are presented and discussed.
Detecting tropical forest biomass dynamics from repeated airborne lidar measurements
Authors: Meyer V. , Saatchi S. S. , Chave J. , Dalling J. W. , Bohlman S. , Fricker G. A. , Robinson C. , Neumann M. , Hubbell S.
Published: August 2013

Abstract. Reducing uncertainty of terrestrial carbon cycle depends strongly on the accurate estimation of changes of global forest carbon stock. However, this is a challenging problem from either ground surveys or remote sensing techniques in tropical forests. Here, we examine the feasibility of estimating changes of tropical forest biomass from two airborne lidar measurements of forest height acquired about 10 yr apart over Barro Colorado Island (BCI), Panama. We used the forest inventory data from the 50 ha Center for Tropical Forest Science (CTFS) plot collected every 5 yr during the study period to calibrate the estimation. We compared two approaches for detecting changes in forest aboveground biomass (AGB): (1) relating changes in lidar height metrics from two sensors directly to changes in ground-estimated biomass; and (2) estimating biomass from each lidar sensor and then computing changes in biomass from the difference of two biomass estimates, using two models, namely one model based on five relative height metrics and the other based only on mean canopy height (MCH). We performed the analysis at different spatial scales from 0.04 ha to 10 ha. Method (1) had large uncertainty in directly detecting biomass changes at scales smaller than 10 ha, but provided detailed information about changes of forest structure. The magnitude of error associated with both the mean biomass stock and mean biomass change declined with increasing spatial scales. Method (2) was accurate at the 1 ha scale to estimate AGB stocks (R2 = 0.7 and RMSEmean = 27.6 Mg ha−1). However, to predict biomass changes, errors became comparable to ground estimates only at a spatial scale of about 10 ha or more. Biomass changes were in the same direction at the spatial scale of 1 ha in 60 to 64% of the subplots, corresponding to p values of respectively 0.1 and 0.033. Large errors in estimating biomass changes from lidar data resulted from the uncertainty in detecting changes at 1 ha from ground census data, differences of approximately one year between the ground census and lidar measurements, and differences in sensor characteristics. Our results indicate that the 50 ha BCI plot lost a significant amount of biomass (−0.8 Mg ha−1 yr−1 ± 2.2(SD)) over the past decade (2000–2010). Over the entire island and during the same period, mean AGB change was 0.2 ± 2.4 Mg ha−1 yr−1 with old growth forests losing −0.7 Mg ha−1 yr−1 ± 2.2 (SD), and secondary forests gaining +1.8 Mg ha yr−1 ± 3.4 (SD) biomass. Our analysis suggests that repeated lidar surveys, despite taking measurement with different sensors, can estimate biomass changes in old-growth tropical forests at landscape scales (>10 ha).
Initial spread of 137Cs from the Fukushima Dai-ichi Nuclear Power Plant over the Japan continental shelf: a study using a high-resolution, global-coastal nested ocean model
Authors: Lai Z. , Chen C. , Beardsley R. , Lin H. , Ji R. , Sasaki J. , Lin J.
Published: August 2013

Abstract. The 11 March 2011 tsunami triggered by the M9 and M7.9 earthquakes off the Tōhoku coast destroyed facilities at the Fukushima Dai-ichi Nuclear Power Plant (FNPP) leading to a significant long-term flow of the radionuclide 137Cs into coastal waters. A high-resolution, global-coastal nested ocean model was first constructed to simulate the 11 March tsunami and coastal inundation. Based on the model's success in reproducing the observed tsunami and coastal inundation, model experiments were then conducted with differing grid resolution to assess the initial spread of 137Cs over the eastern shelf of Japan. The 137Cs was tracked as a conservative tracer (without radioactive decay) in the three-dimensional model flow field over the period of 26 March–31 August 2011. The results clearly show that for the same 137Cs discharge, the model-predicted spreading of 137Cs was sensitive not only to model resolution but also the FNPP seawall structure. A coarse-resolution (∼2 km) model simulation led to an overestimation of lateral diffusion and thus faster dispersion of 137Cs from the coast to the deep ocean, while advective processes played a more significant role when the model resolution at and around the FNPP was refined to ∼5 m. By resolving the pathways from the leaking source to the southern and northern discharge canals, the high-resolution model better predicted the 137Cs spreading in the inner shelf where in situ measurements were made at 30 km off the coast. The overestimation of 137Cs concentration near the coast is thought to be due to the omission of sedimentation and biogeochemical processes as well as uncertainties in the amount of 137Cs leaking from the source in the model. As a result, a biogeochemical module should be included in the model for more realistic simulations of the fate and spreading of 137Cs in the ocean.
Erosion-induced massive organic carbon burial and carbon emission in the Yellow River basin, China
Authors: Ran L. , Lu X. X. , Xin Z.
Published: August 2013

