bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Selective Biligand Inhibitor of CK2 Increases Caspase‐3 Activity in Cancer Cells and Inhibits Platelet Aggregation
Authors: Rahnel Hedi , Viht Kaido , Lavogina Darja , Mazina Olga , Haljasorg Tõiv , Enkvist Erki , Uri Asko 
Published: August 2017

AbstractCancer cells express high levels of CK2, and its inhibition leads to apoptosis. CK2 has therefore emerged as a new drug target for cancer therapy. A biligand inhibitor ARC‐772 was constructed by conjugating 4‐(2‐amino‐1,3‐thiazol‐5‐yl)benzoic acid and a carboxylate‐rich peptoid. ARC‐772 was found to bind CK2 with a Kd value of 0.3 nm and showed remarkable CK2 inhibitory selectivity in a panel of 140 protein kinases (Gini coefficient: 0.75 at c=100 nm). ARC‐775, the acetoxymethyl ester prodrug of ARC‐772, was efficiently taken up by cells. Once internalized, the inhibitor is activated by cellular esterase activity. In HeLa cancer cells ARC‐775 was found to activate caspase‐3 (an apoptosis marker) at sub‐micromolar concentrations (EC50=0.3 μm), a 20‐fold lower extracellular concentration than CX‐4945, the only CK2 inhibitor under clinical trials. At micromolar concentrations, ARC‐775 was also found to inhibit ADP‐induced aggregation of human platelets. The overall results of this study demonstrate that oligo‐anionic biligand inhibitors have good potential for drug development.
Parallel computations of local PageRank problem based on Graphics Processing Unit
Authors: Lai Siyan , Shao Bo , Xu Ying , Lin Xiaola 
Published: August 2017

SummaryIn this paper, we study the issue of improving the performance of Markov chain Monte Carlo method to solve local PageRank problem under General Purpose Graphics Processing Unit environment. As a large number of dangling vertices cause large storage space of dangling vertices and thus slow down the Markov chain procession, we propose a reordering strategy to compress the storage space and reduce the computational complexity of Markov chain procession. In our performance study, by parallelizing and optimizing the proposed algorithm based on GPU, the reordering strategy can be up 12× faster compared with basic method, where the graphs have high‐proportion dangling vertices. According to our investigation on this issue, the variance of random walks determines the number of random walks in the computation; we thus introduce low‐discrepancy sequences to enhance the performance. Moreover, the low‐discrepancy sequences are organized to load in the on‐chip shared memory to accelerate fetching with a wise warp scheduling for bank conflict schema. A series of experiments have been conducted to evaluate the optimization efficiency. Compared with fetching data from off‐chip global memory, the shared‐memory‐based strategy can have over 10× speedup ratio performance. The experiments indicate that the size of shared memory has a significant impact on the parallelism of the proposed method as well.
Novel efficient particle swarm optimization algorithms for solving QoS‐demanded bag‐of‐tasks scheduling problems with profit maximization on hybrid clouds
Authors: Zhang Yi , Sun Jin 
Published: August 2017

SummaryUsers are willing to execute bag‐of‐task applications consisting of multiple tasks on clouds, since cloud resources are delivered in a pay‐as‐you‐go manner. Given multiple bag‐of‐task applications to be executed with user‐specified quality‐of‐service demands, a cloud provider has to outsource some tasks to public clouds when its private cloud has insufficient resources to afford all applications' tasks. The key issue is how to schedule tasks on hybrid clouds (environments consisting of a private cloud and multiple public clouds) for maximizing the cloud provider's profit while meeting the quality‐of‐service demands. To solve this problem, we propose an efficient particle swarm optimization algorithm (EPSO) and three hybrid ones (HEPSO1‐HEPSO3), in which task sequences are considered as solutions. A mapping operator (BBMO) is developed to map particles to solutions and a quick task dispatching method containing an acceleration method is designed to calculate solutions' objectives. Experimental results show that EPSO not only outperforms an existing PSO (the best algorithm for solving a problem that is a special case of ours) significantly but also achieves a 11.48x speedup. The HEPSO1 to HEPSO3 outperform EPSO. The BBMO outperforms the well‐known ranked‐order value rule and achieves a 5.47x speedup. The acceleration method in quick task dispatching brings a 2.69x speedup.
Organometallic Synthesis of CuO Nanoparticles: Application in Low‐Temperature CO Detection
Authors: Jońca Justyna , Ryzhikov Andrey , Palussière Ségolène , Esvan Jérome , Fajerwerg Katia , Menini Philippe , Kahn Myrtil L. , Fau Pierre 
Published: August 2017

