bluuebunny/crossref_metadata_2025 huggingface dataset:
A Frontier Molecular Orbital Theory Approach to Understanding the Mayr Equation and to Quantifying Nucleophilicity and Electrophilicity by Using HOMO and LUMO Energies
Authors: Zhuo Lian‐Gang , Liao Wei , Yu Zhi‐Xiang
Published: November 2012

Obtaining the reactivities (such as nucleophilicities and electrophilicities) of molecules is of fundamental importance in chemistry. Mayr and co‐workers have developed the Mayr equation, which has been widely used to quantify nucleophilicity and electrophilicity. Herein we propose a theoretical understanding of the Mayr equation based on frontier molecular orbital (FMO) theory and the Eyring equation of the transition state theory, showing that the nucleophilicity of a molecule is related to the energy of this molecule’s highest occupied molecular orbital (HOMO), while the electrophilicity is related to the energy of the lowest unoccupied molecular orbital (LUMO) of the electrophile. Consequently, we propose a new approach by combining the FMO theory and the Mayr equation to predict the reactivities of new molecules. Ab initio calculation results support these linear relationships between LUMO energies and the Mayr electrophilicities (E) and the HOMO energies and the Mayr nucleophilicities (N) for sets of electrophiles and nucleophiles, respectively. For each set of nucleophiles or electrophiles, their different reactivities are mainly controlled by the electronic effects of the substituents. If other effects, such as sterics, affect reactivity for a set of electrophiles or nucleophiles, the linear relationships between HOMO levels and N values and LUMO levels and E values cannot be secured. The present approach through combining Mayr equation and the quantitative FMO theory suggests that the Mayr nucleophilicity or electrophilicity of a new molecule, which could be an intermediate of a reaction, unstable reactant, or a hypothetical reactive species, can be obtained through ab initio calculations of the frontier molecular orbital energies, and this will greatly expand the data sets of Mayr nucleophilicities and electrophilicities.
Performance of surface‐modified poly(etherimide) hollow‐fiber membranes in a membrane gasLiquid contacting process with response surface methodology
Authors: Bakeri G. , Rana D. , Ismail A. F. , Matsuura T. , Ghaee A.
Published: November 2012

A surface‐modifying macromolecule (SMM) was used to enhance the surface hydrophobicity of poly(ether imide) (PEI) hollow‐fiber membranes. The membranes were used for a membrane contactor to absorb CO2 with water. The effects of three hollow‐fiber fabrication parameters, that is, the PEI concentration in the casting dope, the SMM concentration in the casting dope, and the air gap, on the liquid entry pressure of water (LEPw) and the absorption rate (AR) of CO2 were investigated with response surface methodology. The model developed for LEPw satisfied the criterion for regression but had a low goodness of fit. The model predicted that LEPw would increase with PEI (weight percentage) but decrease with air gap. Furthermore, it showed a minimum value with a change in SMM (weight percentage). The model developed for the AR of CO2 had meaningful statistical parameters and was accurate; this indicated that interactions existed between the fabrication parameters on the AR of CO2. The performance of one of the fabricated membranes was compared with in‐house and commercially made hydrophobic membranes in terms of the AR of CO2 with distilled water as an absorbent on the lumen side and pure CO2 on the shell side. The comparison showed a superior CO2 flux in the surface‐modified membrane; for example, at a liquid velocity of 0.4 m/s, the surface‐modified membrane exhibited a 416% higher AR than the commercial membrane contactor (Celgard MiniModule 0.75X5) made of polypropylene. © 2012 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013
Preparation and characterization of ethyl menthane carboxamide microcapsules using PLA
Authors: Jincheng Wang , Xinyu Dong
Published: November 2012

Using polylactic acid (PLA) as wall and ethyl menthane carboxamide (EMC) as core substance, microencapsulated EMC (MEMC) agents were prepared based on solvent evaporation method. The structure and morphology of MEMC were analyzed by Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), and laser particle size analyzer. The MEMC agents had a mean diameter of about 10–20 μm. Moreover, the thermal properties of the MEMC agents were measured by differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). The melting point and thermal stability were improved due to the encapsulation of PLA resin. In addition, polyvinyl alcohol (PVA) and PLA concentration, stirring rate, and oil/water ratio were investigated for their effects on the particle size. As demonstrated by experimental results, the diameters of the microcapsules decreased with increasing stirring rate and oil/water ratio, and increased with increasing PLA concentration. © 2012 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013
Hydrolysis and thermal degradation of poly(L‐lactide) in the presence of talc and modified talc
Authors: Jo Mi‐Yeong , Ryu Yeon Jong , Ko Jun Hee , Yoon Jin‐San
Published: November 2012

