bluuebunny/crossref_metadata_2025_split huggingface dataset:
Functional connectivity with distinct neural networks tracks fluctuations in gain/loss framing susceptibility
Authors: Smith David V. , Sip Kamila E. , Delgado Mauricio R. 
Published: April 2015

AbstractMultiple large‐scale neural networks orchestrate a wide range of cognitive processes. For example, interoceptive processes related to self‐referential thinking have been linked to the default‐mode network (DMN); whereas exteroceptive processes related to cognitive control have been linked to the executive‐control network (ECN). Although the DMN and ECN have been postulated to exert opposing effects on cognition, it remains unclear how connectivity with these spatially overlapping networks contribute to fluctuations in behavior. While previous work has suggested the medial‐prefrontal cortex (MPFC) is involved in behavioral change following feedback, these observations could be linked to interoceptive processes tied to DMN or exteroceptive processes tied to ECN because MPFC is positioned in both networks. To address this problem, we employed independent component analysis combined with dual‐regression functional connectivity analysis. Participants made a series of financial decisions framed as monetary gains or losses. In some sessions, participants received feedback from a peer observing their choices; in other sessions, feedback was not provided. Following feedback, framing susceptibility—indexed as the increase in gambling behavior in loss frames compared to gain frames—was heightened in some participants and diminished in others. We examined whether these individual differences were linked to differences in connectivity by contrasting sessions containing feedback against those that did not contain feedback. We found two key results. As framing susceptibility increased, the MPFC increased connectivity with DMN; in contrast, temporal‐parietal junction decreased connectivity with the ECN. Our results highlight how functional connectivity patterns with distinct neural networks contribute to idiosyncratic behavioral changes. Hum Brain Mapp 36:2743–2755, 2015. © 2015 Wiley Periodicals, Inc.
Remarkable Differences in Amine Substitution Reactions of Trichloromethyl and Trifluoromethyl Difluorophosphines, CX3PF2(X = F, Cl): A Computational Study
Authors: Nixon John F. , Nyulászi László , Szieberth Dénes 
Published: April 2015

ABSTRACTDetailed computational studies have been carried out to explain the unexpected differing reactions that occur between dimethylamine and the difluorophosphines, CX3PF2(X = F, Cl). The reaction affords the thermodynamically controlled product chloroform in the case of X = Cl, whereas when X = F the analogous reaction pathway leading to fluoroform is hindered by a substantial reaction barrier in the gas phase, where the reaction should take place due to the volatility of the reactant. While the gas‐phase reaction energy gap is somewhat reduced when X = Cl, due to the stability of the migrating CCl3−moiety, the still substantial barrier does not account for the chloroform formation. Polarizable continuum model (PCM) calculations indicate a reduction of the barrier, facilitating the liquid‐phase reaction. The alternative gas‐phase reaction path, resulting in the aminolysis of a P—F bond is reversible and is shifted toward the product by capturing HF as the dimethylamino salt of the [CF3PF4H]−anion.
Hysteresis and scale in catchment storage, flow and transport
Authors: Davies Jessica A. C. , Beven Keith 
Published: April 2015

AbstractThe closure problem of representing hydrological boundary fluxes given the state of the system has been described as the scientific ‘Holy Grail’ of hydrology. This relationship between storage state and flux should be hysteretic and scale dependent because of the differences between velocities and celerities in a hydrological system—effectively velocities are storage controlled, and celerities are controlled by storage deficits. To improve our understanding of the nature of these relationships a new hydrology model is used (the Multiple Interacting Pathways or MIPs model) to explore the influence of catchment scale on storage–flow–transport relationships, and their non‐linearities. The MIPs model has been shown to produce acceptable simulations of both flow and tracer, i.e. of both celerities and velocities, at the Gårdsjön catchment in Sweden. In this study the model is used to simulate scaled versions of the Gårdsjön catchment to allow us for the first time to investigate the influence of scale on the non‐linearities in storage–flow–transport relationships, and help us steer the quest for the scientific hydrological ‘Holy Grail’. The simulations reveal the influence of scale on flow response in the nature of storage–discharge hysteresis and its links with antecedent storage; fractal‐like systematic change of mean output travel times with scale; the effect of scale on input, output and storage residence time distributions; hysteric relations between storage and output travel times and links between storage and water table level hysteresis. © 2015 The Authors. Hydrological Processes published by John Wiley & Sons Ltd.
Forecasting fish biomasses, densities, productions, and bioaccumulation potentials of mid-atlantic wadeable streams
Authors: Barber M Craig , Rashleigh Brenda , Cyterski Michael J 
Published: April 2015

