bluuebunny/crossref_metadata_2025_split huggingface dataset:
London Dispersion in Molecular Chemistry—Reconsidering Steric Effects
Authors: Wagner J. Philipp , Schreiner Peter R. 
Published: August 2015

AbstractLondon dispersion, which constitutes the attractive part of the famous van der Waals potential, has long been underappreciated in molecular chemistry as an important element of structural stability, and thus affects chemical reactivity and catalysis. This negligence is due to the common notion that dispersion is weak, which is only true for one pair of interacting atoms. For increasingly larger structures, the overall dispersion contribution grows rapidly and can amount to tens of kcal mol−1. This Review collects and emphasizes the importance of inter‐ and intramolecular dispersion for molecules consisting mostly of first row atoms. The synergy of experiment and theory has now reached a stage where dispersion effects can be examined in fine detail. This forces us to reconsider our perception of steric hindrance and stereoelectronic effects. The quantitation of dispersion energy donors will improve our ability to design sophisticated molecular structures and much better catalysts.
An Indirect Adaptive Fuzzy Control Scheme for a Class of Nonlinear Systems
Authors: Kar Indrani 
Published: August 2015

AbstractThis paper presents an indirect adaptive control scheme, for a class of nonlinear systems in controller canonical form. Owing to the universal approximation property of a Takagi–Sugeno (T–S) fuzzy model, controller design is simplified by utilizing the T–S fuzzy model representation of a nonlinear system. An adaptation mechanism ensures that the estimator model asymptotically follow the actual T–S fuzzy model and thus removes the need of any a priori identification of the T–S fuzzy model of the system. The overall controller gain is a convex combination of the local linear gains which vary adaptively to ensure the convergence of the tracking error. Preliminary simulation results indicate the potential of the proposed method.
Monomeric and Dimeric 9‐O Anthraquinone and Phenanthryl Derivatives of Cinchona Alkaloids as Chiral Solvating Agents for the NMR Enantiodiscrimination of Chiral Hemiesters
Authors: Uccello Barretta Gloria , Mandoli Alessandro , Balzano Federica , Aiello Federica , De Nicola Beatrice , Del Grande Alessandro 
Published: August 2015

AbstractMono‐ and bis‐alkaloid chiral auxiliaries with anthraquinone or phenanthryl cores were probed as chiral solvating agents (CSAs) for the enantiodiscrimination of chiral cyclic hemiesters. The dimeric anthraquinone derivative and the monomeric phenanthryl one showed remarkable efficiency in the nuclear magnetic resonance (NMR) differentiation of enantiomeric mixtures of hemiesters. An anthraquinone analogous with a single alkaloid unit was remarkably less effective. The conformational prevalence of the chiral auxiliaries were ascertained by NMR. Chirality 27:693–699, 2015. © 2015 Wiley Periodicals, Inc.
Impact of fecal immunochemical test‐based screening programs on proximal and distal colorectal cancer surgery rates: A natural multiple‐baseline experiment
Authors: Fedeli Ugo , Zorzi Manuel , Urso Emanuele D.L. , Gennaro Nicola , Dei Tos Angelo P. , Saugo Mario 
Published: August 2015

BACKGROUNDColorectal cancer (CRC) screening programs based on the fecal immunochemical test (FIT) were found to reduce overall CRC surgery rates, but to the authors’ knowledge data by subsite are lacking. The objective of the current study was to assess the impact of FIT‐based screening on proximal and distal CRC surgical resection rates.METHODSThe Veneto region in Italy can be subdivided into 3 areas with staggered introduction of FIT‐based screening programs: early (2002‐2004), intermediate (2005‐2007), and late (2008‐2009) areas. Time series of proximal and distal CRC surgery were investigated in the 3 populations between 2001 and 2012 by Joinpoint regression analysis and segmented Poisson regression models.RESULTSThe impact of screening was similar in the study populations. Rates of distal CRC surgical resection were stable before screening, increased at the time of screening implementation (rate ratio [RR], 1.25; 95% confidence interval [95% CI], 1.14‐1.37), and thereafter declined by 10% annually (RR, 0.90; 95% CI, 0.88‐0.92). Rates of proximal CRC surgical resection increased by 4% annually before screening (RR, 1.04; 95% CI, 1.03‐1.05) but, after a peak at the time of screening initiation, the trend was reversed. The percentage represented by proximal CRC surgery rose from 28% in 2001 to 41% in 2012.CONCLUSIONSIn this natural multiple‐baseline experiment, consistent findings across each time series demonstrated that FIT‐based screening programs have an impact both on proximal and distal CRC surgery rates. However, underlying preexisting epidemiological trends are leading to a rapidly increasing percentage of proximal CRC. Cancer 2015;121:3982–3989. © 2015 American Cancer Society.
Hierarchical Fe3O4 Core–Shell Layered Double Hydroxide Composites as Magnetic Adsorbents for Anionic Dye Removal from Wastewater
Authors: Yan Qianjiang , Zhang Zhang , Zhang Yili , Umar Ahmad , Guo Zhanhu , O'Hare Dermot , Wang Qiang 
Published: August 2015

