bluuebunny/crossref_metadata_2025_split huggingface dataset:
Magneto‐Thermal Release from Nanoscale Unilamellar Hybrid Vesicles
Authors: Bixner Oliver , Bello Gianluca , Virk Mudassar , Kurzhals Steffen , Scheberl Andrea , Gal Noga , Matysik Artur , Kraut Rachel , Reimhult Erik 
Published: November 2016

AbstractHybrid vesicles of lipid and amphiphilic block copolymer combine the biological and functional versatility of lipid delivery systems with the mechanical stability and robustness of polymersomes. While studies of hybrid systems for ease of characterization have focused on giant vesicles, most encapsulation and release applications require nanoscale (large) unilamellar vesicles. We investigate the structure and physical characteristics important for thermal actuation of vesicle‐forming blends of saturated phospholipid, polybutadiene‐b‐poly(ethylene oxide) and thermoresponsive polyisoprene‐b‐poly(N‐isopropylacryl amide) that are additionally loaded with hydrophobic superparamagnetic nanoparticles in the vesicle membrane and resized to large unilamellar vesicles. Lipid/diblock copolymer hybrid vesicles are shown to be the most efficient option to trigger release of encapsulated compounds by application of an external magnetic field causing local hyperthermia. This superiority is shown to depend on the controlled formation of nanoscale lipid domains in the hybrid vesicle membrane and the efficient loading of hydrophobic nanoparticles into the diblock copolymer membrane that retains its stability.
Study of the Chemical Space of Selected Bacteriostatic Sulfonamides from an Information Theory Point of View
Authors: López‐Rosa Sheila , Molina‐Espíritu Moyocoyani , Esquivel Rodolfo O. , Soriano‐Correa Catalina , Dehesa Jésus S. 
Published: November 2016

AbstractThe relative structural location of a selected group of 27 sulfonamide‐like molecules in a chemical space defined by three information theory quantities (Shannon entropy, Fisher information, and disequilibrium) is discussed. This group is composed of 15 active bacteriostatic molecules, 11 theoretically designed ones, and para‐aminobenzoic acid. This endeavor allows molecules that share common chemical properties through the molecular backbone, but with significant differences in the identity of the chemical substituents, which might result in bacteriostatic activity, to be structurally classified and characterized. This is performed by quantifying the structural changes on the electron density distribution due to different functional groups and number of electrons. The macroscopic molecular features are described by means of the entropy‐like notions of spatial electronic delocalization, order, and uniformity. Hence, an information theory three‐dimensional space (IT‐3D) emerges that allows molecules with common properties to be gathered. This space witnesses the biological activity of the sulfonamides. Some structural aspects and information theory properties can be associated, as a result of the IT‐3D chemical space, with the bacteriostatic activity of these molecules. Most interesting is that the active bacteriostatic molecules are more similar to para‐aminobenzoic acid than to the theoretically designed analogues.
Precursor States of Organic Adsorbates on Semiconductor Surfaces are Chemisorbed and Immobile
Authors: Pecher Lisa , Tonner Ralf 
Published: November 2016

AbstractIntermediate states to covalent attachment of molecules on surfaces, so called precursors, are usually considered to be physisorbed and mobile. We show that this view should be reconsidered and provide evidence for a chemisorbed precursor for ethylene on Si(001). The character of the molecule‐surface bond as a π complex is determined and quantified using our recently developed method for energy and charge analysis in extended systems. In contrast to previous assumptions, the precursor should thus be immobile, which is underlined by computation of high diffusion energy barriers. This has important implications for understanding and modelling of adsorption kinetics. Our analysis highlights that taking the viewpoint of molecular chemistry helps uncover important aspects in the adsorption process on surfaces. Previous experimental results that appear to be in contrast to our model are examined and reinterpreted.
Adapting the eating disorder examination for use during pregnancy: Preliminary results from a community sample of women with overweight and obesity
Authors: Emery Rebecca L. , Grace Jennifer L. , Kolko Rachel P. , Levine Michele D. 
Published: November 2016

