bluuebunny/crossref_metadata_2025 huggingface dataset:
Alcohol and drug use and other high-risk behaviors among youth in the slums of Kampala, Uganda: Perceptions and contexts obtained through focus groups
Authors: Swahn Monica , Haberlen Melissa , Palmier Jane B.
Published: December 2014

Swahn, M., Haberlen, M., & Palmier, J. (2014). Alcohol and drug use and other high-risk behaviors among youth in the slums of Kampala, Uganda: Perceptions and contexts obtained through focus groups. The International Journal Of Alcohol And Drug Research, 3(4), 289-295. doi:http://dx.doi.org/10.7895/ijadr.v3i4.171Aims: The study seeks to determine perceptions of and contexts for risky behaviors among street and slum youth in Kampala, through focus groups.Design: Three 90-minute focus groups were conducted in Luganda (local language) to ask specific questions on alcohol and drug-related behaviors among youth in the slums.Setting: Uganda Youth Development Link drop-in centers for disadvantaged youth in Kampala.Participants: 31 participants, aged 14 to 24 years.Measures: The focus group probes were based on the World Health Organization report “Working With Street Children: Module 5: Determining the Needs and Problems of Street Children—A Training Package on Substance Use, Sexual and Reproductive Health Including HIV/AIDS and STDs.”Findings: Results show that these youth engage in a number of risky behaviors, including alcohol and drug abuse, fighting and weapon carrying, delinquency, prostitution and unsafe sexual behaviors.Conclusions: The study provides context for risky behaviors in this population, which can provide useful insights and help to guide resource allocation and intervention planning for services that seek to reduce adverse health outcomes in this vulnerable population, particularly those related to alcohol and drug use.
Monitoring the stability of risk factors for adolescent cannabis use
Authors: Hallgren Mats , Kallmén Håkan
Published: December 2014

Hallgren, M., & Kallmén, H. (2014). Monitoring the stability of risk factors for adolescent cannabis use. The International Journal Of Alcohol And Drug Research, 3(4), 235-243. doi:http://dx.doi.org/10.7895/ijadr.v3i4.184Aims: To identify factors associated with repeated cannabis use among Swedish adolescents aged 15 and 17 years and assess the stability of these factors over time, in the context of rising cannabis use and recent socio-economic changes. Design: Two cross-sectional surveys completed in 2006 and 2012 are compared.Setting: Secondary schools in Stockholm, Sweden.Participants: 15- and 17-year-old secondary-school students surveyed in 2006 (n = 11,895) and 2012 (n = 13,004). Response rates were 76% and 77%, respectively.Measures: Bivariate and multivariate analyses of the Stockholm Student Survey identified associations between repeated cannabis use (2 to 4 times or more) and 20 presumed risk factors.Findings: Despite socio-economic changes in Sweden and recent increases in cannabis use, the factors associated with repeated cannabis use among adolescents have remained stable in recent years. Four key variables were identified in both survey years: having drug-using friends, cigarette smoking, early alcohol debut, and high drug availability.Conclusions: Multi-component prevention strategies that ameliorate peer influences on drug taking and reduce cigarette smoking are highly recommended. Preventing the initiation of alcohol consumption at an early age and reducing drug availability may also reduce the risk of cannabis use.
Is early alcohol consumption related to adult alcohol use? Longitudinal analyses based on the Northern Sweden Cohort
Authors: Delfabbro Paul , Hammarström Anne
Published: December 2014

Delfabbro, P., & Hammarström, A. (2014). Is early alcohol consumption related to adult alcohol use? Longitudinal analyses based on the Northern Sweden Cohort. The International Journal Of Alcohol And Drug Research, 3(4), 227-233. doi:http://dx.doi.org/10.7895/ijadr.v3i4.187Aim: This paper examines whether early alcohol consumption is related to adult alcohol consumption and self-reported health.Design: 1,083 people were tracked from the age of 16 years in 1981 to the age of 43, with 94% of the living respondents (n = 1,010) retained in the study.Setting: Data were drawn from the Northern Swedish Cohort study.Measures: Alcohol consumption at age 16 was the independent measure. Dependent measures included the level of alcohol consumption at age 43 years and self-reported health status. Socio-demographic control variables included parental relationship status, occupational status and employment, as well as the respondent’s smoking status and level of social alienation.Findings: Women who drank alcohol at greater amounts at age 16 were more likely to drink at a higher level at age 43. No relationship was found between male consumption at age 16 and health or alcohol consumption at age 43. Alcohol consumption at age 16 was not significantly related to self-reported health at age 43 after other background variables had been controlled.Conclusions: The results partially support previous research indicating an association between adolescent and longer-term adult drinking and health, but also highlight the importance of examining the role of socio-demographic factors as influential confounding variables.
NMR Analysis of Base‐Pair Opening Kinetics in DNA
Authors: Szulik Marta W. , Voehler Markus , Stone Michael P.
Published: December 2014

Base pairing in nucleic acids plays a crucial role in their structure and function. Differences in the base‐pair opening and closing kinetics of individual double‐stranded DNA sequences or between chemically modified base pairs provide insight into the recognition of these base pairs by DNA processing enzymes. This unit describes how to quantify the kinetics for localized base pairs by observing changes in the imino proton signals by nuclear magnetic resonance spectroscopy. The determination of all relevant parameters using state‐of‐the art techniques and NMR instrumentation, including cryoprobes, is discussed. © 2014 by John Wiley & Sons, Inc.
Detection of Hydrogen Bonds in Dynamic Regions of RNA by NMR Spectroscopy
Authors: Dallmann Andre , Sattler Michael
Published: December 2014

