bluuebunny/crossref_metadata_2025 huggingface dataset:
The quality versus accessibility debate revisited: A contingency perspective on human information source selection
Authors: Woudstra Lilian , van den Hooff Bart , Schouten Alexander
Published: May 2015

Previous studies have not fully investigated the role of source accessibility versus source quality in the selection of information sources. It remains unclear what their (relative) importance is. Three different models have been identified: (a) an exclusively accessibility‐driven model, (b) a cost‐benefit model in which both accessibility and quality are significant influences, and (c) an exclusively quality‐driven model. Moreover, the conditions under which accessibility and quality are important are not well understood. The goal of our study is to shed more light on both issues by assessing the role of differentdimensionsof accessibility and quality and how their importance is affected by time pressure. We conducted a policy‐capturing study in which 89 financial specialists participated. Each judged 20 scenarios in which the accessibility and quality of human information sources, as well as time pressure, were manipulated. Results showed that both accessibility and quality affect the likelihood of asking a human information source for information. Moreover, although the weights attached to physical accessibility and the source's perceived technical quality were indeed moderated by time pressure, in both conditions we find support for a cost‐benefit model of information seeking, in which both accessibility and quality are significant influences.
Energetic 2,2‐Dimethyltriazanium Salts: A New Family of Nitrogen‐Rich Hydrazine Derivatives
Authors: Forquet Valérian , Sabaté Carlos Miró , Jacob Guy , Guelou Yann , Delalu Henri , Darwich Chaza
Published: May 2015

Amination of 1,1‐dimethylhydrazine with NH2Cl or hydroxylamine‐O‐sulfonic acid yields 2,2‐dimethyltriazanium (DMTZ) chloride (3) and sulphate (4), respectively. The DMTZ cation was paired with the nitrogen‐rich anions 5‐aminotetrazolate (5), 5‐nitrotetrazolate (6), 5,5′‐azobistetrazolate (7), and azide (8), yielding a new family of energetic salts. The synthesis was carried out by metathesis reactions of salts 3 or 4 and a suitable silver or barium salt. To minimize the risks involved when using heavy metal salts, we used electrodialysis for the synthesis of azide 8, which avoids the use of highly sensitive species. The DMTZ derivatives were characterized by IR and multinuclear NMR spectroscopy, elemental analysis, and X‐ray diffraction. Thermal stabilities were measured using DSC analysis and their sensitivities towards classical stimuli were determined using standard tests. Lastly, the relationship between hydrogen bonding in the solid state and sensitivity is discussed.
Are English free schools socially selective? A quantitative analysis
Authors: Green Francis , Allen Rebecca , Jenkins Andrew
Published: May 2015

Supporters and critics of free schools in England have had differing expectations about whether free schools would emerge in socially disadvantaged areas, and whether they would become socially selective. We investigate the outcomes, using information from the first three years since the introduction of the first new schools in 2011, drawn from the National Pupil Database. We find that, as policy proposers had expected, free schools have been situated in neighbourhoods that are somewhat above average in terms of the proportions entitled to free school meals, a well‐known indicator of social disadvantage. Nevertheless, we also find that the free schools are socially selective within their neighbourhoods. These two effects balance out so that, overall, compared with the average for all England, there are no great differences between the social composition of secondary free schools and that of the national average. However, at primary school level there is evidence that free schools are enrolling children with above average ability. Moreover, there are very substantive differences between the ethnic composition of free schools and other schools. Despite these differences, we find little evidence that the presence of free schools is having an effect on the social composition of intakes to other schools in their neighbourhoods or on segregation in the local authority as a whole. We suggest this may be because there are still too few free schools, with very small cohort sizes, recruiting from very dispersed areas.
Prediction intervals: Placing real bounds on regression‐based allometric estimates of biomass
Authors: Ward Peter J.
Published: May 2015

Biomass allometry studies routinely assume that regression models can be applied across species and sites, and that goodness of fit of a regression model to its derivation dataset indicates both the relevance of the model to a new dataset and the likely error. Assuming that a model is relevant for a new sample, a prediction interval is a useful error measure for stand mass. Prediction coverage tests whether the model and hence the interval are appropriate in the new sample. Data for three similar shrubby species from four similar sites were combined in various ways to test the impact of varying levels of biodiverse heterogeneity on the performance of the four models most commonly used in published biomass studies. No one model performed consistently well predicting new data, and validation checks were not good indicators of prediction coverage. The highly variable results suggest that the common models might contain insufficient variables. Euclidean distance was used to quantify the relative similarity of samples as a possible means of estimating prediction coverage; it proved unsuccessful with these data.
(R)‐α‐trifluoromethylalanine containing short peptide in the inhibition of amyloid peptide fibrillation
Authors: Botz Alexandra , Gasparik Vincent , Devillers Emmanuelle , Hoffmann Anais R. F. , Caillon Lucie , Chelain Evelyne , Lequin Olivier , Brigaud Thierry , Khemtemourian Lucie
Published: May 2015