Talc and talc modified with trimethoxy(octadecyl)silane (O‐talc) were melt compounded with poly (L‐lactide) (PLA). The crystallization behavior, tensile properties, and impact strength of the PLA composites were examined before and after the incorporation of talc and O‐talc. The molecular weight of PLA in the PLA composites was measured as a function of the hydrolysis time and temperature. The effect of talc and O‐talc on the thermal stability of PLA was examined and quantified by the activation energy of thermal degradation and the integral procedural decomposition temperature value determined from the corresponding thermo‐gravimetric analysis weight loss profiles. © 2012 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013
The effect of the mixed external donors on the sequence length distribution of polypropylene
Authors: Chang Hefei , Ren Shitong , Dang Xiaofei , Zhang Liaoyun , Li Huayi , Hu Youliang
Published: November 2012

The effects of different mixed external donors on the crystallization behavior and sequence length distribution of polypropylene prepared by MgCl2‐supported TiCl4 Ziegler–Natta catalyst were studied through successive self‐nucleation and annealing (SSA) technique. The SSA results show that the crystallization ability and the relative contents of long isotactic sequence length gradually increase with the increase of the relative component of Donor‐1 (cyclohexylmethyldimethoxysilane, dicyclohexyl(dimethoxy)silane, and dipiperidinedimethoxysilane) in the different mixed external donors when the ratio of the mixed external donors/Ti (Si/Ti) is unchanged. The thickness distribution of lamellar also becomes broader, indicating the sequence length distribution of polypropylene gets broader. The crystallization ability and the relative contents of long isotactic sequence length of polypropylene prepared by the mixed cyclohexylmethyldimethoxysilane and n‐propyltriethoxysilane (CN) external donors are lowest. However, the effect of the mixed dicyclohexyl(dimethoxy)silane and n‐propyltriethoxysilane (HN) and the mixed dipiperidinedimethoxysilane and n‐propyltriethoxysilane (PyN) external donors on the crystallization ability and sequence length of polypropylene are more significantly. Especially, the relative content of long isotactic sequence length increases sharply from 0.2 to 27.5% in the polypropylene chain of sample prepared by the mixed PyN external donors when the proportion of Donor 1 is running up to 90%. © 2012 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013
Enhancement of mechanical and tribological properties in ring‐opening metathesis polymerization functionalized molybdenum disulfide/polydicyclopentadiene nanocomposites
Authors: Peng Shuge , Niu Yongping , Fan Xinjie
Published: November 2012

This study focuses on the possibility of improving performance properties of polydicyclopentadiene (PDCPD) nanocomposites for engineering applications using nanoparticles. In this article, molybdenum disulfide/polydicyclopentadiene (MoS2/PDCPD) nanocomposites have been prepared by in situ ring‐opening metathesis polymerization using reaction injecting molding (RIM) process. To enhance the interfacial adhesion between the fillers and PDCPD matrix, the surface modified MoS2 nanoparticles hybridized with dialkyldithiophosphate (PyDDP) were successfully prepared by in situ surface grafting method. The effect of low MoS2 loadings (<3 wt %) on the mechanical and tribological behaviors of PDCPD was evaluated. The results indicated that the friction coefficient of the MoS2/PDCPD nanocomposites was obviously decreased and the wear resistance of nanocomposites was greatly improved by the addition of PyDDP‐hybridized MoS2 nanoparticles; meanwhile, the mechanical properties were also enhanced. The MoS2/PDCPD nanocomposites filled with 1 wt % PyDDP‐hybridized MoS2 exhibited the best mechanical and anti‐wear properties. The friction coefficient was shown to decrease by more than 40% compared to pure PDCPD by incorporating just 1 wt % hybridized MoS2 nanoparticles, and modest increase in modulus and strength was also observed. The reinforcing and wear‐resistant mechanisms of MoS2/PDCPD nanocomposites were investigated and discussed by scanning electron microscopy. The well interfacial compatibility between the particle/matrix interfaces played an important role for the improved mechanical and tribological properties of MoS2/PDCPD nanocomposites in very low MoS2 loadings. © 2012 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013
Exploring the structural requirements of collagen‐binding peptides
Authors: Abd‐Elgaliel Wael R. , Tung Ching‐Hsuan
Published: November 2012