ABSTRACTObjectiveThe Eating Disorder Examination (EDE) is a structured clinical interview that is widely used for assessing disordered eating. Although the EDE has been used in pregnant women, no standard pregnancy version has been developed. Accordingly, the present study aimed to document adaptations made to a pregnancy version of the EDE (EDE‐PV) and to describe the internal reliability of this adapted version.MethodThree major modifications were made in the development of the EDE‐PV. First, disordered eating was assessed during and prior to pregnancy to account for changes across the perinatal period. Second, items were adapted and rules governing ratings were altered to distinguish eating attitudes and behaviors that are considered normative during pregnancy from disordered eating. Third, several items were omitted.ResultsThe EDE‐PV was administered to 129 women with overweight and obesity who were between 12 and 20 weeks gestation. Women were 27.25 (SD = 5.48) years of age and 56% were African American. Women endorsed low levels of disordered eating on the EDE‐PV, and the internal reliability was similar to previous reports.ConclusionThese findings provide support for use of the EDE‐PV to assess disordered eating among pregnant women with overweight and obesity. © 2016 Wiley Periodicals, Inc.(Int J Eat Disord 2017; 50:597–601)
Dual‐polarization radar products for biological applications
Authors: Stepanian Phillip M. , Horton Kyle G. , Melnikov Valery M. , Zrnić Dušan S. , Gauthreaux Sidney A. 
Published: November 2016

AbstractThe upgrade of the national network of next‐generation weather surveillance radars (NEXRAD) in the United States to dual polarizations has been completed, providing three additional routine data products: total differential phase (ψDP), differential reflectivity (ZDR), and copolar correlation coefficient (ρHV). The application and interpretation of these products in the context of aerial bird, bat, and insect movements is an actively developing research front, with potential implications for ecological and conservation studies. The following conceptually derives the definition of these products specifically for NEXRAD weather surveillance radars in the case of biological scatterers. Several cases are presented that illustrate characteristic values and variability of polarimetric quantities for birds and insects, and highlight site‐specific differences within the NEXRAD network. Finally, a short prospectus of future directions and applications within the field of polarimetric radar aeroecology is outlined.
An integrated data model to estimate spatiotemporal occupancy, abundance, and colonization dynamics
Authors: Williams Perry J. , Hooten Mevin B. , Womble Jamie N. , Esslinger George G. , Bower Michael R. , Hefley Trevor J. 
Published: November 2016

AbstractEcological invasions and colonizations occur dynamically through space and time. Estimating the distribution and abundance of colonizing species is critical for efficient management or conservation. We describe a statistical framework for simultaneously estimating spatiotemporal occupancy and abundance dynamics of a colonizing species. Our method accounts for several issues that are common when modeling spatiotemporal ecological data including multiple levels of detection probability, multiple data sources, and computational limitations that occur when making fine‐scale inference over a large spatiotemporal domain. We apply the model to estimate the colonization dynamics of sea otters (Enhydra lutris) in Glacier Bay, in southeastern Alaska.
Factors associated with reported challenging behavior in young people with epilepsy and neurodevelopmental problems: Data from a specialist epilepsy center
Authors: Reilly Colin , Scott Rod C. 
Published: November 2016

SummaryReported incidents of challenging behavior over a 6‐month period (December 2011–May 2012) were systematically recorded in young people (8–23 years) with epilepsy (n = 125), and a comparison group of young people without epilepsy (n = 64) at a specialist epilepsy center in the United Kingdom. Factors associated with such incidents were analyzed via regression analysis. The presence of epilepsy was not a significant predictor of recorded challenging behavior. Factors associated with increases in recorded challenging behavior on multivariable analysis in the epilepsy sample were the use of medication for behavioral/psychiatric conditions (p < 0.05) and attending the center on a residential basis (p < 0.001). In the total sample, use of medication for behavioral/psychiatric conditions (p < 0.05), younger age (p < 0.01), IQ < 50 (p < 0.01), and residential status (p < 0.001) were associated with increases in recorded challenging behavior. The presence of depression was associated with reduced challenging behavior in the total sample (p < 0.05).The association between the use of psychopharmacology and increased challenging behavior in those with epilepsy and nonepilepsy could indicate a difficult to treat behavioral/psychiatric burden, lack of treatment efficacy, and/or an increased side effect profile and needs further examination.
Finite element methods for a class of continuum models for immiscible flows with moving contact lines
Authors: Reusken Arnold , Xu Xianmin , Zhang Liang 
Published: November 2016