Abstract
Regional fishery conditions of Mid-Atlantic wadeable streams in the eastern United States are estimated using the Bioaccumulation and Aquatic System Simulator (BASS) bioaccumulation and fish community model and data collected by the US Environmental Protection Agency's Environmental Monitoring and Assessment Program (EMAP). Average annual biomasses and population densities and annual productions are estimated for 352 randomly selected streams. Realized bioaccumulation factors (BAF) and biomagnification factors (BMF), which are dependent on these forecasted biomasses, population densities, and productions, are also estimated by assuming constant water exposures to methylmercury and tetra-, penta-, hexa-, and hepta-chlorinated biphenyls. Using observed biomasses, observed densities, and estimated annual productions of total fish from 3 regions assumed to support healthy fisheries as benchmarks (eastern Tennessee and Catskill Mountain trout streams and Ozark Mountains smallmouth bass streams), 58% of the region's wadeable streams are estimated to be in marginal or poor condition (i.e., not healthy). Using simulated BAFs and EMAP Hg fish concentrations, we also estimate that approximately 24% of the game fish and subsistence fishing species that are found in streams having detectable Hg concentrations would exceed an acceptable human consumption criterion of 0.185 μg/g wet wt. Importantly, such streams have been estimated to represent 78.2% to 84.4% of the Mid-Atlantic's wadeable stream lengths. Our results demonstrate how a dynamic simulation model can support regional assessment and trends analysis for fisheries. Integr Environ Assess Manag 2016;12:146–159. Published 2015 SETAC. This article is a US Government work and, as such, is in the public domain in the United States.
Key Points
Our work demonstrates how a simulation model can be integrated with field monitoring data to forecast average annual fish biomasses, population densities, annual productions, and patterns of bioaccumulation for methylmercury and other persistent bioaccumulative toxicants. Our work demonstrates that holistic multidimensional assessments of fishery resources can be performed as an integrated whole. We believe that this work represents a major integration not only of field monitoring and simulation modeling but also of the population, community, and ecotoxicological sciences that will be a significant contribution to both researchers and resource managers.
Dose‐dependent effect of 2‐deoxy‐D‐glucose on glycoprotein mannosylation in cancer cells
Authors: Ahadova Aysel , Gebert Johannes , von Knebel Doeberitz Magnus , Kopitz Juergen , Kloor Matthias 
Published: April 2015

AbstractHigh glucose consumption due to Warburg effect is one of the metabolic hallmarks of cancer. Consequently, glucose antimetabolites, such as 2‐deoxy‐glucose (2DG), can induce substantial growth inhibition of cancer cells. However, the inhibition of metabolic pathways is not the sole effect of 2DG on cancer cells. As mannose‐mimetic molecule, 2DG is believed to interfere with normal glycosylation of proteins in cells. Here, we address how 2DG influences protein glycosylation in cancer cells and discuss possible implications of the consequences of this influence. In detail, six colorectal cancer cell lines were examined for alterations of protein glycosylation by measuring monosaccharide incorporation into cellular glycoproteins and cell surface glycosylation by lectin FACS. A significant increase in mannose incorporation was observed on treatment with 2DG (1 mM for 48 h), which was also reflected by an increased binding of the mannose‐binding lectin Concanavalin A in FACS analysis. This phenomenon, which could be reversed by external addition of mannose, was not caused by 2DG‐mediated mannosidase inhibition, as shown by pulse‐chase experiments, arguing in favor of the hypothesis that 2DG directly influenced the incorporation of mannose. Increased mannose content was generally observed in cellular glycoproteins, including glycoproteins isolated from the plasma membrane fraction. Our results indicate that 2DG at low doses, which have only a limited metabolism‐related effect on glycosylation, induces a strong increase in mannose incorporation into cellular glycoproteins. On the other hand, higher 2DG concentrations (10 and 20 mM) led to a significant decrease of absolute mannose incorporation accompanied by a dramatically reduced protein synthesis rate. 2DG‐induced alterations of glycosylation may represent a novel mechanism potentially explaining the varied effects of 2DG on cancer cells. Moreover, 2DG treatment may open a path toward novel diagnostic and cancer therapeutic approaches, which specifically target altered glycoantigen structures induced by 2DG. © 2015 IUBMB Life, 67(3):218–226, 2015
Biomechanical and bioactivity concepts of polyetheretherketone composites for use in orthopedic implants—a review
Authors: Abdullah Mohamed Ruslan , Goharian Amirhossein , Abdul Kadir Mohammed Rafiq , Wahit Mat Uzir 
Published: April 2015