Collagen synthesis and tissue remodeling are involved in many diseases; therefore, collagen‐specific binding agents have been developed to study collagen changes in various tissues. Based on a recently reported collagen binding peptide, which contains unnatural biphenylalanine (Bip) amino acid residue, constructs with various structure variations were synthesized to explore the contributions of unnatural Bip residue, conformational restrain, and amino acid sequence in collagen recognition. Their binding efficiency to collagens was evaluated in vitro using pure collagens. The results indicate that the C‐terminal unnatural Bip residue, rather than the peptide sequence or conformational restrain, dominated the collagen I binding. Subsequent tissue binding study showed that the selected peptide did not offer preferential selectivity over collagen I in tissue, suggesting that a simple in vitro binding assay cannot adequately model the complex biological environment. © 2012 Wiley Periodicals, Inc. Biopolymers (Pept Sci) 100: 167–173, 2013.
Transgenic quail as a model for research in the avian nervous system: A comparative study of the auditory brainstem
Authors: Seidl Armin H. , Sanchez Jason Tait , Schecterson Leslayann , Tabor Kathryn M. , Wang Yuan , Kashima Daniel T. , Poynter Greg , Huss David , Fraser Scott E. , Lansford Rusty , Rubel Edwin W.
Published: November 2012

Research performed on transgenic animals has led to numerous advances in biological research. However, using traditional retroviral methods to generate transgenic avian research models has proved problematic. As a result, experiments aimed at genetic manipulations on birds have remained difficult for this popular research tool. Recently, lentiviral methods have allowed the production of transgenic birds, including a transgenic Japanese quail (Coturnix coturnix japonica) line showing neuronal specificity and stable expression of enhanced green fluorescent protein (eGFP) across generations (termed here GFP quail). To test whether the GFP quail may serve as a viable alternative to the popular chicken model system, with the additional benefit of genetic manipulation, we compared the development, organization, structure, and function of a specific neuronal circuit in chicken (Gallus gallus domesticus) with that of the GFP quail. This study focuses on a well‐defined avian brain region, the principal nuclei of the sound localization circuit in the auditory brainstem, nucleus magnocellularis (NM), and nucleus laminaris (NL). Our results demonstrate that structural and functional properties of NM and NL neurons in the GFP quail, as well as their dynamic properties in response to changes in the environment, are nearly identical to those in chickens. These similarities demonstrate that the GFP quail, as well as other transgenic quail lines, can serve as an attractive avian model system, with the advantage of being able to build on the wealth of information already available from the chicken. J. Comp. Neurol.5–23, 2013. © 2012 Wiley Periodicals, Inc.
Editorial
Authors: Remick Carolyn , Hunt James , Javid Harold
Published: November 2012

Scientific discovery is increasingly driven by the collection, analysis, and comprehension of digital data. Collaborations between domain scientists and computer scientists can accelerate both the investigation and applications processes. The Microsoft eScience Workshop is a recognized venue for showcasing such collaborations and serves as a forum for exchanging both domain and computational researches. This editorial provides an overview of the papers that resulted from selected research collaboration presented at the 2010 Microsoft eScience workshop. Copyright © 2012 John Wiley & Sons, Ltd.
Metal‐Free Benzodithiophene‐Containing Organic Dyes for Dye‐Sensitized Solar Cells
Authors: Longhi Elena , Bossi Alberto , Di Carlo Gabriele , Maiorana Stefano , De Angelis Filippo , Salvatori Paolo , Petrozza Annamaria , Binda Maddalena , Roiati Vittoria , Mussini Patrizia Romana , Baldoli Clara , Licandro Emanuela
Published: November 2012

Two new metal‐free organic dyes, CR29 and CR52, with high extinction coefficients in the visible spectral region between 400–650 nm, have been synthesized. The donor–acceptor structure of the dyes feature benzodithiophene moieties BDT1 and BDT as rigid π‐conjugated spacers, which have so far been very little studied for dye‐sensitized solar cell (DSSC) applications. DFT/TDDFT calculations have been employed to guide the design of the chromophores as well as to shed light on their electronic and optical properties. Photophysical and electrochemical characterization studies have been carried out to gather information on the charge transfer processes occurring at the dye–semiconductor interfaces. Under standard AM 1.5 conditions, DSSC sensitized with CR29 showed good conversion efficiencies: 5.14 % in the liquid electrolyte cell setup and 2.47 % in the solid‐state DSSC.
SAR analysis and bioactive potentials of freshwater and terrestrial cyanobacterial compounds: a review
Authors: Nagarajan M. , Maruthanayagam V. , Sundararaman M.
Published: November 2012

