bluuebunny/crossref_metadata_2025_split huggingface dataset:
Excellent Cycling Stability and Superior Rate Capability of Na3V2(PO4)3 Cathodes Enabled by Nitrogen‐Doped Carbon Interpenetration for Sodium‐Ion Batteries
Authors: Zhang Huang , Hasa Ivana , Qin Bingsheng , Diemant Thomas , Buchholz Daniel , Behm R. Jürgen , Passerini Stefano 
Published: February 2017

AbstractPolyanionic Na3V2(PO4)3 is considered as a promising cathode material for sodium‐ion batteries; however, it is limited by its poor electronic conductivity resulting in inferior rate capability and cycling stability. Herein, the rational design and synthesis of Na3V2(PO4)3 (NVP) particles embedded in various N‐doped carbon matrices, that is, nitrogen‐doped pyrolytic carbon (N−C), carbon nanotubes (N‐CNT), graphene nanosheets (N‐rGO), and Ketjen black nanospheres (N‐KB), are reported together with the structural investigation and electrochemical performance. It is evidenced that the N‐doped carbon coating efficiently improves the rate capability and cyclability with minor polarization of NVP materials as a result of enhanced electronic/ionic conductivities and facilitated charge transfer at the electrode−electrolyte interface. Particularly, the NVP nanograins dispersed in the N‐doped carbon nanotube matrix exhibit the best rate and cycling performance. When cycled at rates from 0.1 to 20 C, the discharge capacity decays only slightly from 114 to 100 mAh g−1, offering outstanding high power capacity retention (88 %). Moreover, the material retains excellent capacity (92 %) upon long‐term cycling (3000 cycles) at extremely high rate of 50 C.
Double Sequential Encrypted Targeting Sequence: A New Concept for Bone Cancer Treatment
Authors: Villaverde Gonzalo , Nairi Valentina , Baeza Alejandro , Vallet‐Regí María 
Published: February 2017

AbstractThe selective transportation of therapeutic agents to tumoral cells is usually achieved by their conjugation with targeting moieties able to recognize these cells. Unfortunately, simple and static targeting systems usually show a lack in selectivity. Herein, a double sequential encrypted targeting system is proposed as a stimuli‐responsive targeting analogue for selectivity enhancement. The system is able to recognize diseased bone tissue in the first place, and once there, a hidden secondary targeting group is activated by the presence of an enzyme overproduced in the malignant tissue (cathepsin K), thereby triggering the recognition of diseased cells. Transporting the cell targeting agent in a hidden conformation that contains a high selective tissular primary targeting, could avoid not only its binding to similar cell receptors but also the apparition of the binding‐site barrier effect, which can enhance the penetration of the therapeutic agent within the affected zone. This strategy could be applied not only to conjugate drugs but also to drug‐loaded nanocarriers to improve the efficiency for bone cancer treatments.
From Bola‐Surfactant Templated Bimetal Phosphites to the Design of Crystalline Inorganic Mesoporous Frameworks
Authors: Huang Hui‐Lin , Huang Wen‐Yen , Wang Sue‐Lein 
Published: February 2017

AbstractReproducing inorganic modules in situ for pore augmentation of pure inorganic frameworks is challenging but can be a key to rational synthesis. After the first success of using monoamines of varied lengths as a template in producing a set of building blocks that led to a series of growing channels up to a 72‐membered ring (72R), research continued into those building blocks to seek any new topologies from them. In this study, another type of template is reported that can control the same building blocks to repeatedly form in situ. By using long linear‐chain bola‐type surfactants, two new bimetal phosphites, a monoclinic phase exhibiting remarkable quasi‐channels of 1.15 nm and an orthorhombic phase with 28R channels of 1.06 nm have been created. By taking them as the first members, two series of novel topologies can be devised, each having a general formula to predict the size and channel wall compositions.
σ‐Hole and π‐Hole Synthon Mimicry in Third‐Generation Crystal Engineering: Design of Elastic Crystals
Authors: Saha Subhankar , Desiraju Gautam R. 
Published: February 2017