Abstract. Soil erosion and terrestrial deposition of soil organic carbon (SOC) can potentially play a significant role in global carbon cycling. Assessing the fate of SOC during erosion and subsequent transport and sedimentation is of critical importance. Using hydrological records of soil erosion and sediment load, and compiled organic carbon (OC) data, budgets of the eroded soils and OC induced by water in the Yellow River basin during 1950–2010 were analyzed. The Yellow River basin has experienced intense soil erosion due to integrated impact of natural process and human activity. Over the period, 134.2 ± 24.7 Gt of soils and 1.07 ± 0.26 Gt of OC have been eroded from slope lands based on a soil erosion rate of 1.7–2.5 Gt yr–1. Among the produced sediment, approximately 63% of it was deposited on land, while only 37% was discharged into the ocean. For the OC budget, approximately 0.53 ± 0.18 Gt (49.5%) was buried on land, 0.25 ± 0.14 Gt (23.5%) was delivered into the ocean, and the remaining 0.289 ± 0.202 Gt (27%) was decomposed during the erosion and transport processes. This validates the commonly used assumption that 20–40% of the eroded OC would be oxidized after erosion. Erosion-induced OC transport in the basin likely represents an atmospheric carbon source. In addition, about half of the terrestrially redeposited OC (around 49.4%) was buried in reservoirs and behind silt check dams, revealing the importance of dam sedimentation in trapping the eroded OC. Although with several uncertainties to be better constrained, the obtained budgetary results provide a means of assessing the potential fates of the eroded OC within the Yellow River basin.
A lower and more constrained estimate of climate sensitivity using updated observations and detailed radiative forcing time series
Authors: Skeie R. B. , Berntsen T. , Aldrin M. , Holden M. , Myhre G.
Published: August 2013

Abstract. The equilibrium climate sensitivity (ECS) is constrained based on observed near-surface temperature change, changes in ocean heat content (OHC) and detailed radiative forcing (RF) time series from pre-industrial times to 2010 for all main anthropogenic and natural forcing mechanism. The RF time series are linked to the observations of OHC and temperature change through an energy balance model and a stochastic model, using a Bayesian approach to estimate the ECS and other unknown parameters from the data. For the net anthropogenic RF the posterior mean in 2010 is 2.1 W m−2 with a 90% credible interval (C.I.) of 1.3 to 2.8 W m−2, excluding present day total aerosol effects (direct + indirect) stronger than −1.7 W m−2. The posterior mean of the ECS is 1.8 °C with 90% C.I. ranging from 0.9 to 3.2 °C which is tighter than most previously published estimates. We find that using 3 OHC data sets simultaneously substantially narrows the range in ECS, while using only one set and similar time periods can produce comparable results as previously published estimates including the heavy tail in the probability function. The use of additional 10 yr of data for global mean temperature change and ocean heat content data narrow the probability density function of the ECS. In addition when data only until year 2000 is used the estimated mean of ECS is 20% higher. Explicitly accounting for internal variability widens the 90% C.I. for the ECS by 60%, while the mean ECS only becomes slightly higher.
A simple explanation for the sensitivity of the hydrologic cycle to global climate change
Authors: Kleidon A. , Renner M.
Published: August 2013

Abstract. The global hydrologic cycle is likely to increase its strength with global warming. Climate models generally predict an increase in strength of 2.2% K−1, which is much weaker than what would be expected from the increase in saturation vapor pressure of 6.5% K−1. Furthermore, it has been reported that the sensitivity of the hydrologic cycle to surface temperature differences caused by solar radiation is about 50% greater than by an equivalent difference induced by the greenhouse effect. Here we show that these sensitivities can be derived analytically from an extremely simple surface energy balance model that is constrained by the assumption that vertical convective transport within the atmosphere operates at maximum power. Using current climatic mean conditions, this model predicts a sensitivity of the hydrologic cycle of 2.2% K−1 to surface temperature induced by differences in the greenhouse effect, and a sensitivity of 3.2% K−1 for differences caused by absorbed solar radiation. These sensitivities can be explained by considering the changes in the surface energy balance in which the heating by solar radiation is partitioned equally into radiative and turbulent cooling at a state of maximum power of convective exchange. This explanation emphasizes the different roles that solar and terrestrial radiation play in the surface energy balance and hydrologic cycling that cannot be lumped together into a radiative forcing concept. We illustrate one implication of this explanation for the case of geoengineering, which aims to undo surface temperature differences by solar radiation management, but will nevertheless result in substantial differences in hydrologic cycling due to the difference in sensitivities. We conclude that the overall sensitivity of the hydrologic cycle to surface temperature can be understood and predicted by very simple physical considerations.
Derived flood frequency analysis using different model calibration strategies based on various types of rainfall–runoff data – a comparison
Authors: Haberlandt U. , Radtke I.
Published: August 2013