Freshwater and terrestrial cyanobacteria resemble the marine forms in producing divergent chemicals such as linear, cyclic and azole containing peptides, alkaloids, cyclophanes, terpenes, lactones, etc. These metabolites have wider biomedical potentials in targeting proteases, cancers, parasites, pathogens and other cyanobacteria and algae (allelopathy). Among the various families of non‐marine cyanobacterial peptides reported, many of them are acting as serine protease inhibitors. While the micropeptin family has a preference for chymotrypsin inhibition rather than other serine proteases, the aeruginosin family targets trypsin and thrombin. In addition, cyanobacterial compounds such as scytonemide A, lyngbyazothrins C and D and cylindrocyclophanes were found to inhibit 20S proteosome. Apart from proteases, metabolites blocking the other targets of cancer pathways may exhibit cytotoxic effect. Colon and rectum, breast, lung and prostate are the worst affecting cancers in humans and are deduced to be inhibited by both peptidic and non‐peptidic compounds. Moreover, the growth of infections causing parasites such as Plasmodium, Leishmania and Trypanosoma are well controlled by peptides: aerucyclamides A‐D, tychonamides and alkaloids: nostocarboline and calothrixins. Likewise, varieties of cyanobacterial compounds tend to inhibit serious infectious disease causing bacterial, fungal and viral agents. Interestingly, portoamides, spiroidesin, nostocyclamide and kasumigamide are the allelopathic peptides determined to suppress the growth of toxic cyanobacteria and nuisance algae. Thus cyanobacterial compounds have a broad bioactive spectrum; the analysis of SAR studies will not only assist to find out the mode of action but also reveal bioactive key components. Thereby, developing the drugs bearing these bioactive skeletons to treat various illnesses is wide open. Copyright © 2012 John Wiley & Sons, Ltd.
B2 bradykinin receptor antagonists: adsorption mechanism on electrochemically roughened Ag substrate
Authors: Proniewicz Edyta , Skołuba Dominika , Kudelski Andrzej , Sobolewski Dariusz , Prahl Adam , Kim Younkyoo , Proniewicz Leonard M.
Published: November 2012

In this paper, the surface‐enhanced Raman scattering (SERS) spectra of the potent B2 bradykinin receptor antagonists, [D‐Arg0,Hyp3,Thi5,8,L‐Pip7]BK, Aaa[D‐Arg0,Hyp3,Thi5,8,L‐Pip7]BK, [D‐Arg0,Hyp3,Thi5,D‐Phe7,L‐Pip8]BK, and Aaa[D‐Arg0,Hyp3,Thi5,D‐Phe7,L‐Pip8]BK, were measured when immobilized onto a highly specific electrochemically roughened SERS‐active Ag substrate characterized by the formation of a 50 – 150 nm Ag islands on its surface. The observed SERS bands corresponding to different vibrational modes of the molecule, attached to or near Ag, and the variations in these bands resulting from competitive interactions of the functional groups of the peptides with the SERS‐active Ag surfaces and reorientation occurring over time of adsorption were analyzed in this study. Copyright © 2012 John Wiley & Sons, Ltd.
Facile Synthesis of Well‐Defined Telechelic Alkyne‐Terminated Polystyrene in Polar Media Using ATRP With Mixed Fe/Cu Transition Metal Catalyst
Authors: Rocha Nuno , Mendonça Patrícia V. , Mendes Joana P. , Simões Pedro N. , Popov Anatoliy V. , Guliashvili Tamaz , Serra Arménio C. , Coelho Jorge F. J.
Published: November 2012

The synthesis of polystyrene (PS) by atom transfer radical polymerization using the Fe(0)/CuBr2 catalytic system in dimethylformamide is reported. The effects of temperature, ligand, initiator structure, and monomer to solvent ratio on the polymerization kinetics are evaluated. PS with high molecular weight, low polydispersity, and telechelic structure are achieved and successfully used for further reinitiation or the copper(I)‐catalyzed Huisgen 1,3‐dipolar cycloaddition click reaction between alkyne‐ and azide‐terminated PS. For the first time, suitable styrene polymerization rates are achieved using this cost‐effective and environmentally attractive catalytic system. This method can be very useful in macromolecular engineering to afford PS‐based materials with well‐controlled structure.
Tensile testing of “Quenching and Partitioning” microstructures with contact‐free strain measurement
Authors: Nikolei N. , Rieger T. , Bleck W. , Schenuit E.
Published: November 2012