The extracellular deposition of insoluble amyloid fibrils resulting from the aggregation of the amyloid‐β (Aβ) is a pathological feature of neuronal loss in Alzheimer's disease (AD). Numerous small molecules have been reported to interfere with the process of Aβ aggregation. Compounds containing aromatic structures, hydrophobic amino acids and/or the α‐aminoisobutyric acid (Aib) as β‐sheet breaker elements have been reported to be effective inhibitors of Aβ aggregation. We synthesized two peptides, one containing the Aib amino acid and the other including its trifluoromethylated analog (R)‐α‐Trifluoromethylalanine ((R)‐Tfm‐Alanine) and we evaluated the impact of these peptides on Aβ amyloid formation. The compounds were tested by standard methods such as thioflavin‐T fluorescence spectroscopy and transmission electron microscopy but also by circular dichroism, liquid state nuclear magnetic resonance (NMR) and NMR saturation transfer difference (STD) experiments to further characterize the effect of the two molecules on Aβ structure and on the kinetics of depletion of monomeric, soluble Aβ. Our results demonstrate that the peptide containing Aib reduces the quantity of aggregates containing β‐sheet structure but slightly inhibits Aβ fibril formation, while the molecule including the trifluoromethyl (Tfm) group slows down the kinetics of Aβ fibril formation, delays the random coil to β‐sheet structure transition and induces a change in the oligomerization pathway. These results suggest that the hydrophobic Tfm group has a better affinity with Aβ than the methyl groups of the Aib and that this Tfm group is effective and important in preventing the Aβ aggregation. © 2015 Wiley Periodicals, Inc. Biopolymers (Pept Sci) 104: 601–610, 2015.
The impact of interchain hydrogen bonding on β‐hairpin stability is readily predicted by molecular dynamics simulation
Authors: Niebling Stephan , Danelius Emma , Brath Ulrika , Westenhoff Sebastian , Erdélyi Máté
Published: May 2015

Peptides are frequently used model systems for protein folding. They are also gaining increased importance as therapeutics. Here, the ability of molecular dynamics (MD) simulation for describing the structure and dynamics of β‐hairpin peptides was investigated, with special attention given to the impact of a single interstrand sidechain to sidechain interaction. The MD trajectories were compared to structural information gained from solution NMR. By assigning frames from restraint‐free MD simulations to an intuitive hydrogen bond on/off pattern, folding ratios and folding pathways were predicted. The computed molecular model successfully reproduces the folding ratios determined by NMR, indicating that MD simulation may be straightforwardly used as a screening tool in β‐hairpin design. © The Authors. Biopolymers Published by Wiley Periodicals, Inc. Biopolymers (Pept Sci) 104: 703–706, 2015.
Water‐soluble chiral metallopeptoids
Authors: Baskin Maria , Maayan Galia
Published: May 2015

Metal ions play a significant role in the activity of biological systems including catalysis, recognition and folding. Therefore, introducing metal ions into peptidomimetic oligomers is a potential way for creating biomimetic metal complexes toward applications in sensing, recognition, drug design and catalysis. Herein we report the design, synthesis and characterization of water‐soluble chiral N‐substituted glycine oligomers, “peptoids,” with one and two distinct intramolecular binding sites for metal ions such as copper and cobalt. We demonstrate for the first time the incorporation of the chiral hydrophilic group (S)‐(+)‐1‐methoxy‐2‐propylamine (Nsmp) within peptoid sequences, which provides both chirality and water solubility. Two peptoids, a heptamer, and a dodecamer bearing two and four 8‐hydroxyquinoline (HQ) groups respectively as metal‐binding ligands, were synthesized on solid support using the submonomer approach. Using UV‐titrations and ESI‐MS analysis we demonstrate the creation of a novel metallopeptoid bearing two metal ions in distinct binding sites via intramolecular chelation. Exciton couplet circular dichroism (ECCD) demonstrated chiral induction from the chiral non‐helical peptoids to the metal centers. © 2015 Wiley Periodicals, Inc. Biopolymers (Pept Sci) 104: 577–584, 2015.
Synthesis and investigation of antimicrobial activity and spectrophotometric and dyeing properties of some novel azo disperse dyes based on naphthalimides
Authors: Shaki Hanieh , Gharanjig Kamaladin , Khosravi Alireza
Published: May 2015

A series of novel disperse dyes containing azo group were synthesized through a diazotization and coupling process. The 4‐amino‐N‐2‐aminomethylpyridine‐1,8‐naphthalimide was diazotized by nitrosylsulphuric acid and coupled with various aromatic amines such as N,N‐diethylaniline, N,N‐dihydroxyethylaniline, 8‐hydroxyquinoline, and 2‐methylindole. Chemical structures of the synthesized dyes were characterized by Fourier transform infrared (FTIR), differential scanning calorimetry (DSC), proton nuclear magnetic resonance (1H NMR), carbon nuclear magnetic resonance (13C NMR), elemental analysis, and ultraviolet–visible (UV–visible) spectroscopy. The spectrophotometric data of all dyes were evaluated in various solvents with different polarity. Eventually, the dyes were applied on polyamide fabrics in order to investigate their dyeing properties. The fastness properties of the dyed fabrics such as wash, light, and rubbing fastness degrees were measured by standard methods. Moreover, the color gamut of the synthesized dyes was measured on polyamide fabrics. Results indicated that some of the synthesized dyes were able to dye polyamide fabrics with deep shades. They had very good wash and rubbing fastness degrees and moderate‐to‐good light fastness on polyamide fabrics. The antibacterial and antifungal activities of the synthesized dyes were evaluated in soluble state and on the dyed fabrics. The results indicated that dye 2 containing N,N‐dihydroxyethylaniline as coupler had the highest activity against all the bacteria and fungi used. © 2015 American Institute of Chemical Engineers Biotechnol. Prog., 31:1086–1095, 2015
Untangling Self‐Blame and Mother‐Blame in Women's and Children's Perspectives on Maternal Protectiveness in Domestic Violence: Implications for Practice
Authors: Moulding Nicole T. , Buchanan Fiona , Wendt Sarah
Published: May 2015