AbstractA metal–organic approach has been employed for the preparation of anisotropic CuO nanoparticles. These nanostructures have been characterized by transmission and high resolution transmission electron microscopy, field‐emission scanning electron microscopy, X‐ray powder diffraction, Fourier transform infrared spectroscopy and X‐ray photoelectron spectroscopy. The CuO nanoparticles have been deposited as gas‐sensitive layers on miniaturized silicon devices. At an operating temperature of 210 °C, the sensors present an optimum response toward carbon monoxide correlated with a fast response (Rn) and short recovery time. A high sensitivity to CO (Rn≈150 %, 100 ppm CO, RH 50 %) is achieved. These CuO nanoparticles serve as a very promising sensing layer for the fabrication of selective CO gas sensors working at a low temperature.
Role of the Chalcogen (S, Se, Te) in the Oxidation Mechanism of the Glutathione Peroxidase Active Site
Authors: Bortoli Marco , Torsello Mauro , Bickelhaupt F. Matthias , Orian Laura 
Published: August 2017

AbstractThe oxidation by H2O2 of the human phospholipid hydroperoxide glutathione peroxidase (GPx4), used as a model peroxidase selenoenzyme, as well as that of its cysteine (Cys) and tellurocysteine (Tec) mutants, was investigated in silico through a combined classic and quantum mechanics approach to assess the role of the different chalcogens. To perform this analysis, new parameters for selenocysteine (Sec) and tellurocysteine (Tec) were accurately derived for the AMBER ff14SB force field. The oxidation represents the initial step of the antioxidant activity of GPx, which catalyzes the reduction of H2O2 and organic hydroperoxides by glutathione (GSH). A mechanism involving a charge‐separation intermediate is feasible for the Cys and Sec enzymes, leading from the initial thiol/selenol form to sulfenic/selenenic acid, whereas for the Tec mutant a direct oxidation pathway is proposed. Activation strain analyses, performed for Cys‐GPx and Sec‐GPx, provided insight into the rate‐accelerating effect of selenium as compared to sulfur and the role of specific amino acids other than Cys/Sec that are typically conserved in the catalytic pocket.
Doping Phosphorene with Holes and Electrons through Molecular Charge Transfer
Authors: Vishnoi Pratap , Rajesh S. , Manjunatha S. , Bandyopadhyay Arkamita , Barua Manaswee , Pati Swapan K. , Rao C. N. R. 
Published: August 2017

AbstractAn important aspect of phosphorene, the novel two‐dimensional semiconductor, is whether holes and electrons can both be doped in this material. Some reports found that only electrons can be preferentially doped into phosphorene. There are some theoretical calculations showing charge‐transfer interaction with both tetrathiafulvalene (TTF) and tetracyanoethylene (TCNE). We have carried out an investigation of chemical doping of phosphorene by a variety of electron donor and acceptor molecules, employing both experiment and theory, Raman scattering being a crucial aspect of the study. We find that both electron acceptors and donors interact with phosphorene by charge‐transfer, with the acceptors having more marked effects. All the three Raman bands of phosphorene soften and exhibit band broadening on interaction with both donor and acceptor molecules. First‐principles calculations establish the occurrence of charge‐transfer between phosphorene with donors as well as acceptors. The absence of electron‐hole asymmetry is noteworthy.
Influence of material spatial variability on required safety factors for masonry walls in compression
Authors: Müller Dominik , Förster Valentin , Graubner Carl‐Alexander 
Published: August 2017