AbstractHierarchical core–shell Fe3O4@Mg3Al–CO3 layered double hydroxide (LDH) as an efficient magnetic adsorbent was prepared and investigated for the adsorption of anionic dye under ambient conditions. The material was thoroughly characterized by a variety of spectroscopic methods, which indicate that it was composed of spherical Fe3O4 (ca. 330 nm) core with a vertically aligned Mg3Al‐CO3 layered double hydroxide shell coating. Calcination of Fe3O4@Mg3Al–CO3 LDH at 400 °C gives a layered double oxide coated Fe3O4 nanoparticles (Fe3O4@Mg3Al–CO3 CLDH), which is shown to be an efficient magnetic adsorbent for removal of the anionic dye, C.I. Acid Yellow 219 (AY219) from aqueous solution under ambient conditions. The adsorption of AY219 from aqueous solution utilizes the “memory effect” of LDHs by which the calcined LDH can be reconstructed by intercalation of AY219 in water. During the multi‐cycling tests, a stable adsorption capacity of 1024 mg/g was achieved after 3 cycles, which is the highest value among all reported magnetic dye adsorbents. We also demonstrate that the core‐shell structure played a great role for the superior performance of Fe3O4@Mg3Al–CO3 CLDH, as its performance was much better than a control hybrid mixed phase Fe3O4/Mg3Al–CO3 LDH. This research suggests that Fe3O4@Mg3Al–CO3 LDH adsorbent is a promising candidate for the treatment of wastewater contaminated by anionic dyes.
Social representation and social identity in the black sheep effect
Authors: Zouhri Bouchra , Rateau Patrick 
Published: August 2015

AbstractThis study tests a new integration of central core theory with subjective group dynamics theory. Specifically, we hypothesized that the type of opinions shared within a group (central vs. peripheral; i.e. central core theory) can moderate the typical processes of the black sheep effect (i.e. subjective group dynamics theory). Our study focused on students expressing opinions with regard to their social representation ofstudying. We predicted that an in‐group member expressing an opinion against central opinions of the group (but not against peripheral ones) would be judged more negatively than an out‐group member expressing the same opinion. In line with central core theory, the results showed that central opinions, but not peripheral opinions, lead to the typical processes of the black sheep effect. Our findings show that the central elements of a social representation are key to defining the social identity of a group. Future research should thus focus on understanding the socio‐representational nature of cognitions involved in intra‐group and inter‐group relations.
Improving soil moisture accounting and streamflow prediction in SWAT by incorporating a modified time‐dependent Curve Number method
Authors: Rajib Mohammad Adnan , Merwade Venkatesh 
Published: August 2015

AbstractThe objective of this study is to incorporate a time‐dependent Soil Moisture Accounting (SMA) based Curve Number method (SMA_CN) in Soil and Water Assessment Tool (SWAT) and compare its performance with the existing CN method in SWAT by simulating the hydrology of two agricultural watersheds in Indiana, USA. Results show that fusion of the SMA_CN method causes decrease in runoff volume and increase in profile soil moisture content, associated with larger groundwater contribution to the streamflow. In addition, the higher amount of moisture in the soil profile slightly elevates the actual evapotranspiration. The SMA‐based SWAT configuration consistently produces improved goodness‐of‐fit scores and less uncertain outputs with respect to streamflow during both calibration and validation. The SMA_CN method exhibits a better match with the observed data for all flow regimes, thereby addressing issues related to peak and low flow predictions by SWAT in many past studies. Comparison of the calibrated model outputs with field‐scale soil moisture observations reveals that the SMA overhauling enables SWAT to represent soil moisture condition more accurately, with better response to the incident rainfall dynamics. While the results from the modification of the CN method in SWAT are promising, more studies including watersheds with various physical and climatic settings are needed to validate the proposed approach. Copyright © 2015 John Wiley & Sons, Ltd.
Probe current determination in analytical TEM/STEM and its application to the characterization of large area EDS detectors
Authors: Mitchell David R.G. , Nancarrow Mitchell J.B. 
Published: August 2015