AbstractDesigning elastic crystals is a difficult task and is of relevance in potential applications from materials to biology. Here, multi‐step crystal engineering based on σ‐hole and π‐hole synthon mimicry is performed to obtain binary organic molecular crystals with a high degree of flexibility. A structural model is proposed based only on σ‐hole‐oriented type‐II halogen bonds with their characteristic orthogonal geometry. These σ‐hole contacts are then partly replaced by chemically and geometrically similar π‐hole synthons to obtain new crystals in the second step. In the final step, all the σ‐hole interactions are replaced with π‐hole interactions and elastic crystals of non‐halogenated compounds are obtained. All the crystals obtained according to our protocols are found to be elastic. When crystals that do not conform to the desired structure type appeared, they were found to be brittle. This underlines the role of orthogonal‐type interactions, whether they are of the σ‐hole or π‐hole type, in achieving elasticity. This is the first report in which π‐hole interactions are used for property engineering. This example may illustrate a new generation of crystal engineering in which a particular property is associated more with topological rather than chemical attributes, although the significance of the latter cannot be completely excluded.
A tree‐parenchyma coupled model for lung ventilation simulation
Authors: Pozin Nicolas , Montesantos Spyridon , Katz Ira , Pichelin Marine , Vignon‐Clementel Irene , Grandmont Céline 
Published: February 2017

AbstractIn this article, we develop a lung ventilation model. The parenchyma is described as an elastic homogenized media. It is irrigated by a space‐filling dyadic resistive pipe network, which represents the tracheobronchial tree. In this model, the tree and the parenchyma are strongly coupled. The tree induces an extra viscous term in the system constitutive relation, which leads, in the finite element framework, to a full matrix. We consider an efficient algorithm that takes advantage of the tree structure to enable a fast matrix‐vector product computation. This framework can be used to model both free and mechanically induced respiration, in health and disease. Patient‐specific lung geometries acquired from computed tomography scans are considered. Realistic Dirichlet boundary conditions can be deduced from surface registration on computed tomography images. The model is compared to a more classical exit compartment approach. Results illustrate the coupling between the tree and the parenchyma, at global and regional levels, and how conditions for the purely 0D model can be inferred. Different types of boundary conditions are tested, including a nonlinear Robin model of the surrounding lung structures.
One‐Pot Process for Hydrodeoxygenation of Lignin to Alkanes Using Ru‐Based Bimetallic and Bifunctional Catalysts Supported on Zeolite Y
Authors: Wang Hongliang , Ruan Hao , Feng Maoqi , Qin Yuling , Job Heather , Luo Langli , Wang Chongmin , Engelhard Mark H. , Kuhn Erik , Chen Xiaowen , Tucker Melvin P. , Yang Bin 
Published: February 2017

AbstractThe synthesis of high‐efficiency and low‐cost catalysts for hydrodeoxygenation (HDO) of waste lignin to advanced biofuels is crucial for enhancing current biorefinery processes. Inexpensive transition metals, including Fe, Ni, Cu, and Zn, were severally co‐loaded with Ru on HY zeolite to form bimetallic and bifunctional catalysts. These catalysts were subsequently tested for HDO conversion of softwood lignin and several lignin model compounds. Results indicated that the inexpensive earth‐abundant metals could modulate the hydrogenolysis activity of Ru and decrease the yield of low‐molecular‐weight gaseous products. Among these catalysts, Ru‐Cu/HY showed the best HDO performance, affording the highest selectivity to hydrocarbon products. The improved catalytic performance of Ru‐Cu/HY was probably a result of the following three factors: (1) high total and strong acid sites, (2) good dispersion of metal species and limited segregation, and (3) high adsorption capacity for polar fractions, including hydroxyl groups and ether bonds. Moreover, all bifunctional catalysts proved to be superior over the combination catalysts of Ru/Al2O3 and HY zeolite.
Levenberg‐Marquardt optimization method for coverage and connectivity control in backbone‐based wireless networks
Authors: Khan Khalid , Lobiyal D. K. 
Published: February 2017

SummaryOne of the main challenge in designing wireless networks is to ensure optimal coverage and connectivity, which can be achieved by optimally repositioning nodes in backbone network such that the total energy requirement is minimized. Therefore, an efficient optimization algorithm that converges at faster rate while minimizing the cost function (total power) is required. In this paper, we propose the use of Levenberg‐Marquardt optimization algorithm to achieve assured coverage and connectivity control in backbone‐based wireless networks. The Levenberg‐Marquardt method combines the advantages of Cauchy steepest descent method and Newton‐Raphson method and is expected to achieve faster convergence rate irrespective of initial conditions, which is the main motivation of this study. It relies on that when current solution is far from the optimal solution, then steepest descent method will be used, and as current solution approaches to optimal solution, then gradually switched to Newton‐Raphson method to find the optimal solution. Extensive simulations using MATLABR2020a has been performed to demonstrate the effectiveness of proposed method by measuring its performance in the number of iterations, elapsed time, and power requirement to maintain proper coverage and connectivity. The performance is compared with Cauchy steepest descent method as well as Newton‐Raphson method.
Self‐selection bias in eating disorders outcomes research: Does treatment response of underweight research participants and non‐participants differ?
Authors: Schreyer Colleen C. , Redgrave Graham W. , Hansen Jennifer L. , Guarda Angela S. 
Published: February 2017