Das “Quenching and Partitioning” (“Q&P”)‐Konzept hat sich als ein vielversprechender Ansatz zur Realisierung der dritten Generation der Advanced High Strength Steels etabliert. Bei diesem Konzept wird ein Gefüge aus Restaustenit in einer Matrix aus angelassenem Martensit eingestellt. Die Idee ist, dass der Martensit die Festigkeit erhöht und der Restaustenit auf Grund des TRIP‐Effekts weiterhin gute Dehnungseigenschaften gewährleistet. In dieser Arbeit werden die mechanischen Eigenschaften nach der “Quenching und Partitioning”‐Behandlung von einem Nickel und Silizium legierten TRIP‐Stahl untersucht. Es werden Wärmebehandlungen durchgeführt und die mechanischen Kennwerte in Zugversuchen mit berührungsloser Dehnungsmessung ermittelt. Um den TRIP‐Effekt nachzuweisen, werden zusätzlich Zugversuche bei einer definierten plastischen Verformung unterbrochen und der verbleibende Restaustenitanteil im Bereich der Versuchslänge magnetisch ermittelt. Zudem werden die mechanischen Eigenschaften des “Quenching und Partitioning”‐Gefüges mit einem vollständig martensitischen Referenzgefüge und Literaturdaten verglichen. Die untersuchten “Quenching und Partitioning”‐Gefüge zeigen Festigkeiten von 1300 MPa bei Bruchdehnungen in der Größenordnung von über 10 %. Im Vergleich zum Abschreckmartensit werden niedrigere Festigkeiten und höhere Dehnungen erreicht. Die magnetische Restaustenitmessung als Funktion der plastischen Dehnung weist dabei eine Beteiligung des TRIP‐Effekts nach. Vergleichbare Legierungen aus der Literatur weisen ähnliche Kombinationen von Zugfestigkeit und Bruchdehnung auf. Die vorgestellte Methodik aus Glühung und Zugversuchen mit berührungsloser Dehnungsmessung mit dem Laser‐Speckle‐Verfahren hat sich für die Untersuchung anspruchsvoller Wärmebehandlungsverfahren mit kleinen Probengeometrien bewährt.
Effect of heat treatment on microstructure and property of Fe‐Cr‐B alloy
Authors: Zhang H. , Fu H. , Jiang Y. , Yu Z. , Guo H. , Lei Y. , Zhou R. , Cen Q.
Published: November 2012

In this article, the effect of heat treatment in different quenching temperature on microstructure and hardness of Fe‐Cr‐B alloy was studied, by contrast with boron‐free Fe‐Cr alloy. The results indicated that microstructure of boron‐free Fe‐Cr alloy consisted of the martensite and a few (Cr, Fe)7C3 type carbide. The microstructures had no obvious change with the increase of quenching temperature, but its hardness increased from 51.5 HRC to 60.8 HRC. When boron element was added into the Fe‐Cr alloy, the netlike eutectic structure began to break and spheroidizing after quenching, in which the borocarbide turned into spherical groups and network Fe2B phase was broken. Moreover, the portion of martensite increased, and the amount of secondary carbide decreased, and the size of secondary carbide began to largen after quenching. When the quenching temperature reached 1100°C, secondary carbide particles dissolved in the matrix wholly. The hardness of Fe‐Cr‐B alloy increased with the increase of quenching temperature below 1050°C. The hardness of sample containing 2.0% B and quenching at 1050°C reached 66.7 HRC. The hardness of Fe‐Cr‐B alloy had no obvious change when quenching temperature continued to increase. After tempered at 200°C, the microstructure of Fe‐Cr‐B alloy had no significant change and its hardness had slight decrease. The hardness of sample containing 2.0% B tempered at 200°C reached 63.9 HRC.
Modeling the shape of flat deposits during spray forming using a scanning gas atomizer
Authors: Cui C. , Schulz A. , Uhlenwinkel V.
Published: November 2012

A three‐dimensional shape model, tracing the coordinates of the moving surface of a growing flat deposit spray‐formed using a scanning gas atomizer, has been developed in this study. Mass flux distributions in the spray cones generated by the scanning atomizer under a typical spray forming condition have been revealed for the shape modeling. Geometrical evolution of flat deposits in spray forming has been investigated based on analysis of the scanning mechanism of the atomizer. The influence of processing conditions on the shape and dimensions of flat deposits have been simulated and discussed. Finally, the shape modeling has been validated by experimental investigations.
A Unified Framework for the Prioritization of Organ Transplant Patients: Analytic Hierarchy Process, Sensitivity and Multifactor Robustness Study
Authors: Lin Carol S. , Harris Shannon L.
Published: November 2012

Fair and equitable allocation of donor organs in the USA is a daunting yet necessary task, which can mean the difference between life and death for patients on transplant waiting lists. This paper proposes a multi‐criterion decision‐making model using the analytic hierarchy process to allow for an allocation decision to be made on the basis of urgency, efficiency, benefit and equity. These four perspectives and objectives can be broken down into both quantitative and qualitative measures, which can be easily combined and weighted through group consensus. The proposed model overcomes the limitations of a single type of system, integrates the views of many organ allocation philosophies, improves the decision maker's ability to collaborate, helps justify the decision and reaches the optimal result. In addition, the proposed profile matrix allows decision makers to graphically trade off criteria against each other and to clearly articulate the decision rationale. Our computational study suggests that the proposed model not only satisfactorily serves the objectives of many constituents, but also remains noticeably robust under various criteria‐weight‐change scenarios. It improves stakeholder confidence in the organ allocation procedure, maximizes the usefulness of the organ and enhances welfare to society. Copyright © 2012 John Wiley & Sons, Ltd.
Early radial digital neuropathy of the thumb due to flexor pollicis longus tendinitis: Value of ultrasound in an uncommon mild neuropathy
Authors: Yalcin Elif , Akyuz Mufit , Onder Burcu
Published: November 2012

Introduction

A 50‐year‐old man developed intermittent paresthesia of the outer portion of the right thumb. Paresthesia increased with thumb abduction and flexion. The remainder of the physical examination was normal.