Research into maternal protectiveness in domestic violence has focused either on women's experiences of mothering or children's experiences of growing up in domestic violence. This paper reports on a qualitative research study with both mothers and individuals who grew up in domestic violence that sought to explore perspectives on, and experiences of, maternal protectiveness in the two groups. The study used a feminist social constructionist theoretical perspective and a relational empowerment methodology, and involved interviews with nine mothers and 16 individuals who grew up in domestic violence. Thematic analysis revealed the different ways that mothers and children approached the question of so‐called ‘failure to protect’. Analysis revealed that themes of self‐blame by the mothers and mother‐blame by those who grew up in domestic violence were common, with three main thematic categories capturing the ways in which blame was constructed: (1) centring feminine traits; (2) self‐blame and guilt; and (3) the double bind of protection. The paper explores the gendered discourses about mothering and femininity that frame practices of self‐blame and mother‐blame, elaborating the double bind of protection that women face. The paper also explores the implications for practitioners who work with domestic violence in balancing the need to strengthen connections between mothers and children and, at the same time, safeguard children. Copyright © 2015 John Wiley & Sons, Ltd.

‘Thematic analysis revealed the different ways that mothers and children approached the question of so‐called ‘failure to protect’’

Key Practitioner Messages

Mothers commonly blame themselves for so-called ‘failure to protect’ their children in domestic violence.

Individuals who grew up in violence often blame their mothers for ‘failure to protect’.

Mother‐blame draws on a range of femininity and victim‐blaming discourses that can entangle women and children further in violence.

Practitioners can encourage communication between mothers and children to repair relationships after violence.
Hydrogen Production by a Photosynthetic Bacterium: Some Analytical Solutions
Authors: Rasi Muthuramalingam , Rajendran Lakshmanan
Published: May 2015

The mathematical model for hydrogen production by the photosynthetic bacterium Rhodobacter capsulatus in a batch photobioreactor is discussed. An analytical method – the homotopy perturbation method – is presented to solve the nonlinear differential equations that describe the biomass formation, substrate utilization, and hydrogen production with respect to time. Approximate analytical expressions for the concentrations of biomass, substrate and hydrogen are derived for various values of the relevant parameters. The analytical results are compared with experimental data. In addition, the sensitivity of the kinetic parameters is also analyzed. The time required to achieve the maximum growth of biomass and complete degradation of the substrate is reported.
Smart Hybrid Polymers for Advanced Damascene Electroplating: Combination of Superfill and Leveling Properties
Authors: Hai Nguyen Thi Minh , Broekmann Peter
Published: May 2015

A successful bottom‐up fill of single Damascene test features is achieved by using a two‐component additive package consisting of bis‐(sodium‐sulfopropyl)‐disulfide (SPS) and Imep polymers (polymerizates of imidazole and epichlorohydrin). In addition, a remarkable leveling effect is observed. Clearly, the Imep additive combines bottom‐up fill capabilities with leveling characteristics in one single polymer component. These unique hybrid properties of the Imep are rationalized on the basis of an extended N‐NDR (N‐shaped negative differential resistance) being present in the linear‐sweep voltammogram of the SPS/Imep additive system during Cu electrodeposition.
Homogenisieren einer nichtnewtonschen Petrolkoks/Wasser‐Suspension mit zweiflügligen Axialrührern
Authors: Altwasser Sebastian , Sperling Reinhard , Wollny Stefan , Klatt Detlef
Published: May 2015

Petrolkoks/Wasser‐Suspension können in einem Brennprozess zur Synthesegas‐Herstellung verwendet werden. Der nichtnewtonsche Charakter der Suspension kann zur Bildung von Kavernen führen, wodurch aufgrund von Konzentrationsgradienten ein ungleichmäßiges Verbrennen resultiert. Eine Machbarkeitsstudie für die Verwendung eines RUAX®‐Rührers als zwei‐ und dreistufiges System mit unterschiedlichen Drehzahlen für das Suspendieren von Petrolkoks in Wasser wird vorgestellt. Die Rheologie der Suspension wurde mit verschiedenen Messtechniken untersucht. In einem weiteren Schritt erfolgte die Durchführung von CFD‐Simulationen für verschiedene Konfigurationen. Die ermittelte Kavernengröße wird mit Ergebnissen eines Literaturmodells verglichen.
Basic design methodology for a prilling tower
Authors: Saleh Saad N. , Ahmed Shakir M. , Al‐mosuli Dawood , Barghi Shahzad
Published: May 2015

A design methodology was developed for prilling towers based on simultaneous heat, mass, and momentum balances. Basic principles of the prilling process and related sub‐models were considered for production of relatively mono‐size prills. The method was employed in the design of a prilling tower for production of ammonium nitrate prills from a highly concentrated solution. A special showerhead spray, operating under laminar conditions in a Rayleigh jet break‐up regime, was designed to enhance production of mono‐size prills. Air was used at ambient conditions. The droplets leaving the showerhead fall through the air stream in a counter‐current fashion. Heat transfer from particles to air includes cooling in the fully liquid state, solidification, and cooling in the fully solid state.