NMR spectroscopy is a powerful tool to study the structure and dynamics of nucleic acids. In this unit, we give an overview of important experiments to determine and characterize hydrogen bonds in nucleic acids and provide detailed instructions for setting up recently developed sensitivity‐improved NMR pulse sequences, i.e., BEST selective long‐range HNN‐COSY, selective BEST‐TROSY‐HNNCOSY, and Py H(CC)NN‐COSY. The strengths and limitations of these experiments will also be discussed. Detailed step‐by‐step protocols are provided for each of the three pulse sequences, with special emphasis on adjusting and setting of delays and shaped pulses. The NMR pulse sequences with example datasets and optimized, nonstandard adiabatic pulse shapes used for selective 15N magnetization transfer are provided. These experiments enable NMR analysis of a broad variety of RNAs ranging from low to high molecular weight and complexity. © 2014 by John Wiley & Sons, Inc.
Using EMBL‐EBI Services via Web Interface and Programmatically via Web Services
Authors: Lopez Rodrigo , Cowley Andrew , Li Weizhong , McWilliam Hamish
Published: December 2014

The European Bioinformatics Institute (EMBL‐EBI) provides access to a wide range of databases and analysis tools that are of key importance in bioinformatics. As well as providing Web interfaces to these resources, Web Services are available using SOAP and REST protocols that enable programmatic access to our resources and allow their integration into other applications and analytical workflows. This unit describes the various options available to a typical researcher or bioinformatician who wishes to use our resources via Web interface or programmatically via a range of programming languages. © 2014 by John Wiley & Sons, Inc.
Clustal Omega
Authors: Sievers Fabian , Higgins Desmond G.
Published: December 2014

Clustal Omega is a package for making multiple sequence alignments of amino acid or nucleotide sequences, quickly and accurately. It is a complete upgrade and rewrite of earlier Clustal programs. This unit describes how to run Clustal Omega interactively from a command line, although it can also be run online from several sites. The unit describes a basic protocol for taking a set of unaligned sequences and producing a full alignment. There are also protocols for using an external HMM or iteration to help improve an alignment. © 2014 by John Wiley & Sons, Inc.
Detection of small‐scale folds at a solar wind reconnection exhaust
Authors: Mistry R. , Eastwood J. P. , Hietala H.
Published: December 2014

Observations of reconnection in the solar wind over the last few years appear to indicate that the majority of large‐scale reconnecting current sheets are roughly planar, and that reconnection itself is quasi‐steady. Most studies of solar wind exhausts have used spacecraft with large separations and relatively low time cadence ion measurements. Here we present multipoint Cluster observations of a reconnection exhaust and the associated current sheet at ACE and Wind, enabling it to be studied on multiple length scales and at high time resolution. While analysis shows that on large scales the current sheet is planar, detailed measurements using the four closely spaced Cluster spacecraft show that the trailing edge of the reconnection jet is nonplanar with folds orthogonal to the reconnection plane, with length scales of approximately 230 ion inertial lengths. Our findings thus suggest that while solar wind current sheets undergoing reconnection may be planar on large scales, they may also exhibit complex smaller‐scale structure. Such structure is difficult to observe and has rarely been detected because exhausts are rapidly convected past the spacecraft in a single cut; there is therefore a limited set of spacecraft trajectories through the exhaust which would allow the nonplanar features to be intercepted. We consider how such nonplanar reconnection current sheets can form and the processes which may have generated the 3‐D structure that was observed.
Diel cycle of lake‐air CO2 flux from a shallow lake and the impact of waterside convection on the transfer velocity
Authors: Podgrajsek E. , Sahlée E. , Rutgersson A.
Published: December 2014

Two years of eddy covariance measurements of lake carbon dioxide (CO2) fluxes reveal a diel cycle with higher fluxes during night. Measurements of partial pressure in the air (pCO2a) and in the water (pCO2w), during 4 months, show that the high nighttime fluxes are not explained by changes in the difference between pCO2a and pCO2w. Analyzing the transfer velocity (k600,meas), which is a measure of the efficiency of the gas transfer, with respect to wind speed, shows that variations in wind speed do not explain the diel cycle. During nighttime, when the fluxes are high, the wind is normally low. Thus, a solely wind‐based parameterization of the transfer velocity (ku,CC) results in large errors compared to k600,meas, especially for wind speeds lower than 6 m s−1. The mean absolute percentage error between ku,CC and k600,meas is 79%. By subtracting ku,CC from k600,meas, we investigate how waterside convection influence k600,meas. Our results show that the difference (k600,meas − ku,CC) increases with increasing waterside convection. Separating the transfer velocity parameterization in two parts, one depending on the wind speed and one depending on waterside convection, the mean absolute percentage error compared to the measurements reduces to 22%. The results in this paper show that the high nighttime CO2 fluxes can, to a large extent, be explained by waterside convection and that a transfer velocity parameterization based on both wind speed and waterside convection better fits the measurements compared to a parameterization based solely on wind speed.
Evidence of a change in water chemistry in Canada's subarctic associated with enhanced winter streamflow
Authors: Spence C. , Kokelj S. V. , Kokelj S. A. , McCluskie M. , Hedstrom N.
Published: December 2014