SummaryIn this paper, we present a finite element method for two‐phase incompressible flows with moving contact lines. We use a sharp interface Navier–Stokes model for the bulk phase fluid dynamics. Surface tension forces, including Marangoni forces and viscous interfacial effects, are modeled. For describing the moving contact lines, we consider a class of continuum models that contains several special cases known from the literature. For the whole model, describing bulk fluid dynamics, surface tension forces, and contact line forces, we derive a variational formulation and a corresponding energy estimate. For handling the evolving interface numerically, the level‐set technique is applied. The discontinuous pressure is accurately approximated by using a stabilized extended finite element space. We apply a Nitsche technique to weakly impose the Navier slip conditions on the solid wall. A unified approach for discretization of the (different types of) surface tension forces and contact line forces is introduced. Results of numerical experiments are presented, which illustrate the performance of the solver. Copyright © 2016 John Wiley & Sons, Ltd.
Hospital Policy and Productivity – Evidence from German States
Authors: Karmann Alexander , Roesel Felix 
Published: November 2016

AbstractTotal factor productivity (TFP) growth allows for additional healthcare services under restricted resources. We examine whether hospital policy can stimulate hospital TFP growth. We exploit variation across German federal states in the period 1993–2013. State governments decide on hospital capacity planning (number of hospitals, departments, and beds), ownership, medical students, and hospital investment funding. We show that TFP growth in German hospital care reflects quality improvements rather than increases in output volumes. Second‐stage regression results indicate that reducing the length of stay is generally a proper way to foster TFP growth. The effects of other hospital policies depend on the reimbursement scheme: Under activity‐based (German Diagnosis‐related Group) hospital funding, scope‐related policies (privatization and specialization) come with TFP growth. Under fixed daily rate funding, scale matters to TFP (hospital size and occupancy rates). Differences in capitalization in East and West Germany allow to show that deepening capital may enhance TFP growth if capital is scarce. We also show that there is less scope for hospital policies after large‐scale restructurings of the hospital sector. Copyright © 2016 John Wiley & Sons, Ltd.
Associations between early maternal sensitivity and children's sleep throughout early childhood
Authors: Tétreault Émilie , Bouvette‐Turcot Andrée‐Anne , Bernier Annie , Bailey Heidi 
Published: November 2016

AbstractDespite strong theoretical reasons to believe that the quality of parent–infant interactions should influence child sleep, the empirical evidence for links between maternal behavior and children's sleep is equivocal. Notably, it is unclear at which ages such influences might be particularly salient. The current study aimed to examine prospective longitudinal associations between early maternal sensitivity and children's sleep during early childhood. Maternal sensitivity was assessed at 12 months during a home visit. Children's sleep was measured at 12 and 18 months as well as at 2, 3, and 4 years, using a sleep diary completed by mothers. Results revealed significant or marginal positive associations between maternal sensitivity and children's sleep consolidation (percentage of nighttime sleep) at 2, 3, and 4 years, but not at the most proximal assessments of 12 and 18 months. These findings suggest that child age could potentially be a key factor in the associations between maternal behavior and children's sleep.Highlights

Associations between three dimensions of early maternal sensitivity and children's sleep from 1 to 4 years of age were investigated.
Maternal sensitivity was positively associated with children's sleep between 2 and 4 years, but not at 12 and 18 months.
The results suggest that child age could be a key factor in the associations between maternal behavior and children's sleep.
Synthesis and stability studies of Ga‐67 labeled phosphonium salts
Authors: Kardashinsky Mingyue , Lengkeek Nigel , Rendina Louis M. 
Published: November 2016