AbstractObservational treatment studies provide a valuable alternative to RCTs but are often criticized due to potential self‐selection biases. Studies comparing those who do and do not participate in research on eating disorder treatment are scarce, but necessary to evaluate the impact of self‐selection bias on outcomes. All consecutive underweight adult first admissions (N = 392) to an integrated inpatient (IP)‐partial hospital (PH) behavioral specialty program were invited to participate in a longitudinal study of eating disorder treatment. Demographic and hospital course data were collected on participants (n = 234) and non‐participants (n = 158). Participants and non‐participants had similar BMI at admission, lengths of stay, and weight gain rates. Participants were less likely than non‐participants to end treatment prematurely from IP and were discharged at a higher BMI; the effect size was small. Few differences in hospital course were observed between participants and non‐participants. Although participants were more likely to transition to PH and were discharged at a higher BMI, completion of step‐down to PH within this integrated IP‐PH program rather than research participation status at admission was a better indicator of discharge BMI, which remains the strongest predictor of long‐term weight‐maintenance in eating disorders.
Species distribution modeling and molecular markers suggest longitudinal range shifts and cryptic northern refugia of the typical calcareous grassland species Hippocrepis comosa (horseshoe vetch)
Authors: Leipold Martin , Tausch Simone , Poschlod Peter , Reisch Christoph 
Published: February 2017

AbstractCalcareous grasslands belong to the most diverse, endangered habitats in Europe, but there is still insufficient information about the origin of the plant species related to these grasslands. In order to illuminate this question, we chose for our study the representative grassland species Hippocrepis comosa (Horseshoe vetch). Based on species distribution modeling and molecular markers, we identified the glacial refugia and the postglacial migration routes of the species to Central Europe. We clearly demonstrate that H. comosa followed a latitudinal and due to its oceanity also a longitudinal gradient during the last glacial maximum (LGM), restricting the species to southern refugia situated on the Peninsulas of Iberia, the Balkans, and Italy during the last glaciation. However, we also found evidence for cryptic northern refugia in the UK, the Alps, and Central Germany. Both species distribution modeling and molecular markers underline that refugia of temperate, oceanic species such as H. comosa must not be exclusively located in southern but also in western of parts of Europe. The analysis showed a distinct separation of the southern refugia into a western cluster embracing Iberia and an eastern group including the Balkans and Italy, which determined the postglacial recolonization of Central Europe. At the end of the LGM, H. comosa seems to have expanded from the Iberian refugium, to Central and Northern Europe, including the UK, Belgium, and Germany.
Bacterial cell‐to‐cell signaling promotes the evolution of resistance to parasitic bacteriophages
Authors: Moreau Pierre , Diggle Stephen P. , Friman Ville‐Petri 
Published: February 2017

AbstractThe evolution of host–parasite interactions could be affected by intraspecies variation between different host and parasite genotypes. Here we studied how bacterial host cell‐to‐cell signaling affects the interaction with parasites using two bacteria‐specific viruses (bacteriophages) and the host bacterium Pseudomonas aeruginosa that communicates by secreting and responding to quorum sensing (QS) signal molecules. We found that a QS‐signaling proficient strain was able to evolve higher levels of resistance to phages during a short‐term selection experiment. This was unlikely driven by demographic effects (mutation supply and encounter rates), as nonsignaling strains reached higher population densities in the absence of phages in our selective environment. Instead, the evolved nonsignaling strains suffered relatively higher growth reduction in the absence of the phage, which could have constrained the phage resistance evolution. Complementation experiments with synthetic signal molecules showed that the Pseudomonas quinolone signal (PQS) improved the growth of nonsignaling bacteria in the presence of a phage, while the activation of las and rhl quorum sensing systems had no effect. Together, these results suggest that QS‐signaling can promote the evolution of phage resistance and that the loss of QS‐signaling could be costly in the presence of phages. Phage–bacteria interactions could therefore indirectly shape the evolution of intraspecies social interactions and PQS‐mediated virulence in P. aeruginosa.
Assessment of the toxic effect of pesticides on honey bee drone fertility using laboratory and semifield approaches: A case study of fipronil
Authors: Kairo Guillaume , Poquet Yannick , Haji Haïthem , Tchamitchian Sylvie , Cousin Marianne , Bonnet Marc , Pelissier Michel , Kretzschmar André , Belzunces Luc P. , Brunet Jean-Luc 
Published: February 2017