Methods

Routine motor and sensory examinations of the median and ulnar nerves were within normal ranges.

Results

Ultrasonographic studies revealed that a tenosynovitis of the flexor pollicis longus of the right thumb was compressing the radial digital nerve of the thumb.

Conclusions

Ultrasonographic evaluation was used in conjunction with nerve conduction studies to diagnose digital neuropathy. Ultrasound is a beneficial, complementary tool to electrodiagnostic studies, especially for uncommon focal neuropathies. Muscle Nerve 47: 772–775, 2013
Phenolic Profiling of Portuguese Propolis by LC–MS Spectrometry: Uncommon Propolis Rich in Flavonoid Glycosides
Authors: Falcão Soraia I. , Vale Nuno , Gomes Paula , Domingues Maria R. M. , Freire Cristina , Cardoso Susana M. , Vilas‐Boas Miguel
Published: November 2012

Introduction

Propolis is a chemically complex resinous substance collected by honeybees (Apis mellifera) from tree buds, comprising plant exudates, secreted substances from bee metabolism, pollen and waxes. Its chemical composition depends strongly on the plant sources available around the beehive, which have a direct impact in the quality and bioactivity of the propolis. Being as Portugal is a country of botanical diversity, the phenolic characterisation of propolis from the different regions is a priority.

Objective

Extensive characterisation of the phenolic composition of Portuguese propolis from different continental regions and islands.

Method

Forty propolis ethanolic extracts were analysed extensively by liquid chromatography with diode‐array detection coupled to electrospray ionisation tandem mass spectrometry (LC–DAD–ESI–MSn).

Results

Seventy‐six polyphenols were detected in the samples and two groups of propolis were established: the common temperate propolis, which contained the typical poplar phenolic compounds such as flavonoids and their methylated/esterified forms, phenylpropanoid acids and their esters, and an uncommon propolis type with an unusual composition in quercetin and kaempferol glycosides – some of them never described in propolis.

Conclusion

The method allowed the establishment of the phenolic profile of Portuguese propolis from different geographical locations, and the possibility to use some phenolic compounds, such as kaempferol‐dimethylether, as geographical markers. Data suggest that other botanical species in addition to poplar trees can be important sources of resins for Portuguese propolis. Copyright © 2012 John Wiley & Sons, Ltd.
A Colourful University Life? Transnational Higher Education and the Spatial Dimensions of Institutional Social Capital in Hong Kong
Authors: Waters Johanna , Leung Maggi
Published: November 2012

Transnational higher education represents a lesser‐known aspect of the international education industry. In relation to the UK, transnational education is a booming business. British qualifications are offered in 217 countries outside the UK, representing in excess of 388,000 students in total. These students are fascinating precisely because they are acquiring an ‘international education’ in situ, raising a number of pertinent questions relating to the ‘capital’ young people are developing. How valuable is a British degree delivered entirely overseas? What does it actually represent – both conceptually, in terms of students' (im)mobilities, and in relation to individuals' embodied experiences of transnational higher education? This paper draws on the findings of a qualitative project examining British degree programmes offered in Hong Kong and their implications for young people locally. We focus on the experiences of students and graduates and the intentions of a number of UK ‘providers’ (representing different British higher education institutions). We explore the social capital accessible to students undertaking transnational educational programmes and focus in particular upon the spatial availability of ‘institutional social capital’. We argue that the ability of young people to cultivate social capital in the context of transnational higher education is circumscribed in various ways, with implications for subsequent employment opportunities and social mobility. Our paper furthermore responds to recent calls to spatialise the conversion of social capital. Copyright © 2012 John Wiley & Sons, Ltd.
Atomic scale modeling of edge a‐type dislocations in InN
Authors: Kioseoglou Joseph
Published: November 2012