Enhanced winter streamflow is a characteristic of a nival/pluvial regime that has emerged in parts of the subarctic Canadian Shield because of increasingly common late summer rains. This phenomenon is part of a widespread trend toward higher winter streamflow in watersheds across the circumpolar north. There may be implications for biogeochemical systems as streamflow regimes undergo these types of changes associated with climate warming. Streamflow and geochemical fluxes were observed over 2 years with different winter flow conditions in a subarctic Canadian Shield catchment. Results show that higher wintertime loads of carbon and solutes associated with enhanced winter streamflow were in association with an expansion of contributing areas to run off over what would have existed during typical winter recession. Furthermore, the wet fall conditions that lead to enhanced winter streamflow require water tables close to the topographic surface in highly conductive organic soil layers, which is a similar to the condition during the spring melt. Fall rainfall‐runoff leaves an ample volume of water in the lakes that are ubiquitous in this landscape. This water maintains winter streamflow during a time when it traditionally would have ceased. A slowing of biological activity under lake ice increases net mineralization and nitrification rates. This convergence of nitrogen cycling and winter streamflow produced a disproportionate flux of inorganic nitrogen from the study catchment. A conceptual model of how enhanced winter streamflow changes water chemistry in a lake‐dominated shield landscape is proposed and may be used as a benchmark to guide hypotheses of process interactions, change in other landscapes, or across scales.
Metal‐Organic Frameworks: Coordination Polymer Nanoparticles and Macrostructures
Authors: Reboul Julien , Kitagawa Susumu
Published: December 2014

Organization at the atomic scale of metal cations by connecting them with organic linkers leads to the construction of hybrid crystalline microporous frameworks, also known as porous coordination polymers (PCPs). Owing to their high loading capacity and their chemical composition versatility, PCPs are attractive for applications such as gas storage, catalysis, sensing, proton conduction, or adsorptive separation. Beside the conventional research that aims at designing PCP crystal characteristics at the molecular scale, recent research efforts focused on the modulation of the crystal size and shape and on the synthesis of polycrystalline macrostructures with well‐defined morphologies. Indeed, a major challenge today is to develop strategies that allow the integration of PCPs into readily applicable devices, which fully exploit the attributes of these promising materials. The highly reactive surfaces of PCPs (composed of partially coordinated organic ligands or uncoordinated metal centers), the possible modulation of the coordination equilibrium at the crystal surface, and the large number of PCP frameworks available (implying a large range of possible synthesis conditions) make their synthesis compatible with a wide range of physicochemical and mechanical microfabrication methods. Syntheses of uniform PCP nanocrystal suspensions, crystal assemblies in the form of membranes, pattern surfaces, hollow spheres, coatings, or multiporous architectures were therefore reported. This chapter aims to review the most promising strategies reported so far to synthesize PCP nanocrystals and PCP‐based macrostructures and composites.
Metal‐Organic Frameworks: Aluminium‐Based Frameworks
Authors: Stock Norbert
Published: December 2014

Metal–organic frameworks (MOFs) containing light and environmentally benign metals have attracted researchers from industry and academia since they are believed to be well suited for applications especially in the field of gas storage. Aluminum is one element of choice for the synthesis of such MOFs since it leads to stable and highly porous materials that can also be formed in water as a green solvent. The stability and the small number of Al‐based MOFs stems from the same factors: the high charge (+3) of the metal ion and the small ionic radius. Hence dissolution of these MOFs in water is often kinetically hindered and at the same time they are almost exclusively obtained as microcrystalline products. The latter fact has impeded the structure elucidation and the determination of structure property relationships and hence the intensive investigation of this class of compounds. Recent progress in the synthesis and characterization of Al‐MOFs has demonstrated that certain structural motifs are predominantly observed, depending on the substitution pattern of the polycarboxylate based linker molecules and the solvent employed. Here, the synthesis and structural trends in Al‐based MOFs are summarized.
Metal‐Organic Frameworks: Mechanochemical Synthesis Strategies
Authors: Friščić Tomislav
Published: December 2014

This contribution provides a systematic overview of the recent developments in the use of mechanochemical synthesis, i.e., chemical synthesis aided or induced by mechanical force, for making one‐, two‐, and three‐dimensional coordination polymers, including porous metal–organic frameworks (MOFs). The overview is organized into sections that address experimental mechanochemical techniques, types of chemical reactions utilized for the mechanosynthesis of coordination polymers, structural characterization of mechanochemical products, as well as synthetic strategies and reaction mechanisms underlying the mechanochemical assembly of porous MOF structures. The presented examples reveal mechanochemistry as a reliable and natural way for conducting the synthesis of porous MOFs in a rapid, clean, and efficient fashion, as well as a new tool to screen for new MOF topologies and probe the fundamental structure templating factors controlling their assembly.
Wafer Scale Synthesis and High Resolution Structural Characterization of Atomically Thin MoS2 Layers
Authors: George Aaron S. , Mutlu Zafer , Ionescu Robert , Wu Ryan J. , Jeong Jong S. , Bay Hamed H. , Chai Yu , Mkhoyan K. Andre , Ozkan Mihrimah , Ozkan Cengiz S.
Published: December 2014