Abstract. Derived flood frequency analysis allows to estimate design floods with hydrological modelling for poorly observed basins considering change and taking into account flood protection measures. There are several possible choices about precipitation input, discharge output and consequently regarding the calibration of the model. The objective of this study is to compare different calibration strategies for a hydrological model considering various types of rainfall input and runoff output data sets. Event based and continuous observed hourly rainfall data as well as disaggregated daily rainfall and stochastically generated hourly rainfall data are used as input for the model. As output short hourly and longer daily continuous flow time series as well as probability distributions of annual maximum peak flow series are employed. The performance of the strategies is evaluated using the obtained different model parameter sets for continuous simulation of discharge in an independent validation period and by comparing the model derived flood frequency distributions with the observed one. The investigations are carried out for three mesoscale catchments in Northern Germany with the hydrological model HEC-HMS. The results show that: (i) the same type of precipitation input data should be used for calibration and application of the hydrological model, (ii) a model calibrated using a small sample of extreme values works quite well for the simulation of continuous time series with moderate length but not vice versa, (iii) the best performance with small uncertainty is obtained when stochastic precipitation data and the observed probability distribution of peak flows are used for model calibration. This outcome suggests to calibrate a hydrological model directly on probability distributions of observed peak flows using stochastic rainfall as input if its purpose is the application for derived flood frequency analysis.
Radiological data on building stones from a Spanish region: Castilla y León
Authors: Pereira A. , Pereira D. , Neves L. , Peinado M. , Armenteros I.
Published: August 2013

Abstract. As construction and building material, natural stone has a great potential to promote the commercial activities of certain European regions. Such is the case of Castilla y León in Spain, where many different rocks, ranging from sedimentary to metamorphic and igneous, are commercialized for building purposes. However, to be able to compete in a market subject to an economic crisis, highly exacerbated in the construction sector, and to compete with the lower prices offered by emerging countries, the issue would be to make the Spanish offer more attractive. Here we propose a complete characterization of rocks regarding their radiological properties, which are related to their mineralogy and geochemistry. Rocks emit natural radioactivity and the presence of Rn and its decay products in dwellings has become an important issue in North America and Europe owing to its relationship with the carcinogenic effects of this gas. Although most of the rocks studied are within the European Norm 112 for Radiology Protection I values accepted in the Euratom Basic Safety Standards Directive (accepted value I≤1; average for sedimentary rock: I=0.22, SD 0.14; average for metamorphic rocks: I=0.70, SD 0.48; average for igneous rock: I=0.86, SD 0.22), the inclusion of a proper radiological characterization in the list of characteristics would guarantee quality and safety in their use in comparison with products lacking this information. Some natural stones have been demonized for the potential exhalation of natural radioactivity and the different parameters used should be addressed in a more systematic way.
Voluntary Programs to Encourage Diffusion: The Case of the Combined Heat-and-Power Partnership
Authors: Ferrara Andreas , Lange Ian
Published: August 2013

In the last decade, voluntary environmental programs have increased considerably in number and scope. A novel use of these programs is to diffuse new technology in industry as means to improving their environmental outcomes. This paper tests whether the U.S. Environmental Protection Agency’s Combined Heat-and-Power (CHP) Partnership has encouraged the diffusion of CHP systems. Using a nearest neighbor matching estimator with electricity plant data and conditional logit estimation for electricity and manufacturing plants in the U.S., we find evidence that the program has helped CHP systems spread, controlling for the selection of firms into the partnership. On average partner firms have a 3% higher probability of installing CHP.
On the asymptotic behavior of the Durbin–Watson statistic for ARX processes in adaptive tracking
Authors: Bercu Bernard , Portier Bruno , Vazquez Victor
Published: August 2013

A wide literature is available on the asymptotic behavior of the Durbin–Watson statistic for autoregressive models. However, it is impossible to find results on the Durbin–Watson statistic for autoregressive models with adaptive control. Our purpose is to fill the gap by establishing the asymptotic behavior of the Durbin–Watson statistic for ARX models in adaptive tracking. On the one hand, we show the almost sure convergence as well as the asymptotic normality of the least squares estimators of the unknown parameters of the ARX models. On the other hand, we establish the almost sure convergence of the Durbin–Watson statistic and its asymptotic normality. Finally, we propose a bilateral statistical test for residual autocorrelation in adaptive tracking. Copyright © 2013 John Wiley & Sons, Ltd.
Charge Storage Capacity of Renewable Biopolymer/Conjugated Polymer Interpenetrating Networks Enhanced by Electroactive Dopants
Authors: Nagaraju D. H. , Rebis Tomasz , Gabrielsson Roger , Elfwing Anders , Milczarek Grzegorz , Inganäs Olle
Published: August 2013