The atomic geometry and electronic structure of a‐edge threading dislocations (TDs) in InN are investigated by combined interatomic potential and ab initio calculations. Initially isolated dislocation cores are included in supercells of ∼30 000 atoms and relaxed by Tersoff potentials and the III‐species environment approach. The relaxed core structures are then extracted in the form of cluster‐hybrids and total energy as well as electronic structure calculations are performed under both the generalized gradient approximation (GGA) and the local density approximation implementing modified pseudopotentials (MPP‐LDA). Interatomic potentials identify the 5/7‐atom core as the most energetically stable while ab initio calculations under both implemented approaches point to the 8‐atom ring as most energetically stable. In the present contribution, results of density functional theory (DFT) calculations on a novel dislocation core model comprising a 10‐atom ring are presented and compared to those of commonly considered cores. It is found that all considered dislocation cores modify the band structure of InN in a distinct manner due to their distinct structural features. Especially the 4‐ and 5/7‐atom cores are identified as sources of higher electron concentrations in InN, enhancing its n‐type conductivity.
Sustainability in Development Cooperation: Preliminary Findings on the Carbon Footprint of Development Aid Organizations
Authors: Almeida Joana , Verbist Bruno , Achten Wouter M. J. , Maertens Miet , Muys Bart
Published: November 2012

This study assesses for the first time the environmental sustainability of development organizations involved in North–South cooperation by quantifying the carbon footprint as a widely adopted indicator. Our objectives are to (1) analyze the criteria that should be met for correct greenhouse gas accounting of development organizations, (2) gain insight into the emission profile for a limited sample of development organizations from Belgium and Germany, and (3) set forward policy options for more sustainable practices. Carbon footprints are calculated following official guidelines and include available data from different institutions. Mobility of staff is on average responsible for 60% of total annual emissions of the organizations under study, mainly owing to air travel (40%), followed by electricity and heating of offices. These emissions may be partially offset through voluntary carbon market transactions or within development projects themselves. Either approach requires the adoption of high standards of carbon accounting by development organizations. Copyright © 2012 John Wiley & Sons, Ltd and ERP Environment.
Bayesian nonparametric variable selection as an exploratory tool for discovering differentially expressed genes
Authors: Shahbaba Babak , Johnson Wesley O.
Published: November 2012

High‐throughput scientific studies involving no clear a priori hypothesis are common. For example, a large‐scale genomic study of a disease may examine thousands of genes without hypothesizing that any specific gene is responsible for the disease. In these studies, the objective is to explore a large number of possible factors (e.g., genes) in order to identify a small number that will be considered in follow‐up studies that tend to be more thorough and on smaller scales. A simple, hierarchical, linear regression model with random coefficients is assumed for case–control data that correspond to each gene. The specific model used will be seen to be related to a standard Bayesian variable selection model. Relatively large regression coefficients correspond to potential differences in responses for cases versus controls and thus to genes that might ‘matter’. For large‐scale studies, and using a Dirichlet process mixture model for the regression coefficients, we are able to find clusters of regression effects of genes with increasing potential effect or ‘relevance’, in relation to the outcome of interest. One cluster will always correspond to genes whose coefficients are in a neighborhood that is relatively close to zero and will be deemed least relevant. Other clusters will correspond to increasing magnitudes of the random/latent regression coefficients. Using simulated data, we demonstrate that our approach could be quite effective in finding relevant genes compared with several alternative methods. We apply our model to two large‐scale studies. The first study involves transcriptome analysis of infection by human cytomegalovirus. The second study's objective is to identify differentially expressed genes between two types of leukemia. Copyright © 2012 John Wiley & Sons, Ltd.
Teachers' Perceptions of Task‐Based Language Teaching in English Classrooms in Taiwanese Junior High Schools
Authors: Lin Tzu‐Bin , Wu Chiao‐Wen
Published: November 2012

After introducing new curriculum guidelines during education reform, the Taiwan Ministry of Education has taken the lead in integrating a communicative approach into the new English language curriculum. Task‐based language teaching (TBLT) is viewed as a realisation of communicative language teaching and is one of the most popular English language teaching (ELT) methods. In East Asian contexts, only a limited number of case studies focus on TBLT. This article applies a mixed methods approach to explore junior high school English teachers’ perceptions of TBLT in central Taiwan. The themes to be addressed are teachers’ perceptions and understandings of TBLT and teachers’ views on the feasibility of TBLT in the Taiwanese context, with a special focus on ELT in junior high schools. The main source of data is a survey with 136 respondents from 30 junior high schools in four counties in central Taiwan. The article also draws on supplementary qualitative data from semistructured interviews with four teachers who have various teaching experiences. The article offers insights into the feasibility of TBLT in Taiwan and enriches the current literature on TBLT—or in a broader sense the communicative approach—in the East Asian context.
Rethinking Process‐Based Writing Approaches in theESOLMiddle School Classroom: Developing Linguistic Fluency via Hybrid Pedagogies
Authors: Pandey Anjali
Published: November 2012