Synthesis of atomically thin MoS2 layers and its derivatives with large‐area uniformity is an essential step to exploit the advanced properties of MoS2 for their possible applications in electronic and optoelectronic devices. In this work, a facile method is reported for the continuous synthesis of atomically thin MoS2 layers at wafer scale through thermolysis of a spin coated‐ammonium tetrathiomolybdate film. The thickness and surface morphology of the sheets are characterized by atomic force microscopy. The optical properties are studied by UV–Visible absorption, Raman and photoluminescence spectroscopies. The compositional analysis of the layers is done by X‐ray photo­emission spectroscopy. The atomic structure and morphology of the grains in the polycrystalline MoS2 atomic layers are examined by high‐angle annular dark‐field scanning transmission electron microscopy. The electron mobilities of the sheets are evaluated using back‐gate field‐effect transistor configuration. The results indicate that this facile method is a promising approach to synthesize MoS2 thin films at the wafer scale and can also be applied to synthesis of WS2 and hybrid MoS2‐WS2 thin layers.
Facile Synthesis of Hematite Quantum‐Dot/Functionalized Graphene‐Sheet Composites as Advanced Anode Materials for Asymmetric Supercapacitors
Authors: Xia Hui , Hong Caiyun , Li Bo , Zhao Bin , Lin Zixia , Zheng Mingbo , Savilov Serguei V. , Aldoshin Serguei M.
Published: December 2014

For building high‐energy density asymmetric supercapacitors, developing anode materials with large specific capacitance remains a great challenge. Although Fe2O3 has been considered as a promising anode material for asymmetric supercapacitors, the specific capacitance of the Fe2O3‐based anodes is still low and cannot match that of cathodes in the full cells. In this work, a composite material with well dispersed Fe2O3 quantum dots (QDs, ≈2 nm) decorated on functionalized graphene‐sheets (FGS) is prepared by a facile and scalable method. The Fe2O3 QDs/FGS composites exhibit a large specific capacitance up to 347 F g−1 in 1 m Na2SO4 between –1 and 0 V versus Ag/AgCl. An asymmetric supercapacitor operating at 2 V is fabricated using Fe2O3/FGS as anode and MnO2/FGS as cathode in 1 m Na2SO4 aqueous electrolyte. The Fe2O3/FGS//MnO2/FGS asymmetric supercapacitor shows a high energy density of 50.7 Wh kg−1 at a power density of 100 W kg−1 as well as excellent cycling stability and power capability. The facile synthesis method and superior supercapacitive performance of the Fe2O3 QDs/FGS composites make them promising as anode materials for high‐performance asymmetric supercapacitors.
Exploring the Potential of Nucleic Acid Bases in Organic Light Emitting Diodes
Authors: Gomez Eliot F. , Venkatraman Vishak , Grote James G. , Steckl Andrew J.
Published: December 2014

Naturally occurring biomolecules have increasingly found applications in organic electronics as a low cost, performance‐enhancing, environmentally safe alternative. Previous devices, which incorporated DNA in organic light emitting diodes (OLEDs), resulted in significant improvements in performance. In this work, nucleobases (NBs), constituents of DNA and RNA polymers, are investigated for integration into OLEDs. NB small molecules form excellent thin films by low‐temperature evaporation, enabling seamless integration into vacuum deposited OLED fabrication. Thin film properties of adenine (A), guanine (G), cytosine (C), thymine (T), and uracil (U) are investigated. Next, their incorporation as electron‐blocking (EBL) and hole‐blocking layers (HBL) in phosphorescent OLEDs is explored. NBs affect OLED performance through charge transport control, following their electron affinity trend: G < A < C < T < U. G and A have lower electron affinity (1.8–2.2 eV), blocking electrons but allowing hole transport. C, T, and U have higher electron affinities (2.6–3.0 eV), transporting electrons and blocking hole transport. A‐EBL‐based OLEDs achieve current and external quantum efficiencies of 52 cd A−1 and 14.3%, a ca. 50% performance increase over the baseline device with conventional EBL. The combination of enhanced performance, wide diversity of material properties, simplicity of use, and reduced cost indicate the promise of nucleobases for future OLED development.
Design Meets Nature: Tetrahedrite Solar Absorbers
Authors: Heo Jaeseok , Ravichandran Ram , Reidy Christopher F. , Tate Janet , Wager John F. , Keszler Douglas A.
Published: December 2014

Computational inverse design and consequent experimental results allow for the identification of new tetrahedrite‐mineral compositions as promising absorber candidates in drift‐based thin‐film solar cells. In device simulations, cell efficiencies above 20% are modeled with absorber layers as thin as 250 nm. These new compositions thus open opportunities for realization of a new class of high‐efficiency thin‐film solar cell.
Shelf Life Degradation of Bulk Heterojunction Solar Cells: Intrinsic Evolution of Charge Transfer Complex
Authors: Guerrero Antonio , Heidari Hamed , Ripolles Teresa S. , Kovalenko Alexander , Pfannmöller Martin , Bals Sara , Kauffmann Louis‐Dominique , Bisquert Juan , Garcia‐Belmonte Germà
Published: December 2014

Achievement of long‐term stability of organic photovoltaics is currently one of the major topics for this technology to reach maturity. Most of the techniques used to reveal degradation pathways are destructive and/or do not allow for real‐time measurements in operating devices. Here, three different, nondestructive techniques able to provide real‐time information, namely, film absorbance, capacitance–voltage (C–V), and impedance spectroscopy (IS), are combined over a period of 1 year using non‐accelerated intrinsic degradation conditions. It is discerned between chemical modifications in the active layer, physical processes taking place in the bulk of the blend from those at the active layer/contact interfaces. In particular, it is observed that during the ageing experiment, the main source for device performance degradation is the formation of donor–acceptor charge‐transfer complex (–) that acts as an exciton quencher. Generation of these radical species diminishes photocurrent and reduces open‐circuit voltage by the creation of electronic defect states. Conclusions extracted from absorption, C–V, and IS measurements will be further supported by a range of other techniques such as atomic force microscopy, X‐ray diffraction, and dark‐field imaging of scanning transmission electron microscopy on ultrathin cross‐sections.
Fluidized‐bed CVD of unstacked double‐layer templated graphene and its application in supercapacitors
Authors: Tian Gui‐Li , Zhang Qiang , Zhao Meng‐Qiang , Wang Hao‐Fan , Chen Cheng‐Meng , Wei Fei
Published: December 2014