Delocalized lipophilic cations such as tri‐ and tetra‐arylphosphonium are able to diffuse across the mitochondrial membrane, which allows them to selectively accumulate in cells with a high transmembrane potential (ΔΨm). The mitochondrial membrane potential of cancer cells and cardiomyocytes has been reported to be significantly higher than that of normal epithelial cells. This feature can be exploited for the selective accumulation of phosphonium derivatives for the purposes of molecular imaging using radionuclides. Four structurally related Ga(III)‐phosphonium salts were synthesized and fully characterized and found to be modest in toxicity toward T98G human glioblastoma cells (IC50 > 4 mM). High‐activity (100 MBq) analogs containing Ga‐67 were also synthesized and their stabilities in phosphate‐buffered saline and human serum were determined.
Modulation of the peri‐infarct neurogliovascular function by delayed COX‐1 inhibition
Authors: Lake Evelyn M.R. , Mester James , Thomason Lynsie AM , Adams Conner , Bazzigaluppi Paolo , Koletar Margaret , Janik Rafal , Carlen Peter , McLaurin JoAnne , Stanisz Greg J , Stefanovic Bojana 
Published: November 2016

PurposeStroke is the leading cause of adult disability worldwide. The absence of more effective interventions in the chronic stage—that most patients stand to benefit from—reflects uncertainty surrounding mechanisms that govern recovery. The present work investigated the effects of a novel treatment (selective cyclooxygenase‐1, COX‐1, inhibition) in a model of focal ischemia.Materials and MethodsFR122047 (COX‐1 inhibitor) was given beginning 7 days following stroke (cortical microinjection of endothelin‐1) in 23 adult male rats. Longitudinal continuous‐arterial‐spin‐labeling was performed prior to treatment (7 days), and repeated following treatment (21 days) on a 7T magnetic resonance imaging (MRI) system to estimate resting perfusion and reactivity to hypercapnia. These in vivo measurements were buttressed by immunohistochemistry.ResultsStroke caused an increase in perilesional resting perfusion (peri‐/contralesional perfusion ratio of 170 ± 10%) and perfusion responses to hypercapnia (180 ± 10%) at 7 days. At 21 days, placebo‐administered rats showed normalized perilesional perfusion (100 ± 20%) but persistent hyperreactivity (190 ± 20%). Treated animals exhibited sustained perilesional hyperperfusion (180 ± 10%). Further, reactivity lateralization did not persist following treatment (peri‐ vs. contralesional reactivity: P = 0.002 at 7 vs. P = 0.2 at 21 days). Hemodynamic changes were accompanied by neuronal loss, increased endothelial density, and widespread microglial and astrocytic activation. Moreover, relative to controls, treated rats showed increased perilesional neuronal survival (22 ± 1% vs. 14.9 ± 0.8%, P = 0.02) and decreased microglia/macrophage recruitment (17 ± 1% vs. 20 ± 1%, P = 0.05). Finally, perilesional perfusion was correlated with neuronal survival (slope = 0.14 ± 0.05; R2 = 0.7, P = 0.03).ConclusionThese findings shed light on the role of COX‐1 in chronic ischemic injury and suggest that delayed selective COX‐1 inhibition exerts multiple beneficial effects on the neurogliovascular unit.Level of Evidence: 1Technical Efficacy: Stage 4J. MAGN. RESON. IMAGING 2017;46:505–517
A novel iterative algorithm for approximating equivalent circuits of numerical transfer functions
Authors: Zadehgol Ata , Avula Venkatesh 
Published: November 2016

AbstractRecently, we presented a novel method for pole residue equivalent system solver (PRESS). In this work, we provide the exact solution of local fit types 1, 2, and 3. We also modify the original algorithm to conduct parallel search for optimal solution across all frequencies, instead of targeting only the peak error. We further demonstrate PRESS through application to several numerical examples that are used to discuss convergence rate of solution. Finally, we highlight several topics for further research that could significantly enhance PRESS.
The Synechococcus cell surface protein SwmA increases vulnerability to predation by flagellates and ciliates
Authors: Strom Suzanne , Bright Kelley , Fredrickson Kerri , Brahamsha Bianca 
Published: November 2016