Renewable materials are requested for large scale electrical storage, a coming necessity with the growth of intermittent solar and wind renewable electricity generation. Biopolymers are a source of inexpensive materials, in particular through the use of black liquor from paper production, a waste product. Interpenetrating networks of the biopolymer lignosulfonate (Lig) and conjugated polymer polypyrrole (Ppy) are synthesized by galvanostatic polymerization from pyrrole/lignosulfonate mixture in acidic aqueous electrolyte. Methoxy and phenolic functional group present in the non‐conducting lignosulfonate are converted to quinone groups. The redox chemistry of quinones is used for charge storage, along with charge storage in polypyrrole. A large variation of the electrochemical activity between lignosulfonates obtained from different sources is observed. The charge storage capacities are significantly enhanced by also including another electroactive dopant, anthraquinone sulfonate (AQS). AQS redox peaks act as an internal reference (standard) to probe the redox electrochemistry of Lig. The synthesized Ppy(Lig) and Ppy(Lig‐AQS) electrodes are characterized by cyclic voltammetry, galvanostatic charge‐discharge cycling, electrochemical quartz crystal microbalance, and atomic force microscopy.
Optimized 4‐V Spinel Cathode Material with High Energy Density for Li‐Ion Cells Operating at 60 °C
Authors: Lee Sanghan , Jeong Minseul , Cho Jaephil
Published: August 2013

Spinel cathodes comprising 16‐μm, AlPO4‐coated Li1.09Mn1.83Al0.08O4 with a high energy density of 1.2 W h cm‐3 are synthesized via a conventional solid‐state reaction using MnO2 and Li2CO3 at 770 °C for 10 h and using a solution‐based coating method in bulk scale (>20 kg). The cathodes are coated by aluminum phosphate at a thickness of <10 nm. The coated cathodes exhibit a first discharge capacity of 108 mA·h g‐1 and a coulombic efficiency of >99.8%, and their capacity retention is 78% after 200 cycles at a 0.5C rate in a Li‐ion cell under 60 °C. More importantly, a Li‐ion cell containing the coated cathode does not exhibit a swelling problem after 200 cycles at 60 °C. Transmission and scanning electron microscopy suggest that the uniformly distributed AlPO4 coating and the possible formation of a solid solution phase along the surface play key roles in enhancing the electrochemical performance of the LiMn2O4 spinel at 60 °C.
Analysis of a nonisothermal simulated moving‐bed reactor
Authors: Xu Jin , Liu Yuming , Xu Guoqian , Yu Weifang , Ray Ajay K.
Published: August 2013

Simulated moving‐bed reactor (SMBR) is a multifunctional reactor wherein in situ separation of the products facilitates the reversible reaction to completion beyond thermodynamic equilibrium and at the same time obtaining products of high purity. In this work, we investigate the feasibility of introducing variances in adsorption strength, which has recently been proven to effectively improve SMB performance for pure separation, into an SMB system to include reactions. Synthesis of methyl acetate catalyzed by amberlyst 15 is considered as model system. Numerical simulations were carried out for an SMBR unit consisting of four columns and operated with various temperature distributions in the range of 308–323 K. SMBR productivities were evaluated and compared under the constraints of complete conversion and complete product separation. The effects of kinetics, heat transfer efficiency and adsorption strength of reactant were systematically investigated. © 2013 American Institute of Chemical Engineers AIChE J, 59: 4705–4714, 2013
Efficacy and safety of deferasirox compared with deferoxamine in sickle cell disease: Two‐year results including pharmacokinetics and concomitant hydroxyurea
Authors: Vichinsky Elliott , Torres Marcela , Minniti Caterina P. , Barrette Stephane , Habr Dany , Zhang Yiyun , Files Beatrice ,   on behalf of the study CICL670A2201 investigators
Published: August 2013

We report a prospective, randomized, Phase II study of deferasirox and deferoxamine (DFO) in sickle cell disease patients with transfusional iron overload, with all patients continuing on deferasirox after 24 weeks, for up to 2 years. The primary objective was to evaluate deferasirox safety compared with DFO; long‐term efficacy and safety of deferasirox was also assessed. We also report, for the first time, the safety and pharmacokinetics of deferasirox in patients concomitantly receiving hydroxyurea. Deferasirox (n = 135) and DFO (n = 68) had comparable safety profiles over 24 weeks. Adverse events (AEs) secondary to drug administration were reported in 26.7% of patients in the deferasirox cohort and 28.6% in the DFO cohort. Gastrointestinal disorders were more common with deferasirox, including diarrhea (10.4% versus 3.6%) and nausea (5.2% versus 3.6%). The most common AE in the DFO group was injection‐site pain irritation, which occurred in 7% of patients. Acute renal failure occurred in one patient on deferasirox who was continued on medication despite progressive impairment of renal function parameters. Serum ferritin levels were reduced in both treatment groups. Patients continuing on deferasirox for up to 2 years demonstrated an absolute median serum ferritin decrease of −614 ng/mL (n = 96). Increasing deferasirox dose was associated with improved response and a continued manageable safety profile. Concomitant hydroxyurea administration (n = 28) did not appear to influence the efficacy, safety (including liver and kidney function), and pharmacokinetic parameters of deferasirox. Am. J. Hematol. 88:1068–1073, 2013. © 2013 The Authors. American Journal of Hematology published by Wiley Periodicals LLC.
Latest trends in feedstocks for biodiesel production
Authors: Pinzi Sara , Leiva David , López‐García Isabel , Redel‐Macías M. Dolores , Dorado M. Pilar
Published: August 2013