Graphene is inclined to stack with each other that greatly hinders the full utilization of its intrinsic extraordinary properties. Introducing protuberant spacers is a straightforward strategy to avoid the stacking of graphene nanosheets, resulting in a novel unstacked double‐layer templated graphene (DTG) structure. Herein, a family of layered double hydroxides were used for the bulk chemical vapor deposition (CVD) of DTG in a fluidized‐bed reactor. A high specific surface area of 1554.2 m2 g−1 and a large pore volume of 1.70 cm3 g−1 were achieved. When used as the electrode material for supercapacitors, the DTG afforded a specific capacitance of 65.5 F g−1 at a sweep rate of 5.0 mV s−1 and a capacitance retention of 77% when the sweep rate was increased to 500 mV s−1. Therefore, the DTG obtained via fluidized bed CVD is a promising electrode material for supercapacitor applications. © 2014 American Institute of Chemical Engineers AIChE J, 61: 747–755, 2015
Multicomponent gas diffusion in nonuniform tubes
Authors: Veltzke Thomas , Kiewidt Lars , Thöming Jorg
Published: December 2014

In many technical processes gas, multicomponent diffusion takes place in confinements that are rarely uniform in direction of their long axis (e.g., catalysts pores). Here, we show that in conical tubes multicomponent diffusion is hindered. This effect increases with ratio of inlet to outlet cone radius Λ, indifferent of the orientation of the tube. Based on the Maxwell–Stefan equations, predictive analytical solution for ideal multicomponent diffusion in slightly tapered ducts is developed. In two‐bulb diffusion experiments on a uniform tube, the results of Duncan and Toor (1962) were reproduced. Comparison of model and experiment shows that the solution presented here provides a reliable quantitative prediction of the temporal change of H2, N2, and CO2‐concentration for both tube geometries, uniform and slightly conical. In the demonstrated case (Λ = 3.16), mass diffusion is 68% delayed. Thus, for gaseous diffusion in “real,” typically tapered pores the transport limitation is more serious than considered so far. © 2014 American Institute of Chemical Engineers AIChE J, 61: 1404–1412, 2015
Association between DRD2 (rs1799732 and rs1801028) and ANKK1 (rs1800497) polymorphisms and schizophrenia: A meta‐analysis
Authors: Yao Jun , Pan Yu‐qing , Ding Mei , Pang Hao , Wang Bao‐jie
Published: December 2014

The role of dopamine D2 receptor (DRD2) polymorphisms in schizophrenia remains controversial. We performed a meta‐analysis to determine whether DRD2 polymorphisms influence the risk of schizophrenia and examined the relationship between rs1799732, rs1801028, and rs1800rs028 an23381d rs1800497 genetic variants and the etiology of schizophrenia. Relevant case‐control studies were retrieved by database searches and selected according to established inclusion criteria. Odds ratios (ORs) and 95% confidence intervals (CIs) were calculated to evaluate the strength of the associations. Meta‐regression, subgroup analysis, sensitivity analysis, and cumulative meta‐analysis were performed. A total of 76 studies with 16096 cases and 18965 controls were included. Specifically, 24 studies with 6075 cases and 6643 controls involved rs1799732, 36 studies with 8043 cases and 10194 controls involved rs1801028 and 16 studies with 1978 cases and 2128 controls involved rs1800497. No significant associations were observed between rs1799732 and rs1800rs732 and rs1800497 and schizophrenia. The rs1801028 locus was associated with schizophrenia, with a pooled OR of 1.221 (95% CI = 1.037–1.438, P = 0.016). This meta‐analysis indicates that the rs1801028 locus may be associated with schizophrenia. These data provide possible references for future case‐control studies related to schizophrenia. © 2014 Wiley Periodicals, Inc.
Automatisierte Detektion von Proteinphosphorylierung durch Nanoliter‐Enzymreaktionen auf Mikroarrays
Authors: Küster Simon K. , Pabst Martin , Zenobi Renato , Dittrich Petra S.
Published: December 2014

Wir beschreiben eine neue, empfindliche Screening‐Methode zur Detektion von Proteinphosphorylierung in komplexen Proteinproben. Der proteolytische Verdau einer Probe wird zuerst mithilfe von nano‐Flüssigchromatographie (nano‐LC) aufgetrennt, das Eluat wird unmittelbar danach hochfrequent in Mikrotröpfchen kompartimentiert und schließlich auf eine Mikroarray‐MALDI‐Platte abgelegt. Nach Aufbringen eines Ölfilms werden pL‐Tröpfchen einer Phosphataselösung zu jeder zweiten Fraktion auf der Mikroarray‐Platte hinzugefügt. Dies induziert in den Fraktionen eine Verschiebung der Massen der phosphorylierten Peptide um n×−80 Da und führt somit zu einem Zickzackprofil des chromatographischen Peaks. Zur Identifizierung wird nun die MALDI‐MS‐Spur der gesamten Trennung von einem Matlab‐Skript auf diese induzierten chromatographischen Peakmuster hin untersucht, wodurch auch Phosphopeptide von sehr geringer Intensität erkannt werden. Die hier vorgestellte Screening‐Methode verwendet keine Peaklisten und es bedarf auch keiner umfangreichen MS/MS‐Experimente.
Total Synthesis of Albicidin: A Lead Structure from Xanthomonas albilineans for Potent Antibacterial Gyrase Inhibitors
Authors: Kretz Julian , Kerwat Dennis , Schubert Vivien , Grätz Stefan , Pesic Alexander , Semsary Siamak , Cociancich Stéphane , Royer Monique , Süssmuth Roderich D.
Published: December 2014