AbstractSince masonry is one of the oldest and most traditional construction types, corresponding safety concepts are usually based on experience instead of being calibrated by structural reliability methods. For this reason, reliability analyses of masonry structures are needed to check if safety factors should be adjusted. Masonry is a non‐homogenous material. Because of that, it is very important to consider the spatial variability of material properties when assessing the reliability of masonry walls. Therefore, it is useful to know if and to what extent spatial variability increases or decreases the reliability of masonry walls and the required safety factors. The influence of spatial variability depends on the length of a wall due to the capability of load redistribution. Also, it is affected by the governing failure mode, which depends on the slenderness of the wall, and can be local compression or stability failure. This paper demonstrates the effect of spatial variability on the load‐bearing capacity of masonry walls in terms of mean value, scatter and design value. For this purpose, walls of varying length and slenderness were analysed with and without the consideration of spatial variability by performing Monte Carlo simulations. Based upon that, safety factors were determined which are required to meet the target reliability defined by EN 1990.
Insights on the role of hox genes in the emergence of the pentadactyl ground state
Authors: Kherdjemil Yacine , Kmita Marie 
Published: August 2017

AbstractTetrapods are characterized by the presence of digits at the distal end of their limbs, which have emerged during the transition from fins to limbs. While variations in digit number are observed in extant tetrapods, most have five digits per limb and divergence from this pentadactyl ground state is always a reduction in digit number. Paleontological data revealed that stem‐group tetrapods were polydactylous indicating that the evolution from fish fin to modern tetrapod limbs involved two major transitions; the emergence of digits and the shift from polydactyly to pentadactyly. The absence of living polydactyl tetrapod species is a major limitation in assessing the foundation of the pentadactyl constraint. Nonetheless, several genes having the capacity of modulating digit number have been identified and studying their functional and regulatory phylogeny will likely be critical in our comprehension of the emergence of the pentadactyl state. In this review, we provide an overview of the data obtained from mouse genetics that uncovered the role of Hox genes in controlling digit number and discuss regulatory changes that could have been implicated in the emergence of the pentadactyl ground state.
Behavior and season affect crayfish detection and density inference using environmental DNA
Authors: Dunn Nicholas , Priestley Victoria , Herraiz Alba , Arnold Richard , Savolainen Vincent 
Published: August 2017

AbstractAlthough the presence/absence of aquatic invertebrates using environmental DNA (eDNA) has been established for several species, inferring population densities has remained problematic. The invasive American signal crayfish, Pacifastacus leniusculus (Dana), is the leading cause of decline in the UK's only native crayfish species, Austropotamobius pallipes (Lereboullet). Methods to detect species at low abundances offer the opportunity for the early detection, and potential eradication, of P. leniusculus before population densities reach threatening levels in areas occupied by A. pallipes. Using a factorial experimental design with aquaria, we investigated the impacts of biomass, sex ratio, and fighting behavior on the amount of eDNA released by P. leniusculus, with the aim to infer density per aquarium depending on treatments. The amount of target eDNA in water samples from each aquarium was measured using the quantitative Polymerase Chain Reaction. We show that the presence of eggs significantly increases the concentration of crayfish eDNA per unit of mass, and that there is a significant relationship between eDNA concentration and biomass when females are egg‐bearing. However, the relationship between crayfish biomass and eDNA concentration is lost in aquaria without ovigerous females. Female‐specific tanks had significantly higher eDNA concentrations than male‐specific tanks, and the prevention of fighting did not impact the amount of eDNA in the water. These results indicate that detection and estimate of crayfish abundance using eDNA may be more effective while females are ovigerous. This information should guide further research for an accurate estimation of crayfish biomass in the field depending on the season. Our results indicate that detection and quantification of egg‐laying aquatic invertebrate species using eDNA could be most successful during periods when eggs are developing in the water. We recommend that practitioners consider the reproductive cycle of target species when attempting to study or detect aquatic species using eDNA in the field.
Ablation of the Cβ2 subunit of PKA in immune cells leads to increased susceptibility to systemic inflammation in mice
Authors: Moen Line Victoria , Sener Zeynep , Volchenkov Roman , Svarstad Anja Camilla , Eriksen Aud Marit , Holen Halvor L. , Skålhegg Bjørn S. 
Published: August 2017