Edible seed oil biodiesel has been criticized due to its low sustainability and potential conflict with food and fiber production for the use of arable land, besides high water and fertilizer requirements. In this context, biodiesel from non‐edible sources, like animal fat, waste oil, insect oil, or single cell oil constitutes an alternative biofuel that omits the previous drawbacks. In this review and taking into account the previous consideration, the most interesting feedstocks for biodiesel production are shown. While frying oils and animal fats constitute the most extensively studied non‐edible raw materials for biodiesel production, soapstocks are gaining interest among the scientific community. Finally, promising feedstocks for biodiesel production, such as microbial oil (also named single cell oil), insect oil, or microdiesel are reviewed. © 2013 Society of Chemical Industry and John Wiley & Sons, Ltd
Smarter neuronal signaling complexes from existing components: How regulatory modifications were acquired during animal evolution
Authors: Thomas Gareth M. , Hayashi Takashi
Published: August 2013

Neurons of organisms with complex and flexible behavior, especially humans, must precisely control protein localization and activity to support higher brain functions such as learning and memory. In contrast, simpler organisms generally have simpler individual neurons, less complex nervous systems and display more limited behaviors. Strikingly, however, many key neuronal proteins are conserved between organisms that have very different degrees of behavioral complexity. Here we discuss a possible mechanism by which conserved neuronal proteins acquired new attributes that were crucial in the evolution of complexity of nervous system structure and function. Specifically, we hypothesize that vertebrate‐specific post‐translational palmitoylation sites and PDZ‐binding protein‐protein interaction motifs act as gain‐of‐function mutations, increasing the regulatory potential of conserved proteins without affecting their core functions. We further hypothesize that the additional regulation of neurotransmitter receptors and other membrane proteins made possible by these sites and motifs is critical for the function of complex nervous systems.
Optimized butyl butyrate synthesis catalyzed by Thermomyces lanuginosus lipase
Authors: Martins Andréa B. , Friedrich John L. R. , Rodrigues Rafael C. , Garcia‐Galan Cristina , Fernandez‐Lafuente Roberto , Ayub Marco A. Z.
Published: August 2013

Butyl butyrate is an ester present in pineapple flavor, which is very important for the food and beverages industries. In this work, the optimization of the reaction of butyl butyrate synthesis catalyzed by the immobilized lipase Lipozyme TL‐IM was performed. n‐Hexane was selected as the most appropriate solvent. Other reaction parameters such as temperature, substrate molar ratio, biocatalyst content and added water, and their responses measured as yield, were evaluated using a fractional factorial design, followed by a central composite design (CCD) and response surface methodology. In the fractional design 24–1, the four variables were tested and temperature and biocatalyst content were statistically significant and then used for optimization on CCD. The optimal conditions for butyl butyrate synthesis were found to be 48°C; substrate molar ratio 3:1 (butanol:butyric acid); biocatalyst content of 40% of acid mass. Under these conditions, over 90% of yield was obtained in 2 h. Enzyme reuse was tested by washing the biocatalyst with n‐hexane or by direct reuse. The direct reuse produced a rapid decrease on enzyme activity, while washing with n‐hexane allowed reusing the enzyme for five reactions cycles keeping approximately 85% of its activity. © 2013 American Institute of Chemical Engineers Biotechnol. Prog., 29:1416–1421, 2013
A performance/cost model for a CUDA drug discovery application on physical and public cloud infrastructures
Authors: Guerrero Ginés D. , Wallace Richard M. , Vázquez‐Poletti José L. , Cecilia José M. , García José M. , Mozos Daniel , Pérez‐Sánchez Horacio
Published: August 2013