AbstractThe use of polyetheretherketone (PEEK) composites in the trauma plating system, total replacement implants, and tissue scaffolds has found great interest among researchers. In recent years (2008 afterward), this type of composites has been examined for suitability as substitute material over stainless steel, titanium alloys, ultra high molecular weight polyethylene, or even biodegradable materials in orthopedic implant applications. Biomechanical and bioactivity concepts were contemplated for the development of PEEK orthopedic implants and a few primary clinical studies reported the clinical outcomes of PEEK‐based orthopedic implants. This study aims to review and discuss the recent concepts and contribute further concepts in terms of biomechanical and bioactivity challenges for the development of PEEK and PEEK composites in orthopedic implants. © 2015 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 103A: 3689–3702, 2015.
Heat Stress Induces Extended Plateau of Hsp70 Accumulation – A Possible Cytoprotection Mechanism in Hepatic Cells
Authors: Miova Biljana , Dinevska‐Kjovkarovska Suzana , Esplugues Juan V. , Apostolova Nadezda 
Published: April 2015

ABSTRACTThe relevance of heat preconditioning resides in its ability to protect cells from different kinds of injury by induction of heat shock proteins, a process in which the intensity of heat stress (HS) and duration of subsequent recovery are vital. This study evaluates the effects of moderate HS (45 min/43°C) and the time‐dependent changes during recovery period of HSP70, Bcl‐2 and p53 gene and protein expression in HepG2 cells. We also evaluated the effects of 0.4 mM aspirin (ASA) as a potential pharmacological co‐inducer of HSP, both alone and in a combination with HS (ASA + HS). HS alone and ASA + HS caused a major up‐regulation of HSP70 mRNA in the first 2 h, while HSP70 protein increased gradually and was especially abundant from 2 h to 24 h. Regarding Bcl‐2, all treatments rendered similar results: gene expression was down‐regulated in the first 2 h, after which there was protein elevation (12–48 h after HS). mRNA expression of p53 in HS‐ and (ASA + HS)‐cells was down‐regulated in the first 12 h. The immediate decrease of p53 protein after HS was followed by a biphasic increase. In conclusion, 0.4 mM ASA + HS does not act as a co‐inducer of HSP70 in HepG2 cells, but promotes Bcl‐2 protein expression during prolonged treatment. Our suggestion is that hepatic cells are most vulnerable in the first 2–6 h, but may have a high capacity for combating stress 12–24 h after HS. Finally, short‐term exposure HS might be a “physiological conditioner” for liver cells to accumulate HSP and Bcl‐2 proteins and thus obtain cytoprotection against an additional stress. J. Cell. Biochem. 116: 2365–2374, 2015. © 2015 Wiley Periodicals, Inc.
A modified extended finite element method approach for design sensitivity analysis
Authors: Barthold F.‐J. , Materna D. 
Published: April 2015