ABSTRACTA simple procedure, which enables accurate measurement of transmission electron microscopy (TEM)/STEM probe currents using an energy loss spectrometer drift tube is described. The currents obtained are compared with those measured on the fluorescent screen to enable the losses due to secondary and backscattered electrons to be determined. The current values obtained from the drift tube allow the correction of fluorescent screen current densities to yield true current. They also enable CCD conversion efficiencies to be obtained, which in turn allows images to be calibrated in terms of electron fluence. Using probes of known current in conjunction with a NiO reference specimen enables the X‐ray detector solid angle to be determined. The NiO specimen also allows a wide range of other EDS detector parameters to be obtained, including the presence of ice and carbon contamination. A range of performance characteristics are reported for two large area EDS detector systems. Many of the measurements reported herein have been automated via the use of freely available scripts for DigitalMicrograph. Microsc. Res. Tech. 78:886–893, 2015. © 2015 Wiley Periodicals, Inc.
Hip range‐of‐motion (ROM) is less than normal after rotational acetabular osteotomy for developmental dysplasia of the hip: A simulated ROM analysis
Authors: Hamada Hidetoshi , Takao Masaki , Nakahara Ichiro , Sakai Takashi , Nishii Takashi , Sugano Nobuhiko 
Published: August 2015

ABSTRACTThe optimal reorientation of the acetabulum for developmental dysplasia of the hip (DDH) is unknown in terms of hip range‐of‐motion (ROM). The simulated ROMs of 52 DDHs after rotational acetabular osteotomy (RAO) with several patterns of femoral head coverage and those of 73 normal hips were analyzed using computer models reconstructed from CT images. After RAO with a lateral center edge angle (LCEA) of 30° and an anterior center edge angle (ACEA) of 55° producing coverage similar to that of normal hips, the maximal flexion and maximal internal rotation at 110° flexion with 20° adduction were significantly smaller than those of the normal group. To achieve ROMs after RAO similar to those of the normal group, an LCEA of 30° with an ACEA of 45°, an LCEA of 25° with an ACEA of 45° to 50°, and an LCEA of 20° with an ACEA of 50° could be preferred angles to target, even though they provided smaller coverage than that of normal hips. After RAO producing femoral head coverage similar to that of normal hips, the maximal flexion and the maximal internal rotation at 110° flexion with 20° adduction were significantly smaller than those of the normal group. © 2015 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 34:217–223, 2016.
Long‐Term Controlled Protein Release from Poly(Ethylene Glycol) Hydrogels by Modulating Mesh Size and Degradation
Authors: Tong Xinming , Lee Soah , Bararpour Layla , Yang Fan 
Published: August 2015

AbstractPoly(ethylene glycol) (PEG)‐based hydrogels are popular biomaterials for protein delivery to guide desirable cellular fates and tissue repair. However, long‐term protein release from PEG‐based hydrogels remains challenging. Here, we report a PEG‐based hydrogel platform for long term protein release, which allows efficient loading of proteins via physical entrapment. Tuning hydrogel degradation led to increase in hydrogel mesh size and gradual release of protein over 60 days of with retained bioactivity. Importantly, this platform does not require the chemical modification of loaded proteins, and may serve as a versatile tool for long‐term delivery of a wide range of proteins for drug‐delivery and tissue‐engineering applications.
Social Sharing of Online Videos: Examining American Consumers’ Video Sharing Attitudes, Intent, and Behavior
Authors: Yang Hongwei Chris , Wang Yingqi 
Published: August 2015

ABSTRACTThe present study integrated the theory of planned behavior, technology acceptance model, and Palka et al.'s (2009) viral marketing model to examine U.S. consumers’ online video sharing attitudes, intent, and behavior. Two online surveys of 318 U.S. college students and 370 U.S. general consumers were conducted consecutively in April 2012 and May 2012 to strengthen the study's reliability and validity. Results show that perceived pleasure and cost served as important predictors of online video sharing attitudes among college students and general consumers. Their intent to share online videos was predicted by perceived pleasure and normative influences, attitudes, and social media use. The number of online videos they shared was determined by online video consumption, intenteh, normative influences, and social media use. Sharing of online videos is different from sharing other online content in that perceived utilities and behavioral control do not really matter. The findings carry important implications for academic researchers, online marketers, and video publishers.
Consuming Alone: Broadening Putnam's “Bowling Alone” Thesis
Authors: Rauch Andreas , Deker Johannes S. , Woodside Arch G. 
Published: August 2015