Virtual Screening (VS) methods can considerably aid drug discovery research, predicting how ligands interact with drug targets. BINDSURF is an efficient and fast blind VS methodology for the determination of protein binding sites, depending on the ligand, using the massively parallel architecture of graphics processing units(GPUs) for fast unbiased prescreening of large ligand databases. In this contribution, we provide a performance/cost model for the execution of this application on both local system and public cloud infrastructures. With our model, it is possible to determine which is the best infrastructure to use in terms of execution time and costs for any given problem to be solved by BINDSURF. Conclusions obtained from our study can be extrapolated to other GPU‐based VS methodologies.Copyright © 2013 John Wiley & Sons, Ltd.
Combined orthogonal physical‐layer network coding over fading two‐way relay channels
Authors: Li Bo , Chong Peter Han Joo , Wang Gang , Yang Hongjuan , Guan Yongliang
Published: August 2013

This paper proposes a new physical‐layer network coding (PNC) scheme, named combined orthogonal PNC (COPNC), for fading two‐way relay channels. The scheme is based on orthogonal PNC (OPNC). In the scheme, the two source nodes employ orthogonal carriers, and the relay node makes an orthogonal combining of the two information bits rather than exclusive or (XOR), which is employed in most PNC schemes. The paper also analyzes the bit error rate (BER) performance of PNC, OPNC, and COPNC for Rayleigh fading model. Simulation results for Rayleigh and Nakagami‐m fading channels show that COPNC can provide outstanding BER performance compared with PNC and OPNC, especially when the uplink channel conditions are asymmetric. The results in Nakagami‐m channels also imply that COPNC will provide higher BER gain with more severe fading depth. Potential works about COPNC are also presented in this paper. Copyright © 2013 John Wiley & Sons, Ltd.
Virus infection control in online social networks based on probabilistic communities
Authors: Liu Bing‐Hong , Hsu Yu‐Ping , Ke Wei‐Chieh
Published: August 2013

With the rapid progress of the Internet, more and more people socialize and make new friends through online social network sites and applications, such as Facebook, Twitter, and MSN Messenger. The number of users of these online social network sites and applications has increased significantly within a short period. Unfortunately, online social networks are often the platforms that propagate malicious software, such as viruses. The malicious software is spread by infected users who automatically send fake requests to other users. After accepting the fake requests, the users are infected. In a realistic environment, everyone can decide whether to accept or decline a request, and thus, we study how to construct and use community structures to efficiently control virus propagation in online social networks whose users each have a probability, namely, inclination, of accepting a request. In this paper, a community detection algorithm is proposed to detect communities in online social networks. In addition, a number of users are selected from the communities for patching and controlling virus propagation. Simulation results show that our proposed method provides good performance in terms of the number of distributed patches.Copyright © 2013 John Wiley & Sons, Ltd.
Simultaneous determination of pharmaceutical components in dietary supplements for weight loss by capillary electrophoresis tandem mass spectrometry
Authors: Akamatsu Shigeki , Mitsuhashi Takao
Published: August 2013

A simple capillary electrophoresis tandem mass spectrometry method was developed for the simultaneous determination of 20 pharmaceutical components such as cathartics and appetite suppressants in dietary supplements for weight loss. This method allowed multidrug target screening and confirmation in differing radically in chemical structure. The separation was achieved on an uncoated fused‐silica capillary using 20 mM ammonium formate in 20 % v/v acetonitrile‐water (pH 8.0) as the electrolyte, followed by detection mixed with a sheath liquid that consisted of a mixture of 5 mM ammonium formate and 0.1 % v/v formic acid in 50 % v/v methanol‐water. Samples were hydrodynamically injected and separated at 30 kV within 25 min. The limits of detection were 1.0–750 µg/g for the target analytes. The method was successfully applied to 12 dietary supplements for weight loss and 3 non‐prescription drugs. The proposed method was suitable as the determination and identification of pharmaceutical components in dietary supplements for weight loss. Copyright © 2013 John Wiley & Sons, Ltd.
Simultaneous ESI‐APCI(+) ionization and fragmentation pathways for nine benzodiazepines and zolpidem using single quadrupole LC‐MS
Authors: Galaon Toma , Vacaresteanu Catalina , Anghel Dan‐Florin , David Victor
Published: August 2013

Nine important 1,4‐benzodiazepines and zolpidem were characterized by liquid chromatography‐mass spectrometry using a multimode ionization source able to generate ions using both electrospray ionization (ESI) and atmospheric pressure chemical ionization (APCI), and a single quadrupole mass analyzer. An optimum chromatographic separation was applied for all target compounds in less than 8 minutes using a Zorbax Eclipse Plus column (100 × 4.6 mm, 3.5 µm) kept at 35°C and a 0.3% HCOOH/ACN/IPA (61:34:5) mobile phase pumped at 1 ml/min. Optimization of LC‐MS method generated low limit of quantitation (LOQ) values situated in the range 0.3–20.5 ng/ml. Comparison between differences in method sensitivity, under specified chromatographic conditions, when using ESI‐only, APCI‐only, and simultaneous ESI‐APCI ionization with such a multimode source was discussed. Mixed ESI‐APCI(+) mode proved to be the most sensitive ionization generating an average 35% detector response increase compared to ESI‐only ionization and 350% detector response increase with respect to APCI‐only ionization. Characterization of the nine benzodiazepines and zolpidem concerning their MS fragmentation pathway following ‘in‐source’ collision‐induced dissociation is discussed in detail and some general trends regarding these fragmentations are set. Copyright © 2013 John Wiley & Sons, Ltd.
Compact City Development and the Challenge of Environmental Policy Integration: A Multi‐Level Governance Perspective
Authors: van Stigt Rien , Driessen Peter P. J. , Spit Tejo J. M.
Published: August 2013