AbstractThe genus Synechococcus, a major contributor to ocean productivity, exhibits wide genetic variability and a distinct biogeography of genetic subgroups. Synechococcus sp. strain WH8102 is a motile Sargasso Sea isolate belonging to Clade III in subcluster 5.1. Non‐flagellar motility in WH8102 depends upon two large cell surface proteins, SwmA and SwmB. In the marine plankton, Synechococcus can experience high rates of mortality from protist predators, suggesting strong selective pressure for the maintenance of anti‐predation defenses. We used knockout mutants deficient in large cell surface proteins (SwmA‐ and SwmB‐) to test the hypothesis that these proteins defend WH8102 against predation by ciliates and flagellates, important consumers of Synechococcus in aquatic ecosystems. Contrary to our hypothesis, we found that wild‐type WH8102 were preyed upon at higher rates than SwmA‐ by ciliates and by two of three tested flagellate species. Thus the SwmA protein, constitutively produced by WH8102, made this strain more rather than less vulnerable to predation. SwmA proteins link to form the S layer, a cell coating known to promote adhesion in other microbial systems, suggesting the predation vulnerability arises from increased attachment between consumers and prey. Given the SwmA‐related enhancement of predation rates, our findings suggest two possibilities for WH8102 and perhaps other Clade III Synechococcus: (1) factors other than protist predation select for production of the S layer; (2) ingestion actually increases fitness, by exposing digestion‐resistant cells to beneficial conditions in the food vacuole.
Kinetic Control of Block Copolymer Self‐Assembly in a Micromixing Device – Mechanistical Insight into Vesicle Formation Process
Authors: Thiermann Raphael , Bleul Regina , Maskos Michael 
Published: November 2016

Control over the self‐assembly process plays a crucial role in the synthesis of supramolecular structures. In this study, the formation of block copolymer vesicles from poly(butadiene)‐block‐poly(ethyleneoxide) is extensively investigated and analyzed. It is shown how the application of micromixer technology enables not only to control the aggregate size but also to allow trapping thermodynamic instable intermediates during the vesicle formation. Anisotropic disk‐like polymer aggregates are identified by cryo‐TEM (transmission electron microscopy) measurements by tilting the TEM sample holder. These disk‐like micelles represent the precursors of vesicles that form the final spherical hollow spheres by closing up. These intermediates help to gain valuable insight into the self‐assembly mechanism, which is of great importance, e.g., for the successful encapsulation of hydrophilic particles and molecules into vesicular structures for targeted drug delivery. Kinetic control during self‐assembly of amphiphiles in the micromixer device also accomplishes access to highly defined polymer aggregate structures of distinct size and morphology.
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Kinetics and Modeling of the Radical Polymerization of Trimethylaminoethyl methacrylate chloride in Aqueous Solution
Authors: Drawe Patrick , Kattner Hendrik , Buback Michael 
Published: November 2016

For the radical polymerization of ionized trimethylaminoethyl methacrylate chloride (TMAEMA) in aqueous solution, two strategies to determine the propagation rate coefficient (kp) are proposed for systems where the pulsed‐laser polymerization–size‐exclusion chromatography (PLP–SEC) method fails. This problem occurs with some fully ionized or sterically highly hindered monomers, where termination may become too slow. As TMAEMA is a borderline case withkpbeing accessible by PLP–SEC and from single‐pulse–pulsed‐laser polymerization with electron paramagnetic resonance (SP–PLP–EPR) spectroscopy, studies into this monomer allow for judging the quality of the suggested alternative approaches ofkpmeasurement and serve for consistency checks of the previously publishedkpand termination rate coefficient (kt) data. Within both approaches,kp/〈kt〉0.5is measured via chemically initiated polymerization, with 〈kt〉 referring to chain‐length‐averaged termination. Thekp/〈kt〉0.5data are combined either withkp/〈kt〉 values from highly time‐resolved near‐infrared detection of monomer conversion induced by a single laser pulse (SP–PLP–NIR) or with Predici modeling on the basis of known chain‐length‐dependent termination kinetics. As coupled rate coefficients are measured, the obtainedkpdata also provide 〈kt〉 for a particular chain‐length distribution. The differences between propagation and termination rates of nonionized and fully ionized monomers are discussed.image