ABSTRACTDespite the popularity of Wi‐Fi technologies and social networks, many residents in developed nations are more socially isolated now than a few decades ago. Applying fuzzy‐set qualitative comparative analysis, using a nationally representative sample in one developed nation this study investigates the relationship between social isolation and advice‐giving and advice‐seeking behaviors with regard to brands or products. This study raises the proposition that people who are socially isolated lack the opportunity to give and seek advice, and, thus, abstain from doing so. Additionally, the study proposes that lacking ability or motivation also represent causal conditions for isolation. The study also investigates consumer behavior outcomes of low advice‐giving and advice‐seeking behaviors; that is, pampering and status buying. The findings from an analysis of an omnibus annual survey of residents in one nation support the propositions that the study proposes from theory and are likely relevant for residents of most developed nations.
Structural and elastic properties of ternary silicides ScTSi (T═Co, Ni, Cu, Ru, Rh, Pd, Ir, Pt) and of the equiatomic intermetallic compounds YTX (T═Ni, Ir and X═Si, Ge, Sn, Pb)
Authors: Sebehi N. , Bouamama Kh. , Djemia Ph. , Kassali K. 
Published: August 2015

The structural and elastic properties of the ternary silicides ScTSi (T═Co, Ni, Cu, Ru, Rh, Pd, Ir, Pt) and of the equiatomic intermetallic YTX (T═Ni, Ir; X═Si, Ge, Sn, Pb) are studied using the density‐functional theory considering the orthorhombic TiNiSi crystal structure with space group Pnma. From the calculated formation energy, we obtained the following stability order of: ScCuSi < ScCoSi < ScRuSi < ScNiSi < ScPdSi < ScRhSi < ScIrSi < ScPtSi and YNiPb < YNiSn < YNiGe < YNiSi < YIrSn < YIrGe < YIrPb < YIrSi. The lattice parameters and atomic positions are in good agreement with experiments to ∼1%. All the alloys are mechanically stable using the Born elastic stability criteria. Ductile behavior inferred from the Pugh ratio, shear over bulk modulus G/B, and the Cauchy pressure, could be observed only for ScTSi (TRu, Pd, Pt) and YNiSn compounds and moderately for YIrX (Si, Ge, and Sn) and YNiPb. On the contrary, ScTSi (TCo, Ni, Cu, Rh, Ir), YNiGe, and YNiSi compounds are covalent or exhibit G/B > 0.5, leading to a brittle behavior in accordance with the Poisson ratio value. The Zener anisotropy factor is different from 1, indicating that these compounds are elastically anisotropic materials. A strong correlation is found between G and the Young's modulus E, slightly above G ∼(3/8)E widely found for polycrystalline metals.Correlation trend between the Young's modulus E and the shear modulus G of intermetallic compounds.
Changes in the Surgical Management of Parastomal Hernias Over 15 Years: Results of 135 Cases
Authors: Köhler Gernot , Mayer Franz , Wundsam Helwig , Schrittwieser Rudolf , Emmanuel Klaus , Lechner Michael 
Published: August 2015

AbstractBackgroundOver the years, various open and laparoscopic approaches toward the repair of parastomal hernias (PSH) have been described. The variety of published techniques itself can be seen as an indicator for the often low level of satisfaction reached with the surgical procedures.MethodsFrom January 1999 to January 2014, we assessed all cases of PSH repair performed at the three participating surgical departments in a retrospective analysis. The results were evaluated with regard to different surgical techniques focusing on complications and recurrences.ResultsOne hundred and thirty‐five individuals could be included in the analysis. They were operated on with eight different surgical techniques. Laparoscopic procedures were carried out in 46.7 % (63/135) of the cases. Median follow‐up was 54 months (12–146 months). We found 44 cases of recurrence (32.6 %) and 24 (17.8 %) of the patients experienced perioperative complications and 12 of them needed to return to theater. Fourteen of the 135 patients (10.4 %) were operated as emergency cases which were associated with a mortality of 28.6 % (4/14). In case of elective PSH repair, no mortality occured.ConclusionThe results achieved by direct suture or the use of incised flat meshes for the repair of PSH were poor with these procedures having unacceptably high recurrence rates. With regard to the latter ostomy revision through three‐dimensional funnel‐shaped meshes and the laparoscopic sandwich technique showed the best results. Emergency procedures were linked to a dramatic increase in morbidity and mortality (p < 0.001).
Model-based evaluation of ferrous iron oxidation by acidophilic bacteria in chemostat and biofilm airlift reactors
Authors: Ebrahimi Sirous , Faraghi Neda , Hosseini Maryam 
Published: August 2015