Sustainable urban development entails integration of environmental interests into decision‐making at the local level. To achieve this, higher tiers of government may compel municipalities to explicitly consider environmental objectives or even prioritize them by demanding compliance with national standards, thus, at least theoretically, restricting local government's room to manoeuvre in balancing all relevant interests. This paper explores the extent to which national standards narrow the range of local options and what this means for sustainable urban development. Adopting a multi‐level governance perspective on three cases of inner‐city redevelopment, we find that environmental standards are either not problematically restrictive or, if they are, sectoral policy offers ways to circumvent them. From a sustainability perspective, this may lead to undesirable outcomes. A combination of approaches may solve this predicament. Copyright © 2013 John Wiley & Sons, Ltd and ERP Environment
Implementation of online model updating in hybrid simulation
Authors: Hashemi M. Javad , Masroor Armin , Mosqueda Gilberto
Published: August 2013

Hybrid simulation combines numerical and experimental methods for cost‐effective, large‐scale testing of structures under simulated earthquake loading. Structural system level response can be obtained by expressing the equation of motion for the combined experimental and numerical substructures, and solved using time‐stepping integration similar to pure numerical simulations. It is often assumed that a reliable model exists for the numerical substructures while the experimental substructures correspond to parts of the structure that are difficult to model. A wealth of data becomes available during the simulation from the measured experiment response that can be used to improve upon the numerical models, particularly if a component with similar structural configuration and material properties is being tested and subjected to a comparable load pattern. To take advantage of experimental measurements, a new hybrid test framework is proposed with an updating scheme to update the initial modeling parameters of the numerical model based on the instantaneously‐measured response of the experimental substructures as the test progresses. Numerical simulations are first conducted to evaluate key algorithms for the selection and calibration of modeling parameters that can be updated. The framework is then expanded to conduct actual hybrid simulations of a structural frame model including a physical substructure in the laboratory and a numerical substructure that is updated during the tests. The effectiveness of the proposed framework is demonstrated for a simple frame structure but is extendable to more complex structural behavior and models. Copyright © 2013 John Wiley & Sons, Ltd.
Finite volume element methods for nonequilibrium radiation diffusion equations
Authors: Zhao Xiukun , Chen Yanli , Gao Yanni , Yu Changhua , Li Yonghai
Published: August 2013

Nonequilibrium radiation diffusion problems are described by the coupled radiation diffusion and material conduction equations. Because of the highly nonlinear, strong discontinuous, and tightly coupled phenomena, solving this kind of problems is a challenge. We construct two finite volume element schemes for the equations. One of them is monotone on many kinds of meshes, which is proved theoretically and verified by numerical tests. The other one is hard to satisfy the monotonicity, but this defect can be corrected by different repair techniques. Numerical results show that these new methods are practical and efficient on distorted meshes.Copyright © 2013 John Wiley & Sons, Ltd.
Nature and distribution of slab‐derived fluids and mantle sources beneath the Southeast Mariana forearc rift
Authors: Ribeiro Julia M. , Stern Robert J. , Kelley Katherine A. , Martinez Fernando , Ishizuka Osamu , Manton William I. , Ohara Yasuhiko
Published: August 2013

Subduction zone magmas are produced by melting depleted mantle metasomatized by fluids released from the subducted slab. In most subduction zones, formation of backarc basin (BAB) and arc magmas depletes the mantle source toward the trench, resulting in more depleted mantle beneath the forearc. Slab‐derived fluids are aqueous beneath the forearc where the slab dehydrates, and the deeper subduction component is increasingly dominated by sediment melt at ≥100 km depth. In this study, we present new data for the Southeast Mariana forearc rift (SEMFR), an unusual region of forearc igneous activity, where 2.7–3.7 Ma lavas were recovered by Shinkai 6500 diving and dredged during the TN273 Thomas Thompson cruise. SEMFR is divided into SE (near the trench) and NW (near the arc) sectors. NW SEMFR lavas and glassy rinds are more depleted in melt‐mobile elements (e.g., Nb and Yb) and more enriched in fluid‐mobile elements (e.g., Cs, Rb, and Ba). SEMFR lavas were produced by partial melting of a BAB‐like mantle source, metasomatized by sediment melt and aqueous fluids released from dehydrating the subducted oceanic crust, and the forearc serpentinized peridotites. Evidence of sediment melt, even in SE SEMFR lavas, could be explained by inheritance of BAB‐like Th/Nb in the SEMFR mantle source. Geochemical mapping demonstrates that the subduction components and mantle depletion increase towards the arc, suggesting (i) input of a less‐depleted mantle beneath SE SEMFR that flowed toward the arc and (ii) aqueous slab‐derived fluids become increasingly important at ∼50–100 km depth, reflecting that phengite and barite from the downgoing plate and forearc serpentinite broke down beneath the arc volcanoes.
Dynamics of ice mass deformation: Linking processes to rheology, texture, and microstructure
Authors: Piazolo Sandra , Wilson Christopher J. L. , Luzin Vladimir , Brouzet Christophe , Peternell Mark
Published: August 2013