The peptide antibiotic albicidin, which is synthesized by the plant pathogenic bacterium Xanthomonas albilineans, displays remarkable antibacterial activity against various Gram‐positive and Gram‐negative microorganisms. The low amounts of albicidin obtainable from the producing organism or through heterologous expression are limiting factors in providing sufficient material for bioactivity profiling and structure–activity studies. Therefore, we developed a convergent total synthesis route toward albicidin. The unexpectedly difficult formation of amide bonds between the aromatic amino acids was achieved through a triphosgene‐mediated coupling strategy. The herein presented synthesis of albicidin confirms the previously determined chemical structure and underlines the extraordinary antibacterial activity of this compound. The synthetic protocol will provide multigram amounts of albicidin for further profiling of its drug properties.
The fabrication of full color P(St‐MAA) photonic crystal structure on polyester fabrics by vertical deposition self‐assembly
Authors: Liu Guojin , Zhou Lan , Wu Yujiang , Wang Cuicui , Fan Qinguo , Shao Jianzhong
Published: December 2014

Three‐dimensional (3D) photonic crystals with face‐centered cubic structure were successfully fabricated on soft polyester fabrics via vertical deposition self‐assembly, with monodisperse P(St‐MAA) microspheres prepared by soap‐free emulsion copolymerization. The resultant polyester fabrics exhibited bright structural colors through the well‐ordered photonic crystal microstructure without any chemical dyes and pigments. The tunable structural colors across the whole visible region confirmed by reflectance spectra could be adjusted by controlling the diameters of the microspheres and viewing angles, and this was consistent with the law of the Bragg diffraction. The resultant polyester fabrics also presented some favorable properties including double‐sided coloration effect, clear fabric texture, and soft fabric handle. The structural coloration by vertical deposition self‐assembly of P(St‐MAA) photonic crystals may provide a new strategy for textile coloration without using chemical colorants, and have a potential to reduce the pollution in the current textile dyeing and printing processes. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 41750.
Flammability and thermal behaviors of polypropylene composite containing modified kaolinite
Authors: Tang Wufei , Gu Xiaoyu , Jiang Yu , Zhao Jingran , Ma Wenjun , Jiang Peng , Zhang Sheng
Published: December 2014

Exfoliatied kaolinite (E‐Kaol) was prepared by intercalating DMSO and KAc into kaolinite successively followed by irradiation under ultrasonic. The modified kaolinite was then introduced to polypropylene (PP) by melt blending in order to improve the fire performance of the composite. The flammability and thermal behaviors of PP composite were analyzed by limit oxygen index, vertical burning test, cone calorimeter test, and thermal‐gravimetric analysis, respectively. The microstructure of PP composites was characterized by Fourier‐transformed infrared spectroscopy, X‐ray diffraction, and scanning electron microscope (SEM). It was demonstrated the presence of only 1 phr E‐Kaol could improve the LOI values of PP/MCAPP/ATH composite from 26.4 to 28.0, and decrease the peak value of heat release rate and smoke production rate of the PP/MCAPP/ATH by 60.7% and 39.1%, respectively, compared with that of PP sample. Morphology analysis by SEM showed that E‐Kaol in PP composite was beneficial to forming rigid and compact char structure. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 41761.
Polypropylene membranes with the double sensitivity effect
Authors: Wolska Joanna , Smolinska‐Kempisty Katarzyna , Bryjak Marek , Kujawski Wojciech
Published: December 2014

This article describes the modification of polypropylene membranes leading to the preparation of thermo‐ and pH‐sensitive structures. Poly(N‐isopropylacrylamide), poly(acrylic acid), or copolymer poly(N‐isopropylacrylamide‐co‐acrylic acid) was grafted on to the membranes' surface activated by dielectric barrier discharge plasma. The properties of the modified membranes were evaluated by means of infrared spectroscopy and contact angle measurements. The effect of modification was monitored by the determination of water flux at two temperatures (20 and 45°C) and at various pH values (2.8–8.0). The membrane separation properties were investigated for the solutions of o‐bromocresol purple. It was found that membranes grafted with copolymer were responsive to both stimuli and they could be used for separation purpose. The separation performance was tailored by alteration of pH and temperature of feed solution. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 41763.
Layer double hydroxide and sodium montmorillonite multilayer coatings for the flammability reduction of flexible polyurethane foams
Authors: Yang You‐Hao , Li Yu‐Chin , Shields John , Davis Rick D.
Published: December 2014