The Computational Fluid Dynamics (CFD) simulation revealed the formation of a quiescent zone around the nozzle discharge region, which had a significant effect on decreasing the secondary disintegration of the droplets, and hence narrowed down the size distribution towards the desired value. The size of the produced prills was larger than the predicted value due to the formation of ammonia bubbles inside the prills.
Novel surfactant delivery system for controlling surfactant adsorption onto solid surfaces. Part II: Dynamic adsorption tests
Authors: Alhassawi Hassan , Romero‐Zerón Laura
Published: May 2015

During surfactant flooding in enhanced oil recovery (EOR), surfactant adsorption onto rock surfaces constitutes a serious shortcoming because as the chemical slug flows through the oil reservoir, surfactant is lost to adsorption before it reaches the target residual oil saturation zones, which renders the process technically inefficient and uneconomical.

This work is the second phase of a wider study aimed at the evaluation of a new technology to control surfactant adsorption onto solid surfaces by using a surfactant delivery system based on surfactant/β‐CD inclusion complexes. This complexation was confirmed through surface tensiometry, 1H NMR and FTIR spectroscopy, and microscopic studies (TEM and SEM). The performance of the surfactant delivery system in controlling surfactant adsorption was evaluated through dynamic adsorption tests using different mixtures of solid adsorbents (sandstone, shale, and kaolinite).

Dynamic adsorption data show reductions of surfactant adsorption ranging from 50–92 % for all the adsorbents tested; therefore, the surfactant delivery system seems to be highly effective in inhibiting surfactant adsorption onto solid surfaces. This new technology has great potential for EOR chemical flooding applications.
Performance of alkali‐free natural petroleum sulfonates: Ultra‐low interfacial tension on oil/water interface
Authors: Weng Zhan , Zhang Peng‐Yuan , Chu Guang‐Wen , Wang Wei , Yun Jimmy , Chen Jian‐Feng
Published: May 2015

Ultra‐low interfacial tension (IFT) is one of the most important conditions relating to surfactant flooding for enhanced oil recovery. In this paper, the dynamic interfacial tension (DIT) of an alkali‐free petroleum sulfonate surfactant was studied with the spinning drop method aimed at the Daqing oil/water system. The effects of various experimental conditions, such as surfactant concentration, inorganic salt concentration, polar organic compounds, oil‐soluble sulfonates, and time stability were investigated. It was shown that the aqueous phase has little effect on DIT. The high molecular weight petroleum sulfonates play an important role in the lowering of oil/water IFT. The non‐uniform changes of the oil droplets in DIT measurements were also discussed from the aspects of petroleum sulfonate composition and diffusion rate. The increase of aqueous phase viscosity could only ease the rebound phenomenon, while the increase of heavy components of petroleum sulfonates could both eliminate the non‐uniform changes of the oil droplets and reduce the values of the IFT. These results may be helpful in explaining the reasons behind producing ultra‐low interfacial tension and the preparation of formulations for practical applications.
Nectin‐1 spots as a novel adhesion apparatus that tethers mitral cell lateral dendrites in a dendritic meshwork structure of the developing mouse olfactory bulb
Authors: Inoue Takahito , Fujiwara Takeshi , Rikitake Yoshiyuki , Maruo Tomohiko , Mandai Kenji , Kimura Kazushi , Kayahara Tetsuro , Wang Shujie , Itoh Yu , Sai Kousyoku , Mori Masahiro , Mori Kensaku , Mizoguchi Akira , Takai Yoshimi
Published: May 2015

Mitral cells project lateral dendrites that contact the lateral and primary dendrites of other mitral cells and granule cell dendrites in the external plexiform layer (EPL) of the olfactory bulb. These dendritic structures are critical for odor information processing, but it remains unknown how they are formed. In immunofluorescence microscopy, the immunofluorescence signal for the cell adhesion molecule nectin‐1 was concentrated on mitral cell lateral dendrites in the EPL of the developing mouse olfactory bulb. In electron microscopy, the immunogold particles for nectin‐1 were symmetrically localized on the plasma membranes at the contacts between mitral cell lateral dendrites, which showed bilateral darkening without dense cytoskeletal undercoats characteristic of puncta adherentia junctions. We named the contacts where the immunogold particles for nectin‐1 were symmetrically accumulated "nectin‐1 spots." The nectin‐1 spots were 0.21 μm in length on average and the distance between the plasma membranes was 20.8 nm on average. In 3D reconstruction of serial sections, clusters of the nectin‐1 spots formed a disc‐like structure. In the mitral cell lateral dendrites of nectin‐1‐knockout mice, the immunogold particles for nectin‐1 were undetectable and the plasma membrane darkening was electron‐microscopically normalized, but the plasma membranes were partly separated from each other. The nectin‐1 spots were further identified between mitral cell lateral and primary dendrites and between mitral cell lateral dendrites and granule cell dendritic spine necks. These results indicate that the nectin‐1 spots constitute a novel adhesion apparatus that tethers mitral cell dendrites in a dendritic meshwork structure of the developing mouse olfactory bulb. J. Comp. Neurol. 523:1824–1839, 2015. © 2015 Wiley Periodicals, Inc.
Clinical Pharmacogenetics Implementation Consortium (CPIC) Guideline for CYP2D6 and CYP2C19 Genotypes and Dosing of Selective Serotonin Reuptake Inhibitors
Authors: Hicks JK , Bishop JR , Sangkuhl K , Müller DJ , Ji Y , Leckband SG , Leeder JS , Graham RL , Chiulli DL , LLerena A , Skaar TC , Scott SA , Stingl JC , Klein TE , Caudle KE , Gaedigk A
Published: May 2015