Abstract
This article presents a model-based evaluation of ferrous iron oxidation in chemostat and biofilm airlift reactors inoculated with a mixed culture of Acidithiobacillus ferrooxidans and Leptospirillum ferrooxidans bacteria. The competition between the two types of bacteria in the chemostat and in the biofilm airlift reactors together with the distribution of both bacteria along the biofilm thickness at different time sections has been studied. The bacterial distribution profiles along the biofilm in the airlift reactor at different time scales show that in the beginning A. ferrooxidans bacteria are dominant, but when the reactor operates for a long time the desirable L. ferrooxidans species outcompete A. ferrooxidans as a result of the low Fe2+ and high Fe3+ concentrations. The results obtained from the simulation were compared with the experimental data of continuously operated internal loop airlift biofilm reactor. The model results are in good agreement with the experimental results.
Burnout and its Effect on Neurocognitive Performance
Authors: McInerney Shane , Rowan Michael , Lawlor Brian 
Published: August 2015

AbstractObjectives: The hypothesis that burnout is predictive of performance deficits on a number of neuropsychological tests was examined among a group of psychiatric nurses. A possible relationship between burnout and state and trait anxiety levels was also investigated.Methods: A sample of psychiatric nurses (n=45) completed the Maslach Burnout Inventory (MBI) and the State-Trait Anxiety Inventory (STAI). Their performance on a number of neurocognitive tests from the Cambridge Neuropsychological Test Automated Battery (CANTAB) was examined. The neurocognitive tests measured visual memory, verbal memory and attention.Results: Multiple regression analyses were conducted between the burnout subscales and the results of the neuropsychological tests, and also between the burnout subscales and both state and trait anxiety levels. No overall significant relationship was found between neurocognitive performance and burnout. However, trait anxiety was significantly predictive of each of the burnout subscales of emotional exhaustion, depersonalisation and also of decreased personal accomplishment.Conclusions: The levels of burnout were in the moderate range for all three subscales and so the population was suffering from burnout. The fact that the trait anxiety variable was predictive of all three of the burnout subscales suggests that predisposition towards anxiety may be a vulnerability factor among people who suffer from burnout.
N2-fixation, ammonium release and N-transfer to the microbial and classical food web within a plankton community
Authors: Adam Birgit , Klawonn Isabell , Svedén Jennie B , Bergkvist Johanna , Nahar Nurun , Walve Jakob , Littmann Sten , Whitehouse Martin J , Lavik Gaute , Kuypers Marcel M M , Ploug Helle 
Published: August 2015

Abstract
We investigated the role of N2-fixation by the colony-forming cyanobacterium, Aphanizomenon spp., for the plankton community and N-budget of the N-limited Baltic Sea during summer by using stable isotope tracers combined with novel secondary ion mass spectrometry, conventional mass spectrometry and nutrient analysis. When incubated with 15N2, Aphanizomenon spp. showed a strong 15N-enrichment implying substantial 15N2-fixation. Intriguingly, Aphanizomenon did not assimilate tracers of 15NH4+ from the surrounding water. These findings are in line with model calculations that confirmed a negligible N-source by diffusion-limited NH4+ fluxes to Aphanizomenon colonies at low bulk concentrations (&lt;250 nm) as compared with N2-fixation within colonies. No N2-fixation was detected in autotrophic microorganisms &lt;5 μm, which relied on NH4+ uptake from the surrounding water. Aphanizomenon released about 50% of its newly fixed N2 as NH4+. However, NH4+ did not accumulate in the water but was transferred to heterotrophic and autotrophic microorganisms as well as to diatoms (Chaetoceros sp.) and copepods with a turnover time of ~5 h. We provide direct quantitative evidence that colony-forming Aphanizomenon releases about half of its recently fixed N2 as NH4+, which is transferred to the prokaryotic and eukaryotic plankton forming the basis of the food web in the plankton community. Transfer of newly fixed nitrogen to diatoms and copepods furthermore implies a fast export to shallow sediments via fast-sinking fecal pellets and aggregates. Hence, N2-fixing colony-forming cyanobacteria can have profound impact on ecosystem productivity and biogeochemical processes at shorter time scales (hours to days) than previously thought.