Flexible polyurethane foam (PUF) is coated by layer‐by‐layer (LbL) assembly using branched polyethyleneimine (BPEI), poly(acrylic acid) (PAA), and two different charged nanoparticles, such as sodium montmorillonite (Na‐MMT) and layered double hydroxide (LDH). Three different deposition strategies, that is, bilayer, trilayer, and quadlayer, exhibit different coating growth, morphology, and flammability properties. Changing the nanosheet from LDH to MMT dramatically alter the coating mass for the same number of layers. A five bilayer PAA/BPEI+LDH coating reduced the peak heat release rate by 40% and the average heat release rate by 70%, which is two times more effective than commercial fire retardants (FRs) and other LbL‐FR coatings for PUF. MMT and LDH mixed multilayers resulted in effective flame‐retardant coatings with less coating mass by manipulating the deposition strategy. This study manifests the flexibility of LbL to fine‐tune flammability reduction by switching the coating weight gains, which is significant to accelerate the development of other LbL coating regardless of the intended applications. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 41767.
Properties of aligned poly(L‐lactic acid) electrospun fibers
Authors: Mao Bin , Geers Keifer , Hu Sophia , Mancera Marlet , Sandoval Myra , Port Joshua , Zhu Yazhe , Cebe Peggy
Published: December 2014

Poly(L‐lactic acid) (PLLA)‐aligned fibers with diameters in the nano‐ to micrometer size scale are successfully prepared using the electrospinning technique from two types of solutions, different material parameters and working conditions. The fiber quality is evaluated using scanning electron microscopy (SEM) to judge fiber diameter, diameter uniformity, orientation, and appearance of defects or beads. The smoothest fibers, most uniform in diameter and defect free, were found to be produced from 10% w/v chloroform/dimethylformamide solution using an accelerating voltage from 10–20 kV. Addition of 1.0% multiwalled carbon nanotubes (MWCNT) into the electrospinning solution decreases fiber diameter, improves diameter uniformity, and slightly increases molecular chain alignment. The fibers were cold crystallized at 120°C and compared with their as‐spun counterparts. The influences of the crystalline phase and/or MWCNT addition were examined using fiber shrinkage, temperature‐modulated calorimetry, X‐ray diffraction, and dynamic mechanical analysis. Crystallization increases the glass transition temperature, Tg, slightly, but decreases the overall fiber alignment through shrinkage‐induced buckling of the fibers when heated above Tg. MWCNT addition has little impact on Tg, but significantly increases the orientation of crystallites. MWCNT addition slightly reduces the dynamic modulus, whereas crystallization increases the modulus in both neat‐ and MWCNT‐containing fibers. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 41779.
Factors Influencing Corporate Environmental Disclosure
Authors: D'Amico Eugenio , Coluccia Daniela , Fontana Stefano , Solimene Silvia
Published: December 2014

In this paper, we have studied the factors that influence the environmental disclosures of Italian listed companies. We also aimed to verify the effects produced by the introduction of specific legislation (albeit of a voluntary nature) on environmental disclosures. The analysis has the advantage of including all of the informational documents produced by the company. The analysis shows an (excessively) low level of disclosure of environmental information by the companies examined. The econometric analysis then shows, contrary to our hypothesis and the results of previous analyses carried out in other countries, a negative and statistically significant relationship between environmental disclosures, the presences of minority shareholders and large auditors and the listing of the company, including in foreign markets. We lastly observed that the introduction of ad hoc legislation as purely voluntary only affects the contents of quantitative environmental disclosures, which are unsuitable for a highly industrialized developed country. Copyright © 2014 John Wiley & Sons, Ltd and ERP Environment
Real‐time model based process monitoring of enzymatic biodiesel production
Authors: Price Jason , Nordblad Mathias , Woodley John M. , Huusom Jakob K.
Published: December 2014

In this contribution we extend our modelling work on the enzymatic production of biodiesel where we demonstrate the application of a Continuous‐Discrete Extended Kalman Filter (a state estimator). The state estimator is used to correct for mismatch between the process data and the process model for Fed‐batch production of biodiesel. For the three process runs investigated, using a single tuning parameter, qx = 2 × 10−2 which represents the uncertainty in the process model, it was possible over the entire course of the reaction to reduce the overall mean and standard deviation of the error between the model and the process data for all of the five measured components (triglycerides, diglycerides, monoglycerides, fatty acid methyl esters, and free fatty acid). The most significant reduction for the three process runs, were for the monoglyceride and free fatty acid concentration. For those components, there was over a ten‐fold decrease in the overall mean error for the state estimator prediction compared with the predictions from the pure model simulations. It is also shown that the state estimator can be used as a tool for detection of outliers in the measurement data. For the enzymatic biodiesel process, given the infrequent and sometimes uncertain measurements obtained we see the use of the Continuous‐Discrete Extended Kalman Filter as a viable tool for real time process monitoring. © 2014 American Institute of Chemical Engineers Biotechnol. Prog., 31:585–595, 2015
Metabolic regulation of mesenchymal stem cell in expansion and therapeutic application
Authors: Liu Yijun , Ma Teng
Published: December 2014

Human mesenchymal or stromal cells (hMSCs) isolated from various adult tissues are primary candidates in cell therapy and tissue regeneration. Despite promising results in preclinical studies, robust therapeutic responses to MSC treatment have not been reproducibly demonstrated in clinical trials. In the translation of MSC‐based therapy to clinical application, studies of MSC metabolism have significant implication in optimizing bioprocessing conditions to obtain therapeutically competent hMSC population for clinical application. In addition, understanding the contribution of metabolic cues in directing hMSC fate also provides avenues to potentiate their therapeutic effects by modulating their metabolic properties. This review focuses on MSC metabolism and discusses their unique metabolic features in the context of common metabolic properties shared by stem cells. Recent advances in the fundamental understanding of MSC metabolic characteristics in relation to their in vivo origin and metabolic regulation during proliferation, lineage‐specific differentiation, and exposure to in vivo ischemic conditions are summarized. Metabolic strategies in directing MSC fate to enhance their therapeutic potential in tissue engineering and regenerative medicine are discussed. © 2014 American Institute of Chemical Engineers Biotechnol. Prog., 31:468–481, 2015
Potential Treatment Options for Hydraulic Fracturing Return Fluids: A Review
Authors: Saba Beenish
Published: December 2014