Selective serotonin reuptake inhibitors (SSRIs) are primary treatment options for major depressive and anxiety disorders. CYP2D6 and CYP2C19 polymorphisms can influence the metabolism of SSRIs, thereby affecting drug efficacy and safety. We summarize evidence from the published literature supporting these associations and provide dosing recommendations for fluvoxamine, paroxetine, citalopram, escitalopram, and sertraline based on CYP2D6 and/or CYP2C19 genotype (updates at www.pharmgkb.org).
Tribology and oxidation studies of fatty acid sulfide derivatives synthesized via thiol‐ene “Click” additions
Authors: Sammaiah Arukali , Padmaja Korlipara V. , Prasad Rachapudi B. N.
Published: May 2015

The synthesis of sulfide derivatives via thiol‐ene addition reactions of methyl oleate and methyl 10‐ undecenoate as substrates is reported. The substrate fatty acids contained a terminal double bond in methyl 10‐undecenoate and an internal double bond in methyl oleate. Thiol‐ene addition of unsaturated fatty acid ester derivatives with hydroxy and amine functionality on the fatty acids was carried out under thermal conditions. The synthesized products were characterized by 1H, 13C NMR, FT‐IR, and GC‐MS analysis and evaluated for their antioxidant, extreme pressure (EP), and antiwear (AW) properties in base oil namely, epoxy jatropha fatty acid n‐butyl esters (EJB). Synthesized products exhibited comparable antioxidant efficacy to butylated hydroxyl toluene (BHT). All four synthesized sulfide derivatives significantly enhanced the weld point of the base oil EJB and exhibited comparable performance to TCP (tricresyl phosphate) at 1 wt% level. Methyl 9(10)‐(2‐hydroxyethylthio) octadecanoate at 0.5% concentration exhibited considerable improvement in the wear scar of base oil from 0.834 to 0.422 mm. The synthesized sulfide derivatives have potential as multifunctional additives for biolubricant basestocks.

Practical applications: Synthesis of multifunctional additives via thiol‐ene addition under thermal conditions. The prepared sulfide derivatives were found to exhibit good antioxidant, antiwear, and extreme pressure additives. The synthesized additives exhibited comparable performance to commercial additives. The products are potential biobased alternatives for commercial additives.

Sulfide derivatives as multifunctional additives.
Ash Sintering Behavior of Lignite in Catalyzed Steam Gasification with Kaolin as Additive
Authors: Zhang Ji‐guang , Zhang Li , Yang Zhong‐qing , Yan Yun‐fei , Ran Jing‐yu
Published: May 2015

An investigation of the ash sintering characteristics of LLI lignite with kaolin additive during K2CO3‐catalyzed steam gasification was conducted in this study. The ash samples were prepared using a catalytic gasification system at 1073 K under steam atmosphere. Experiments on the sintering behavior were performed using a pressure‐drop sintering device under inert N2. Results showed that when increasing the concentration of K2CO3 from 0 to 10 wt %, the ash sintering temperature decreased and the ash molten degree become more serious. The potassium‐containing compounds arcanite and kaliophilite can trigger the occurrence of sintering on reactions with other minerals to facilitate the formation of liquid phases and then result in a lower ash sintering temperature. Besides, kaolin can increase ash sintering temperature and ease the melt degree of ashes. Kaolin can react with other minerals to generate more refractory silicon oxide and decrease the fluxing arcanite and amorphous materials in ashes.
Robust and Powerful Affected Sibpair Test for Rare Variant Association
Authors: Lin Keng‐Han , Zöllner Sebastian
Published: May 2015

Advances in DNA sequencing technology facilitate investigating the impact of rare variants on complex diseases. However, using a conventional case‐control design, large samples are needed to capture enough rare variants to achieve sufficient power for testing the association between suspected loci and complex diseases. In such large samples, population stratification may easily cause spurious signals. One approach to overcome stratification is to use a family‐based design. For rare variants, this strategy is especially appropriate, as power can be increased considerably by analyzing cases with affected relatives. We propose a novel framework for association testing in affected sibpairs by comparing the allele count of rare variants on chromosome regions shared identical by descent to the allele count of rare variants on nonshared chromosome regions, referred to as test for rare variant association with family‐based internal control (TRAFIC). This design is generally robust to population stratification as cases and controls are matched within each sibpair. We evaluate the power analytically using general model for effect size of rare variants. For the same number of genotyped people, TRAFIC shows superior power over the conventional case‐control study for variants with summed risk allele frequency ; this power advantage is even more substantial when considering allelic heterogeneity. For complex models of gene‐gene interaction, this power advantage depends on the direction of interaction and overall heritability. In sum, we introduce a new method for analyzing rare variants in affected sibpairs that is robust to population stratification, and provide freely available software.
Quantitative assessment of CO2 storage capacity by using of hydrogeochemical and isotope data for deep saline aquifers
Authors: Li Yiman , Pang Zhonghe
Published: May 2015