Abstract

Concern about the reproductive toxicity of plant protection products in honey bee reproducers is increasing. Because the reproductive capacity of honey bees is not currently considered during the risk assessment procedure performed during plant protection product registration, it is important to provide methods to assess such potential impairments. To achieve this aim, we used 2 different approaches that involved semifield and laboratory conditions to study the impact of fipronil on drone fertility. For each approach, the drones were reared for 20 d, from emergence to sexual maturity, and exposed to fipronil via a contaminated sugar solution. In both groups, the effects of fipronil were determined by studying life traits and fertility indicators. The results showed that the survival and maturity rates of the drones were better under laboratory conditions than under semifield conditions. Moreover, the drones reared under laboratory conditions produced more seminal fluid. Although these differences could be explained by environmental factors that may vary under semifield conditions, it was found that regardless of the approach used, fipronil did not affect survival rates, maturity rates, or semen volumes, whereas it did affect fertility by inducing a decrease in spermatozoa quantity that was associated with an increase in spermatozoa mortality. These results confirm that fipronil affects drone fertility and support the relevance of each approach for assessing the potential reproductive toxicity of plant protection products in honey bees. Environ Toxicol Chem 2017;36:2345–2351. © 2017 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals, Inc. on behalf of SETAC.
Predictive meta-regressions relating mercury tissue concentrations of freshwater piscivorous mammals
Authors: Eccles Kristin M. , Thomas Philippe J. , Chan Hing Man 
Published: February 2017

Abstract

Mercury (Hg) is a pollutant of global concern. Sentinel species such as river otter (Lontra canadensis) and mink (Neovison vison) are often used to monitor environmental concentrations in freshwater ecosystems. Tissue total Hg (THg) concentrations are frequently used as biomarkers of exposure. However, there is no comprehensive model relating Hg tissue concentrations in different tissues, making interstudy comparisons challenging. Our objective was to establish conversion factors relating fur, brain, liver, kidney, and muscle THg concentrations using mean concentrations and standard errors reported in the literature. We used data from more than 6000 samples, pooled across 16 studies and 96 sampling sites in North America and Europe. Sixteen regressions were derived for the river otter and mink models, which were statistically significant at a 95% confidence interval and yielded high explained variances. The models were validated using an external data set of individually measured THg tissue concentrations. The validated conversions were used to evaluate the current fur Hg screening guidelines of 20 µg/g and 30 µg/g. At both of these fur concentrations, brain concentrations are of concern for altering brain neurochemistry. We suggest a more conservative fur Hg screening guideline of 15 µg/g to protect sensitive furbearers. The conversion factors can be used to predict internal organ THg concentrations from fur measurements, eliminating the need for invasive tissue sampling. Environ Toxicol Chem 2017;36:2377–2384. © 2017 SETAC
Abstract
Relational paths between different tissue compartments in river otter and mink.
Synthesis of new functionalized organophosphorus derivatives of methane‐ and 4‐substituted benzenesulfonic acids with P–C–N moieties
Authors: Prishchenko Andrey A. , Livantsov Mikhail V. , Novikova Olga P. , Livantsova Ludmila I. , Petrosyan Valery S. 
Published: February 2017

AbstractThe convenient methods of syntheses of new organophosphorus methane‐ and 4‐substituted benzenenesulfonylamides from the trivalent organophosphorus acid esters and reactive N‐chloromethyl N‐methyl methanesulfonylamide, phosphorylated methylamines with NH‐ and NSi moieties and methane‐ and 4‐substituted benzenesulfonyl chlorides were developed. The new types of functionalized organophosphorus derivatives of methane‐ and 4‐substituted benzenesulfonic acids with P–C–N moieties were afforded in good yields.
Human butyrylcholinesterase efficacy against nerve agent exposure
Authors: Reed Beth A. , Sabourin Carol L. , Lenz David E. 
Published: February 2017