AbstractProtein kinase A (PKA) is a holoenzyme composed of a regulatory subunit dimer and two catalytic subunits and regulates numerous cellular functions including immune cell activity. There are two major catalytic subunit genes, PRKACA and PRKACB encoding the catalytic subunits Cα and Cβ. The PRKACB gene encodes several splice variants including Cβ2, which is enriched in T‐, B‐ and natural killer cells. Cβ2 is significantly larger (46 kDa) than any other C splice variant. In this study we characterized mice ablated for the Cβ2 protein demonstrating a significantly reduced cAMP‐induced catalytic activity of PKA in the spleenocytes, lymphocytes and thymocytes. We also observed a significantly increased number of CD62L‐expressing CD4+ and CD8+ T cells in LNs, accompanied by increased susceptibility to systemic inflammation by the Cβ2 ablated mice. The latter was reflected in an elevated sensitivity to collagen‐induced arthritis (CIA), as well as higher concentration of TNF‐α and lower concentration of IL‐10 in response to LPS challenges. We suggest a role of Cβ2 in regulating innate as well as adaptive immune sensitivity in vivo.
Recent developments in capillary and microchip electroseparations of peptides (2015–mid 2017)
Authors: Kašička Václav 
Published: August 2017

AbstractThe review brings a comprehensive overview of recent developments and applications of high performance capillary and microchip electroseparation methods (zone electrophoresis, isotachophoresis, isoelectric focusing, affinity electrophoresis, electrokinetic chromatography, and electrochromatography) to analysis, microscale isolation, purification, and physicochemical and biochemical characterization of peptides in the years 2015, 2016, and ca. up to the middle of 2017. Advances in the investigation of electromigration properties of peptides and in the methodology of their analysis (sample preseparation, preconcentration and derivatization, adsorption suppression and EOF control, and detection) are described. New developments in particular CE and CEC methods are presented and several types of their applications to peptide analysis are reported: qualitative and quantitative analysis, determination in complex (bio)matrices, monitoring of chemical and enzymatical reactions and physical changes, amino acid, sequence and chiral analysis, and peptide mapping of proteins. Some micropreparative peptide separations are shown and capabilities of CE and CEC methods to provide important physicochemical characteristics of peptides are demonstrated.
Characterization of pork bone soup odor active compounds from traditional clay and commercial electrical stewpots by sensory evaluation, gas chromatography–mass spectrometry/olfactometry and partial least squares regression
Authors: Zhang Man , Karangwa Eric , Duhoranimana Emmanuel , Zhang Xiaoming , Xia Shuqin , Yu Jingyang , Xu Man 
Published: August 2017

AbstractThe effect of heating parameters on pork bone soup flavor generation in electrical stewpot was investigated. Four sensory attributes including meaty, fatty, kokumi and off‐flavor were used to evaluate the sensory characteristics of different pork bone soups. Twenty‐nine odor active compounds were identified by direct‐time intensity method of gas chromatography–mass spectrometry/olfactometry (GC–MS/O). Only eleven of them were detected in both traditional clay and commercial electrical stewpots. One of the electrical stewpot samples showed good sensory characteristics compared with other samples and its corresponding heating parameters were as follows: heating rate of 2.419°C/min, constant temperature time of 20 min, low temperature of 80°C and its holding time of 50 min. Correlation analysis between sensory attributes and odor active compounds through Partial Least Squares Regression (PLSR) revealed that hexanal, octanal, 6‐methyl‐5‐hepten‐2‐one, 2‐nonanone, decanal, benzaldehyde, (E)‐2‐nonenal had significant correlation with the sensory attributes.
Chemoselective and diastereoselective synthesis of halogenated [1,3] oxazino [2,3‐a] isoquinoline derivatives
Authors: Asghari Sakineh , Khabbazi Habibi Ahmad 
Published: August 2017

AbstractChemoselective and diastereoselective synthesis of halogenated [1,3] oxazino [2,3‐a] isoquinolines, based on one‐pot three‐component reactions of isoquinoline and dimethyl acetylenedicarboxylate in the presence of α‐chloro and α‐bromo ketone derivatives in good to high yields, are reported.
Electromagnetic and thermal analysis of underground power solid‐conductor cables under harmonic and unbalancing currents based on FEM
Authors: Rasoulpoor M. , Mirzaie M. , Mirimani S.M. 
Published: August 2017