CO2 sequestration in deep saline aquifers presents a viable option for CO2 emissions mitigation while accurate evaluation of CO2 storage capacity is central to effective site selection. Existing methods are mostly based on consideration of trapping mechanisms, which is problematic in accurate determination of the storage efficiency factor and exposes results to considerable error. Many studies simply adopt DOE figures, which can't represent diverse geological conditions across the globe. A new geochemical‐based method is proposed which considers CO2 trapping states rather than trapping mechanisms. It is especially effective for site‐scale CO2 storage capacity calculation with single injection well and a timeframe of a hundred to a thousand years. This method considers injected CO2 trapped in forms of free state and soluble state, but excludes the mineral trapping state. Effective pore volume is calculated based on two simplified models of CO2 plume within effective affecting radius in which trigonal pyramidal and cylindrical models represent minimum and maximum volume, respectively. Calculations of free CO2 saturation and the ratio of dissolved inorganic carbonate contributed by CO2 dissolution are used to calculate effective CO2 storage capacity in forms of free and soluble state, respectively. Isotope and hydrogeochemical data changes pre‐ and post‐CO2 injection are used to calculate free CO2 saturation and ratio of dissolved inorganic carbonate contributed by CO2 dissolution. Numerical simulation with calibration by measured values and calculation of CO2 consumption per unit weight of rock is suggested to assess CO2 trapped by mineral state at timeframe of tens of thousands years.© 2015 Society of Chemical Industry and John Wiley & Sons, Ltd
Mode of formation of the Nile Gorge in northern Egypt: a study by DEM‐SRTM data and GIS analysis
Authors: Abdelkareem Mohamed , El‐Baz Farouk
Published: May 2015

This is an overview of the mode of formation of the Nile Gorge in northern Egypt. It is based on the interpretation of the Shuttle Radar Topography Mission (SRTM) data along with detailed analysis of landsat image, geological map and seismic data. The results show that the current course of the Nile was caused by a differential uplift of two plateaus: Ma'aza, to the east, and Western Desert plateau, to the west of the river. This uplift is caused by dynamic forces resulting from subsurface convection processes. It also contributed to the formation of several drainage systems, basins and structural features. Abundant faults and fractures that are parallel to the Nile Valley on both flanks that are associated with uplift are proven to be contemporaneous with formation of the river. We conclude that understanding of the uplift is crucial to visualizing the Nile course and its geodynamic formation. The information derived from the SRTM data reveals invaluable knowledge in support of the presented remotely sensed geological features. The paper clearly explains the stages of formation of the Nile segments in space and time and structural controls on the path of the Nile River in Egypt. Copyright © 2015 John Wiley & Sons, Ltd.
Allele‐specific imbalance mapping at human orthologs of mouse susceptibility to colon cancer (Scc) loci
Authors: Gerber Madelyn M. , Hampel Heather , Zhou Xiao‐Ping , Schulz Nathan P. , Suhy Adam , Deveci Mehmet , Çatalyürek Ümit V. , Ewart Toland Amanda
Published: May 2015

Colorectal cancer (CRC) can be classified into different types. Chromosomal instable (CIN) colon cancers are thought to be the most common type of colon cancer. The risk of developing a CIN‐related CRC is due in part to inherited risk factors. Genome‐wide association studies have yielded over 40 single nucleotide polymorphisms (SNPs) associated with CRC risk, but these only account for a subset of risk alleles. Some of this missing heritability may be due to gene‐gene interactions. We developed a strategy to identify interacting candidate genes/loci for CRC risk that utilizes both linkage and RNA‐seq data from mouse models in combination with allele‐specific imbalance (ASI) studies in human tumors. We applied our strategy to three previously identified CRC susceptibility loci in the mouse that show evidence of genetic interaction: Scc4, Scc5 and Scc13. 525 SNPs from genes showing differential expression in the mouse and/or a previous role in cancer from the literature were evaluated for allele‐specific imbalance in 194 paired human normal/tumor DNAs from CIN‐related CRCs. One hundred three SNPs showing suggestive evidence of ASI (31 variants with uncorrected p values < 0.05) were genotyped in a validation set of 296 paired DNAs. Two variants in SNX10 (SCC13) showed significant evidence of allelic selection after multiple comparisons testing. Future studies will evaluate the role of these variants in combination with interacting genetic partners in colon cancer risk in mouse and humans.
Non‐steroidal anti‐inflammatory drugs and the risk of head and neck cancer: A case‐control analysis
Authors: Becker Claudia , Wilson Jessica Claire , Jick Susan S. , Meier Christoph R.
Published: May 2015

Non‐steroidal anti‐inflammatory drugs (NSAIDs) and acetylsalicylic acid (aspirin) have been associated with a reduced risk for certain cancers. We explored the association between use of NSAIDs and the risk of head and neck cancer (HNC). We conducted a case‐control analysis in the UK‐based Clinical Practice Research Datalink (CPRD) among people below the age of 90 years with incident HNC between 1995 and 2013. Six controls per case were matched on age, sex, calendar time, general practice, and number of years of active history in the CPRD prior to the HNC diagnosis. Other potential confounders including comorbidities and comedication were also evaluated, and we adjusted our final analyses for BMI, smoking and alcohol consumption. Our analyses included 2,745 HNC cases and 16,470 controls. Aspirin or NSAID use overall did not significantly change the HNC risk. However, patients with six or more prescriptions for ibuprofen were at a statistically significantly reduced risk for HNC (adjusted OR 0.59, 95% CI 0.37–0.94). The HNC risk tended to decrease with increasing cumulative exposure to ibuprofen, and to be more pronounced for cancer of the larynx. To conclude, in this large population‐based observational study we found a decreased risk for HNC associated with regular use of ibuprofen.
Physical Organic Chemistry by Any Other Name Would Smell as Sweet
Authors: Chapin Brette M. , Anslyn Eric V.
Published: May 2015