Prediction of glacier and polar ice sheet dynamics is a major challenge, especially in view of changing climate. The flow behavior of an ice mass is fundamentally linked to processes at the grain and subgrain scale. However, our understanding of ice rheology and microstructure evolution based on conventional deformation experiments, where samples are analyzed before and after deformation, remains incomplete. To close this gap, we combine deformation experiments with in situ neutron diffraction textural and grain analysis that allows continuous monitoring of the evolution of rheology, texture, and microstructure. We prepared ice samples from deuterium water, as hydrogen in water ice has a high incoherent neutron scattering rendering it unsuitable for neutron diffraction analysis. We report experimental results from deformation of initially randomly oriented polycrystalline ice at three different constant strain rates. Results show a dynamic system where steady‐state rheology is not necessarily coupled to microstructural and textural stability. Textures change from a weak single central c axis maxima to a strong girdle distribution at 35° to the compression axis attributed to dominance of basal slip followed by basal combined with pyramidal slip. Dislocation‐related hardening accompanies this switch and is followed by weakening due to new grain nucleation and grain boundary migration. With decreasing strain rate, grain boundary migration becomes increasingly dominant and texture more pronounced. Our observations highlight the link between the dynamics of processes competition and rheological and textural behavior. This link needs to be taken into account to improve ice mass deformation modeling critical for climate change predictions.
A study of cortical morphology in children with fetal alcohol spectrum disorders
Authors: De Guio François , Mangin Jean‐François , Rivière Denis , Perrot Matthieu , Molteno Christopher D. , Jacobson Sandra W. , Meintjes Ernesta M. , Jacobson Joseph L.
Published: August 2013

Prenatal alcohol exposure is responsible for a broad range of brain structural malformations, which can be studied using magnetic resonance imaging (MRI). Advanced MRI methods have emerged to characterize brain abnormalities, but the teratogenic effects of alcohol on cortical morphology have received little attention to date. Twenty‐four 9‐year‐old children with fetal alcohol spectrum disorders (9 with fetal alcohol syndrome, 15 heavy exposed nonsyndromal children) and 16 age‐matched controls were studied to assess the effect of alcohol consumption during pregnancy on cortical morphology. An automated method was applied to 3D T1‐weighted images to assess cortical gyrification using global and regional sulcal indices and two region‐based morphological measurements, mean sulcal depth and fold opening. Increasing levels of alcohol exposure were related to reduced cortical folding complexity, even among children with normal brain size, indicating a reduction of buried cortical surface. Fold opening was the strongest anatomical correlate of prenatal alcohol intake, indicating a widening of sulci in all regions that were examined. These data identify cortical morphology as a suitable marker for further investigation of brain damage associated with prenatal alcohol exposure. Hum Brain Mapp 35:2285–2296, 2014. © 2013 Wiley Periodicals, Inc.
THE IMPACT OF TECHNOLOGICAL INTENSITY OF SERVICE PROVISION ON PHYSICIAN EXPENDITURES: AN EXPLORATORY INVESTIGATION
Authors: Roham Mehrdad , Gabrielyan Anait R. , Archer Norman P. , Grignon Michel L. , Spencer Byron G.
Published: August 2013

Advances in technology and subsequent changes in clinical practice can lead to increases in healthcare costs. Our objective is to assess the impact that changes in the technological intensity of physician‐provided health services have had on the age pattern of both the volume of services provided and the average expenditures associated with them. We based our analysis on age‐sex‐specific patient‐level administrative records of diagnoses and treatments. These records include virtually all physician services provided in the province of Ontario, Canada in a 10‐year span ending in 2004 and their associated costs. An algorithm is developed to classify services and their costs into three levels of technological intensity. We find that while the overall age‐standardized level and cost of services per capita have decreased, the volume and cost of high technologically intensive treatments have increased, especially among older patients. Copyright © 2013 John Wiley & Sons, Ltd.