Return fluids (flowback and produce water) are one of the highest quantity by‐product in oil and gas industry. These fluids are treated in wastewater treatment plants, reused as part of hydrofracking fluids, and reinjected into the ground by injection wells. The treatment and management process effects the environment and surrounding ecosystem. In this review, the fate and impacts of hydrofracking fluids and return fluids along with different treatment options published in literature are summarized. The life cycle of hydraulic fracturing from shale resource to return fluids and their possible implications are discussed from an environmental point of view. Observed shift in microbial communities is reported. Physocochemical and biotechnological approaches practiced by several scientists suggest a possible treatment option under optimized conditions on the surface which could not only reduce the impact on the ecosystem but can also provide a huge quantity of reclaimed water.
Water‐Promoted Hydrogenation of Levulinic Acid to γ‐Valerolactone on Supported Ruthenium Catalyst
Authors: Tan Jingjing , Cui Jinglei , Deng Tiansheng , Cui Xiaojing , Ding Guoqiang , Zhu Yulei , Li Yongwang
Published: December 2014

A highly efficient and green process for the hydrogenation of biomass‐derived levulinic acid (LA) to γ‐valerolactone (GVL) has been developed. GVL was obtained in a yield of 99.9 mol % with a turnover frequency as high as 7676 h−1 in aqueous medium by using a Ru/TiO2 catalyst under mild reaction conditions (70 °C). The strong interaction between Ru and TiO2 facilitated both the dispersion of Ru nanoparticles and the stability of the catalyst. In addition, as solvent, water participated in the hydrogenation of LA, which was confirmed by an isotope‐ labeling experiment with D (D2O). Specifically, the H atom(s) in water took part in the hydrogenation of the CO group of LA, which promoted the catalytic activity and GVL yield remarkably.
Back Pressure Regulation of Slurry‐Forming Reactions in Continuous Flow
Authors: Deadman Benjamin J. , Browne Duncan L. , Baxendale Ian R. , Ley Steven V.
Published: December 2014

The handling of solid components in flow chemical processes is still a significant challenge. Current devices for regulating back pressure in laboratory‐scale flow chemistry experiments are vulnerable to blockage by solid particulates. A simple device is presented herein for generating back pressure in continuous flow processes that produce chemical slurries. The prototype was constructed from commercially available components and accommodated the use of superheated reaction conditions generated in an agitating cell reactor used to produce a suspended precipitate product.
Synergistic Approach to Elucidate the Incorporation of Magnesium Ions into Hydroxyapatite
Authors: Bertran Oscar , Valle Luis J. del , Revilla‐López Guillermo , Rivas Manuel , Chaves Gustavo , Casas Maria T. , Casanovas Jordi , Turon Pau , Puiggalí Jordi , Alemán Carlos
Published: December 2014

Although the content of Mg2+ in hard tissues is very low (typically ≤1.5 wt %), its incorporation into synthetic hydroxyapatite (HAp) particles and its role in the mineral’s properties are still subject of intensive debate. A combined experimental–computational approach is used to answer many of the open questions. Mg2+‐enriched HAp particles are prepared using different synthetic approaches and considering different concentrations of Mg2+ in the reaction medium. The composition, morphology and structure of the resulting particles are investigated using X‐ray photoelectron spectroscopy, energy dispersive X‐ray spectroscopy, scanning and transmission electron microscopies, FTIR, and wide‐angle X‐ray diffraction. After this scrutiny, the role of the Mg2+ in the first nucleation stages, before HAp formation, is investigated using atomistic molecular dynamics simulations. Saturated solutions are simulated with and without the presence of DNA, which has been recently used as a soft template in the biomineralization process. This synergistic investigation provides a complete picture of how Mg2+ ions affect the mineralization from the first stages onwards.
Distinguishing the Strength of Electronic Coupling for Mo2‐Containing Mixed‐Valence Compounds within the Class III Regime
Authors: Cheng Tao , Tan Ying Ning , Zhang Yu , Zhang Yu Yu , Meng Miao , Lei Hao , Chen Lu , Liu Chun Y.
Published: December 2014

Two, symmetrical, mixed‐valence (MV), complex cations—{[Mo2(DAniF)3]2(μ‐oxamidate)}+ (1+) and {Mo2(DAniF)3]2(μ‐dithiooxamidate)}+ (2+; DAniF=N,N′‐di(p‐anisyl)formamidinate)—are significantly differentiated in terms of electronic coupling between the two [Mo2] units. For 1+ the intervalence (IV) charge‐transfer band in the near‐IR spectrum is truncated in half on the low‐energy side as predicted for MV compounds at the Class II–III limit (2Hab/λ=1; for which Hab=electronic coupling matrix element and λ=reorganization energy). In contrast, the very strongly coupled analogue 2+, as indicated by 2Hab/λ=3.5 (> >1), exhibits a higher energy and more symmetrical IV band. As rare examples, this pair of MV species shows distinct optical behaviors for MV systems crossing the Class III region. Optical analysis and DFT calculations are carried out to elucidate the transformation from vibronic to electronic vertical transition.