The techniques and thought processes of the field of physical organic chemistry, focused on small organic molecule structure and reactivity, have been taken up by numerous other fields, including, but not limited to, sensor design, organometallics, organic materials, organocatalysis, and supramolecular chemistry. The unifying principles of each field stem from physical organic chemistry pursuits. The insights, terminology, and lessons, as well as the experimental and computational techniques of physical organic chemistry currently permeate nearly all fields of organic chemistry. Thus, although the number of individuals that call themselves physical organic chemists is dwindling, we should recognize this as the inevitable outcome, revealing the strength of the discipline—it is so powerful that all areas of organic chemistry have adopted it, and therefore, we are all physical organic chemists at heart. This manuscript sets forth to highlight this conclusion by showing how several recent studies in fields not historically recognized as physical organic can be described as being so. The message is upbeat; organic chemists have a common background and language that emanates from physical organic chemistry, irrespective of the titles we each associate ourselves with.
Effects of storage medium and UV photofunctionalization on time‐related changes of titanium surface characteristics and biocompatibility
Authors: Shen Jian‐Wei , Chen Yun , Yang Guo‐Li , Wang Xiao‐Xiang , He Fu‐Ming , Wang Hui‐Ming
Published: May 2015

Storage in aqueous solution and ultraviolet (UV) photofunctionalization are two applicable methods to overcome the biological aging and increase the bioactivity of titanium. As information regarding the combined effects of storage medium and UV photofunctionalization has never been found in published literatures, this study focused on whether appropriate storage methods and UV photofunctionalization have synergistic effects on the biological properties of aged titanium surfaces. Titanium plates and discs were sandblasted and acid etched and then further prepared in five different modes as using different storage mediums (air or dH2O) for 4 weeks and then with or without UV treatment. The surface characteristics were evaluated with scanning electron microscopy, contact angle measurements, and X‐ray photoelectron spectroscopy. MC3T3‐E1 cells were cultured on the surfaces, and cellular morphology, proliferation, alkaline phosphatase activity, and osteocalcin release were evaluated. The results showed that nanostructures were observed on water‐stored titanium surfaces with a size of about 15 × 20 nm2. UV treatment was effective to remove the hydrocarbon contamination on titanium surfaces stored in either air or water. UV photofunctionalization further enhanced the already increased bioactivity of modSLA on initial cell attachment, proliferation, alkaline phosphatase activity, and osteocalcin release. Overall, UV photofunctionalization was effective in further enhancing the already increased bioactivity by using dH2O as storage medium, and the effect of UV treatment was much more overwhelming than that of the storage medium. © 2015 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 104B: 932–940, 2016.
Effect of PEO coating on bubble behavior within a polycarbonate microchannel array: A model for hemodialysis
Authors: Coblyn Matthew , Truszkowska Agnieszka , Mohammadi Mahshid , Heintz Keely , McGuire Joseph , Sharp Kendra , Jovanovic Goran
Published: May 2015

Obstruction of fluid flow by stationary bubbles in a microchannel hemodialyzer decreases filtration performance and increases damage to blood cells through flow maldistribution. A polyethylene oxide (PEO)–polybutadiene (PB)–polyethylene oxide surface modification, previously shown to reduce protein fouling and water/air contact angle in polycarbonate microchannel hemodialyzers, can improve microchannel wettability and may reduce bubble stagnation by lessening the resistive forces that compete with fluid flow. In this study, the effect of the PEO–PB–PEO coating on bubble retention in a microchannel array was investigated. Polycarbonate microchannel surfaces were coated with PEO–PB–PEO triblock polymer via radiolytic grafting. Channel obstruction was measured for coated and uncoated microchannels after injecting a short stream of air bubbles into the device under average nominal water velocities of 0.9 to 7.2 cm/s in the channels. The presence of the PEO coating reduced obstruction of microchannels by stationary bubbles within the range of 1.8 to 3.6 cm/s, average nominal velocity. Numerical simulations based on the lattice Boltzmann method indicate that beneficial effects may be due to the maintenance of a lubricating, thin liquid film around the bubble. The determined effective range of the PEO coating for bubble management serves as an important design constraint. These findings serve to validate the multiutility of the PEO–PB–PEO coating (bubble lubrication, biocompatibility, and therapeutic loading). © 2015 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 104B: 941–948, 2016.
Reticulocyte Hemoglobin Content During the First Month of Life in Critically Ill Very Low Birth Weight Neonates Differs From Term Infants, Children, and Adults
Authors: Al‐Ghananim Raeda T. , Nalbant Demet , Schmidt Robert L. , Cress Gretchen A. , Zimmerman M. Bridget , Widness John A.
Published: May 2015

Background

Reticulocyte hemoglobin content (RET‐He)—an established indicator of iron status in children and adults—was determined in very low birth weight (VLBW) infants.

Methods

Longitudinal retrospective RET‐He data in 26 VLBW neonates during the first month of age were compared with: (a) concurrent complete blood counts (CBCs), including hemoglobin (Hb) concentration, reticulocyte count, and immature reticulocyte fraction (IRF), and erythropoietin (EPO) levels; (b) clinical variables; and (c) RET‐He data from the literature for term infants, children, and adults.