AbstractAcetylcholinesterase is vital for normal operation of many processes in the body. Following exposure to organophosphorus (OP) nerve agents, death can ensue without immediate medical intervention. Current therapies mitigate the cholinergic crisis caused by nerve agents but do not fully prevent long‐term health concerns, for example, brain damage following seizures. Human butyrylcholinesterase (HuBChE) is a stoichiometric bioscavenger being investigated as an antidote for OP nerve agent poisoning. HuBChE sequesters OP nerve agent in the bloodstream preventing the nerve agent from reaching critical target organ systems. HuBChE was effective when used as both a pre‐treatment and as a post‐exposure therapy. HuBChE has potential for use in both military settings and to protect civilian first responders in situations where nerve agent usage is suspected. We reviewed various animal models studies evaluating the efficacy of HuBChE against nerve agent exposure, pursuant to its submission for approval under the FDA Animal Rule.
Protective effect of hydroxytyrosol in arsenic‐induced mitochondrial dysfunction in rat brain
Authors: Soni Manisha , Prakash Chandra , Sehwag Sfurti , Kumar Vijay 
Published: February 2017

AbstractThe present study was planned to investigate the protective effect of hydroxytyrosol (HT) against arsenic (As)‐induced mitochondrial dysfunction in rat brain. Rats exposed to sodium arsenite (25 ppm for 8 weeks) showed decreased mitochondrial complexes (I, II, IV) activities, mitochondrial superoxide dismutase (MnSOD), and catalase activities in brain mitochondria. As‐treated rats showed reduced mRNA expression of complex I (ND‐1, ND‐2), IV (COX‐1, COX‐4) subunits, and uncoupling protein‐2 (UCP‐2). In addition to this, As exposure downregulated the protein expression of MnSOD. Administration of HT with As restored the enzymatic activities of mitochondrial complexes, MnSOD and catalase, increased the mRNA levels of complexes subunits and UCP‐2 as well as proteins level of MnSOD. These results suggest that HT efficiently restores mitochondrial dysfunction in As neurotoxicity and might be used as potential mitoprotective agent in future.
Detection of volume alterations in hippocampal subfields of rats under chronic unpredictable mild stress using 7T MRI: A follow‐up study
Authors: Li Yuefeng , Zhu Xiaolan , Ju Shenghong , Yan Jinchuan , Wang Dongqing , Zhu Yan , Zang Fengchao 
Published: February 2017

PurposeTo determine hippocampal subfields volume loss in depression, which was simulated by a rat chronic unpredictable mild stress (CUMS) model. As different cellular and molecular characteristics in hippocampal subfields, these subfields are regarded as differentially vulnerable to processes associated with stress.Materials and MethodsTwenty male Wistar rats were exposed to various stressors until the model was successfully established. The effects of physical exercise on recovery of hippocampal volume in depressed rats were simulated using the wheel running test (WRT). These rats hippocampal volumes were dynamically measured using T2‐weighted images (T2WIs) at 7T structural magnetic resonance imaging (MRI).ResultsAfter 4 weeks of CUMS (CUMS‐4W), the behavioral tests showed that the rat model of depression was successfully established (P < 0.001). In this process, the bilateral CA1 volume was significantly atrophic after 2 weeks of CUMS (CUMS‐2W) compared with controls (left: 21.09 ± 2.31 vs. 26.16 ± 3.83 mm3, P < 0.001; right: 21.05 ± 2.36 vs. 26.12 ± 3.78 mm3, P < 0.001), whereas the other subfields did not show a similar change (all P > 0.05). The volume of CA3, dentate gyrus (DG), and subiculum displayed atrophy after CUMS‐4W (CA3: left:12.23 ± 1.10 mm3, right: 12.20 ± 1.14 mm3; DG: left:8.16 ± 0.58 mm3, right: 8.18 ± 0.92 mm3; subiculum: left: 4.30 ± 0.52 mm3, right: 4.29 ± 0.44 mm3; all P < 0.05). The rats' (CUMS‐4W) hippocampal DG volume was restored (left: 10.67 ± 1.60 mm3, right: 10.71 ± 1.58 mm3), and the depression‐like behaviors of these rats improved after WRT‐4W (P < 0.05).ConclusionIn general, volume loss was demonstrated in various rat hippocampal subfields during the development and recovery from depression, which were detected by ultrahigh‐field MRI.Level of Evidence: 3Technical Efficacy: Stage 3J. Magn. Reson. Imaging 2017;46:1456–1463.