SummaryThis paper describes a modified extended finite element method (XFEM) approach, which is designed to ease the challenge of an analytical design sensitivity analysis in the framework of structural optimisation. This novel formulation, furthermore labelled YFEM, combines the well‐known XFEM enhancement functions with a local sub‐meshing strategy using standard finite elements. It deviates slightly from the XFEM path only at one significant point but thus allows to use already derived residual vectors as well as stiffness and pseudo load matrices to assemble the desired information on cut elements without tedious and error‐prone re‐work of already performed derivations and implementations. The strategy is applied to sensitivity analysis of interface problems combining areas with different linear elastic material properties. Copyright © 2015 John Wiley & Sons, Ltd.
Entanglements in P3HT and their influence on thin‐film mechanical properties: Insights from molecular dynamics simulations
Authors: Tummala Naga Rajesh , Risko Chad , Bruner Christopher , Dauskardt Reinhold H. , Brédas Jean‐Luc 
Published: April 2015

ABSTRACTDue to their inherent mechanical flexibility and stretchability, organic‐based electronic devices have garnered a great deal of academic and industrial interest. Here, molecular‐dynamics simulations are used to examine the molecular‐scale details that govern the relationships among molecular weight, chain entanglement, persistence length, and the elastic characteristics of the widely studied π‐conjugated polymer poly‐(3‐hexyl thiophene), P3HT. Oligomers containing at least 50 monomer units are required in the simulations to observe elastic behavior in P3HT, while much longer chains are required to ensure description of appropriate levels of entanglement: only when the molecular weight is greater than 50 kDa, that is, oligomers with approximately 400 monomer units, is truly entangled behavior observed. Interestingly, results from primitive path analysis of amorphous P3HT matches well with the observed onsets of inter‐chain excitonic coherence with increased molecular weight. The simulations also indicate that the P3HT modulus saturates at 1.6 GPa for chain lengths of 50–100 monomers, a result that compares well with experimental results. This work highlights the care that needs to be taken to accurately model P3HT morphologies in relation to experimental measurements. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2015, 53, 934–942
Morphological and structural modifications of chemically‐prepared emeraldine polyaniline and zinc oxide in PAni‐ZnO composite
Authors: Vequizo Reynaldo M. , Bagsican Filchito Renee G. , Odarve Majvell Kay G. 
Published: April 2015

AbstractIn this paper, the characteristic changes on the surface morphology and structure of both emeraldine polyaniline (PAni) and ZnO films in the chemically‐prepared PAni‐ZnO composite are presented. The PAni‐ZnO composite on amorphous glass substrate was fabricated utilizing chemical bath deposition technique. The ZnO films were first synthesized using appropriate amounts of zinc sulphate and ammonium hydroxide. Emeraldine form polyaniline films were then grown on as‐prepared ZnO films using appropriate amounts of aniline hydrochloride and ammonium peroxydisulphate. The formation of zinc hydroxychloride hexagonal‐plate structures in the composite film resulted to morphological and structural modifications of PAni and ZnO composite films. The highly‐crystalline emeraldine polyaniline became amorphous when deposited as part of the composite while increased tensile strain was observed for ZnO in the composite due to stretching‐effect caused by zinc hydroxychloride along the outward‐planar direction. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Predicting the dynamics of social circles in ego networks using pattern analysis and GA K‐means clustering
Authors: Agarwal Vinti , Bharadwaj K. K. 
Published: April 2015

The tremendous amount of content generated on online social networks has led to a radical paradigm shift in the interest of people to group friends dynamically and share content selectively. At large, social networking sites (e.g. Google+, Facebook, Twitter, etc.) offer users with various controls over categorizing their family members, friends, colleagues, etc. into one or more ‘circles’ that they want to share content with. However, it is typically impossible to design social circles in large networks and update their number and size, whenever networks grow. Aiming at predicting the dynamics of formation and evolution of social circles, we performed several experiments on ground‐truth data, and found that studying patterns of network and profile features at individual level rather than studying circle as a whole can greatly enhance the understanding of social circles development in online social networks. In this review, we first present a comprehensive study of the structural behavior of circles, and then build an observation that within every circle there exist some key elements, termed as ‘Node of Creations (NoCs)’, which play an important role in the development, survival, and evolvability of circle structures. We, therefore, propose a Genetic Algorithm–based framework to determine these key elements (NoCs) and differentiate Ego networks into non‐overlapping, hierarchically nested as well as overlapping circles by leveraging knowledge from the identified patterns in order to assist K‐means clustering. We have performed our experiments using Facebook and Twitter datasets and the experimental results clearly demonstrate the effectiveness of our scheme. WIREs Data Mining Knowl Discov 2015, 5:113–141. doi: 10.1002/widm.1150This article is categorized under:

Technologies > Machine Learning
Technologies > Prediction
Technologies > Structure Discovery and Clustering
Protein–quantum dot nanohybrids for bioanalytical applications
Authors: Lee Jeong Yu , Kim Jee Seon , Park Jae Chul , Nam Yoon Sung 
Published: April 2015

Quantum dots (QDs) coupled with biomolecules play an important role as optically and chemically stable bioimaging agents for various applications. These inorganic–biological hybrid conjugates have been demonstrated as powerful fluorescence tools for sensing, diagnostics, and labeling. This review focuses on protein–QD nanohybrids for different types of bioanalytical applications. There are various strategies to modify the surface properties of QDs to produce protein–QD nanohybrids that are stable in biological fluids. We expect that multifunctional protein–QD nanohybrids can be used as a powerful optical probe for various biological applications. WIREs Nanomed Nanobiotechnol 2016, 8:178–190. doi: 10.1002/wnan.1345This article is categorized under:

Diagnostic Tools > Biosensing
Diagnostic Tools > Diagnostic Nanodevices
Diagnostic Tools > In Vitro Nanoparticle-Based Sensing
Smoothed Particle Hydrodynamics – partikelbasierte Strömungsberechnung zur Anwendung in der Siedlungswasserwirtschaft
Authors: Meister Michael , Fleischhacker Nikolaus , Rauch Wolfgang 
Published: April 2015

Zusammenfassung
Zahlreiche Strömungsprobleme in der Siedlungswasserwirtschaft können mittels vereinfachter Methoden berechnet werden. Zum Beispiel werden Reaktoren meist als voll durchmischt angenommen und Gerinneströmungen durch ein eindimensionales Modell approximiert. Beeinflusst aber die Strömung die Funktion der Infrastruktur, ist es notwendig, komplexere numerische Berechnungen mit Computational-Fluid-Dynamics-Methoden durchzuführen. Beispiele dafür sind die Modellierung von Absetzbecken, Faulbehältern und komplexen Mischwasserbehandlungsanlagen. Numerische Strömungsberechnungen in der Siedlungswasserwirtschaft verwenden bislang gitterbasierte Computational-Fluid-Dynamics-Methoden. In diesem Artikel wird anhand von Beispielen die Anwendungsmöglichkeit einer alternativen partikelbasierten Methode, nämlich von Smoothed Particle Hydrodynamics, diskutiert.
Pilot studies on scale-up biocatalysis of 7-β-xylosyl-10-deacetyltaxol and its analogues by an engineered yeast
Authors: Liu Wan-Cang , Zhu Ping 
Published: April 2015

AbstractPaclitaxel content in yew tree is extremely low, causing a worldwide shortage of this important anticancer drug. Yew tree can also produce abundant 7-β-xylosyl-10-deacetyltaxol that can be bio-converted into 10-deacetyltaxol for semi-synthesis of paclitaxel. However, the bio-conversion by the screened natural microorganisms was inefficient. We have constructed the recombinant yeast with a glycoside hydrolase gene from Lentinula edodes and explored the bioconversion. Based on previously established reaction conditions, the bioconversion of 7-β-xylosyl-10-deacetyltaxol or its extract was further optimized and scaled up with the engineered yeast harvested from 200-L scale high-cell-density fermentation. The optimization included the freeze-dried cell amount, dimethyl sulfoxide concentration, addition of 0.5 % antifoam supplement, and substrate concentration. A 93–95 % bioconversion and 83 % bioconversion of 10 and 15 g/L 7-β-xylosyltaxanes in 10 L reaction volume were achieved, respectively. The yield of 10-deacetyltaxol reached 10.58 g/L in 1 L volume with 15 g/L 7-β-xylosyl-10-deacetyltaxol. The conversion efficiencies were not only much higher than those of other reports and our previous work, but also realized in 10 L reaction volume. A pilot-scale product purification was also established. Our study bridges the gap between the basic research and commercial utilization of 7-β-xylosyl-10-deacetyltaxol for the industrial production of semi-synthetic paclitaxel.