Results

RET‐He within 24 hr following birth was 31.8 ± 1.1 pg (mean ± SEM). This was followed by an abrupt, significant decline to 28.3 ± 1.1 pg at 2–4 days, and to steady state levels of 28.4 ± 0.5 pg thereafter. The changes in RET‐He were mirrored by changes in plasma EPO, reticulocyte count, and IRF, but not Hb. Steady state RET‐He values after 4 days were significantly lower than RET‐He values for term infants, children, and adults (31.6 ± 0.11, 32.0 ± 0.12, and 33.0 ± 0.13 pg, respectively).

Conclusion

Although RET‐He values in VLBW infant were lower than term infants, children, and adults, the significance and mechanism(s) responsible are unknown. The present VLBW infant data are relevant to investigations assessing hemoglobinization following treatment with recombinant human EPO (r‐HuEPO) and/or iron.
Evolution of viviparity in squamate reptiles: Reversibility reconsidered
Authors: Blackburn Daniel G.
Published: May 2015

Viviparity in squamate reptiles is widely recognized as having evolved convergently from oviparity more than 100 times. However, questions persist as to whether reversals from viviparity back to oviparity have ever occurred. Based on a theoretical model, a recent paper (Pyron and Burbrink, 2014) has proposed that viviparity is ancestral for squamates and that viviparity—oviparity reversals have far outnumbered origins of viviparity in reproductive history. Close examination of this analysis reveals features that cast doubt on its plausibility, notably the requirement of repeated, sequential transformations back and forth between these reproductive modes, as well as numerous, uncounted evolutionary transformations that have produced inaccurate estimates of parsimony. Evidence derived from studies of anatomy, physiology, and developmental biology strongly supports the inference that oviparity is ancestral for squamates and has given rise to viviparity on numerous occasions. Biological data provide important insights into the likelihood of evolutionary transformations, and deserve to be incorporated fully into future analyses of the evolution of reproductive modes. J. Exp. Zool. (Mol. Dev. Evol.) 324B: 473–486, 2015. © 2015 Wiley Periodicals, Inc.
Chiral and Achiral 1,3,4‐Oxadiazolophanes: A New Class of Cyclophanes in Supramolecular Chemistry
Authors: Sebastian Raja , Ayyavu Thirunarayanan , Perumal Rajakumar
Published: May 2015

The synthesis of novel oxadiazolophanes with chiral (S)‐BINOL and methylene bis‐naphthyl as building blocks has been achieved by one pot reaction with simple and mild condition.
Numerical determination of coaxial cable parameters in cryogenic environments for high‐frequency active device noise modeling
Authors: Cleriti Riccardo , Colangeli Sergio , Ciccognani Walter , Palomba Mirko , Limiti Ernesto
Published: May 2015

This contribution presents an original mathematical method for numerically evaluating the noise parameters of a transmission line subject to an arbitrary thermal gradient. Compared with previous methods, this procedure permits to easily take into account possible variations of line parameters along the propagation direction due to very high thermal excursions. The principal application of the proposed method is coaxial cable modeling in noise figure measurement setups under cryogenic conditions: the connection cable or waveguide from the outside to the inside of the cryogenic vacuum chamber are subject to non‐negligible thermal excursions. Under these conditions, significant de‐embedding errors may arise if the cables are not correctly modeled, given the very low values of noise figure, which are commonly exhibited by in cryo‐cooled devices. The behavior of transmission lines subject to thermal gradients is investigated through extensive 3D thermal and electromagnetic simulations. Simulated data are then input to a numerical algorithm for efficiently determining both scattering and noise parameters of coaxial cables actually used in a cryogenic probe station developed and realized in the facilities of the University of Rome Tor Vergata. A measurement campaign has been performed to validate the simulation‐based approach. Subsequently, the numerical model has been used to de‐embed the noise contribution of the coaxial cables from cryogenic NF50 measurements of a 70 nm metamorphic high electron mobility transistor (mHEMT). Copyright © 2015 John Wiley & Sons, Ltd.
The uncertainty of break positions detected by homogenization algorithms in climate records
Authors: Lindau Ralf , Venema Victor
Published: May 2015

Long instrumental climate records suffer from inhomogeneities due to, e.g. relocations of the stations or changes in instrumentation, which may introduce sudden jumps into the time series. These inhomogeneities may mask or strengthen true trends. Relative homogenization algorithms use the difference time series of a candidate station with neighboring stations to identify such breaks (changepoints). Modern multiple breakpoint methods search for the optimum segmentation, which is characterized by minimum internal variance within the segments and maximum external variance between the segment means.

We analyse the accuracy of these homogenization methods and concentrate on the uncertainty in the position of the break. Due to unavoidable random noise in the difference time series, the segmentation method may find a shifted break position, which attains a higher external variance than the true one. Different lengths of potentially exchanged subsegments are considered; that one providing the largest external variance will be chosen as possibly erroneous optimum. We will show that the variances of shifted segmentations can be approximated by a Brownian motion with drift, where the signal‐to‐noise ratio (SNR) defines the drift size.

Available formulae for one‐sided and continuous Brownian motion with drift are expanded to two‐sided and discrete processes as they occur in praxis. The error probability increases strongly for SNRs lower than 1. Thus, when the internal variance is larger than the variance introduced by the breaks, the probability of finding the right break position is small.