AbstractIn this paper, electromagnetic and thermal analyses are performed on underground power solid‐conductor cables under harmonic and unbalancing currents. The loss, life time, and produced magnetic field are calculated. Different balanced and unbalance load currents and also sinusoidal and harmonic profiles are considered. Moreover, the effects of different distances between cables are analyzed. Power cable losses and produced magnetic fields around power cables are computed based on electromagnetic analysis by using finite element method. Furthermore, finite element method thermal simulations are conducted to determine the cable life time based on Arrhenius model. Underground medium‐voltage cables with metallic sheaths in flat and trefoil formations are considered. Metallic sheaths are bonded together and grounded in the single point or both ends. So, the effects of eddy and circulating currents of sheaths on power cable parameters are studied. Simulation results show the important effects of unbalancing and harmonic currents on the power cables parameters. Also, the effects are dependent on the harmonic frequency orders, installation method, and grounding system types.
Variability of FinFET AC parameters: A physics‐based insight
Authors: Bughio Ahsin Murtaza , Donati Guerrieri Simona , Bonani Fabrizio , Ghione Giovanni 
Published: August 2017

AbstractThis paper presents a fully physics‐based variability analysis of single‐fin double‐gate Metal Oxide Semiconductor FET (MOSFET) AC parameters, without resorting to any approximated quasi‐static analysis based on the variations of the DC drain current or charge. Variations of the AC parameters have been investigated as a function of all the relevant geometrical and physical parameters, with emphasis on the ones affecting the device parasitics, especially important for high‐frequency analog applications. A numerically efficient Green's function technique is applied to reduce the simulation time to a few percent of the time required for standard Monte Carlo–based variability analysis. The Green's function approach especially allows for a deep insight into the so‐called local variability source, highlighting the regions of the device where physical variations most significantly affect the output AC performances and opening the way for possible structure optimization. Although presently implemented in a 2D in‐house software, the technique can be easily exported to standard 3D Technology Computer‐Aided Design (TCAD) tools, eg, for tri‐gate FinFET analysis.
Non‐invasive diagnosis and treatment strategies for traumatic brain injury: an update
Authors: Joseph Bellal , Khan Muhammad , Rhee Peter 
Published: August 2017

AbstractPurpose of reviewTraumatic Brain Injury (TBI) remains the leading cause of morbidity and mortality in U.S. Since the last decade, there have been several advances in the understanding and management of TBI that have shown the potential to improve outcomes. The aim of this review is to provide a useful overview of these potential diagnostic and treatment strategies that have yet to be proven, along with an assessment of their impact on outcomes after a TBI.Recent findingsRecent technical advances in the management of a TBI are grounded in a better understanding of the pathophysiology of primary and secondary insult to the brain after a TBI. Hence, clinical trials on humans should proceed in order to evaluate their efficacy and safety.SummaryMortality associated with TBI remains high. Nonetheless, new diagnostic and therapeutic techniques have the potential to enhance early detection and prevention of secondary brain insult.
Introducing the concept of “CSF‐shift edema” in traumatic brain injury
Authors: Cherian Iype , Beltran Margarita , Landi Alessandro , Alafaci Concetta , Torregrossa Fabio , Grasso Giovanni 
Published: August 2017

AbstractBrain edema after severe traumatic brain injury (TBI) plays an important role in the outcome and survival of injured patients. It is also one of the main targets in the therapeutic approach in the current clinical practice. To date, the pathophysiology of traumatic brain swelling is complex and, being that it is thought to be mainly cytotoxic and vasogenic in origin, not yet entirely understood. However, based on new understandings of the hydrodynamic aspects of cerebrospinal fluid (CSF), an additional mechanism of brain swelling can be considered. An increase in pressure into the subarachnoid space, secondary to traumatic subarachnoid hemorrhage, would result in a rapid shift of CSF from the cisterns, through the paravascular spaces, into the brain, resulting in an increase of brain water content. This mechanism of brain swelling would be termed as “CSF‐shift edema.”This “CSF‐shift,” promoted by a pressure gradient, leads to increased pressure inside the paravascular spaces and the interstitium of the brain, disturbing the functions of the paravascular system, with implications of secondary brain injury.Cisternostomy, an emerging surgical treatment, would reverse the direction of the CSF‐shift, allowing for a decrease in brain swelling. In addition, this technique would reduce the pressure in the paravascular spaces and interstitium, leading to a recovery of the functionality of the paravascular system.