This article calls for a rethinking of pure process‐based approaches in the teaching of second language writers in the middle school classroom. The author provides evidence from a detailed case study of the writing of a Korean middle school student in a U.S. school setting to make a case for rethinking the efficacy of classic process‐based approaches to English to speakers of other languages (ESOL) writing pedagogy at this level. Proposing hybrid and recursive rather than linear and static methodologies based on second language acquisition research, the author calls for the use of modeling strategies to provide students with the necessary practice, conscious awareness, and eventual automaticity of key formal and functional details of writing. The article presents a visual model of writing instruction, blending graphic and acronym‐based strategies to enhance rhetorical fluency and grammatical accuracy in multifarious expository genres within and across grade levels in middle school. The article provides evidence from middle schoolESOLwriting to propose an action‐based model of bottom‐up teaching. The author argues that a detailed inductive focus on morphology, grammar, paragraph‐based discourse structure, and thesis statement construction, taught via individualized workshop configurations in theESOLwriting classroom, will in fact trigger advanced writing fluency in newcomer populations.
Organizing Blogs in anESL/EFLClass Using the Rule of Thirds
Authors: Warhol Tamara , Fields Katherine Rhodes
Published: November 2012

Given the ubiquity of digital media in daily life, students must not only read and write traditional texts, but also those associated with information and multimedia technologies, such as blogs, photo and video sharing sites, social networks, and wikis. In response to the need to teach students to read and write these non‐traditional texts, guides and exemplary case studies have been published to help teachers navigate new pedagogical practices. One requisite pedagogical practice in teaching students to compose non‐traditional texts is teaching them new forms of organization. This article discusses the importance of compositional organization not only in traditional texts and photographs, but also in blogs. It then addresses howESL/EFLinstructors may help students improve the organization of online compositions by teaching students to use the rule of thirds to frame their digital photographs and incorporate these photographs into blogs.
Teacher Language Background, Codeswitching, and English‐Only Instruction: Does Age Make a Difference to Learners' Attitudes?
Authors: Macaro Ernesto , Lee Jang Ho
Published: November 2012

Using research data on teacher codeswitching in South Korea, this article investigates the attitudes and perceptions among Korean learners of English as a foreign language towards English‐only instruction as opposed to instruction which contains some switching to the learners' first language. The study was in part operationalized by exploring learners' attitudes towards teachers who were native or nonnative speakers of English. The authors explored a number of variables to these attitudes and perceptions, of which the most important was the students' age. From a total sample of 798 students, 311 were adults at university and 487 were children in the last year of primary school. The researchers collected data via questionnaire and, using a subsample, via interviews. Findings suggest that although both groups of learners had no clear preferences for either teacher type, neither group favoured the total exclusion of the first language from the classroom interaction. Adults were more likely to be comfortable with English‐only instruction, possibly due to their greater experience in language learning, although the possibility that their acceptance was also due to higher proficiency cannot be excluded.
Men's health: a tale of two nations
Authors: Begg Alan
Published: November 2012

Alan Begg investigates health disparities between different regions of the UK, looking in particular at the north–south divide in men's health. Copyright © 2012 John Wiley & Sons
Constrained SUSY seesaws with a 125 GeV Higgs
Authors: Hirsch M. , Joaquim F. R. , Vicente A.
Published: November 2012

Abstract

Motivated by the ATLAS and CMS discovery of a Higgs-like boson with a mass around 125 GeV, and by the need of explaining neutrino masses, we analyse the three canonical SUSY versions of the seesaw mechanism (type I, II and III) with CMSSM boundary conditions. In type II and III cases, SUSY particles are lighter than in the CMSSM (or the constrained type I seesaw), for the same set of input parameters at the universality scale. Thus, to explain
$ {m_{{{h^0}}}}\simeq 125 $
GeV at low energies, one is forced into regions of parameter space with very large values of m
0, M
1/2 or A
0. We compare the squark and gluino masses allowed by the ATLAS and CMS ranges for
$ {m_{{{h^{{^0}}}}}} $
(extracted from the 2011-2012 data), and discuss the possibility of distinguishing seesaw models in view of future results on SUSY searches. In particular, we briefly comment on the discovery potential of LHC upgrades, for squark/gluino mass ranges required by present Higgs mass constraints. A discrimination between different seesaw models cannot rely on the Higgs mass data alone, therefore we also take into account the MEG upper limit on BR(μ → eγ) and show that, in some cases, this may help to restrict the SUSY parameter space, as well as to set complementary limits on the seesaw scale.
Activation of alpha‐smooth muscle actin‐positive myofibroblast‐like cells after chemotherapy with gemcitabine in a rat orthotopic pancreatic cancer model
Authors: Yamao Jun , Toyokawa Hideyoshi , Kim Songtae , Yamaki So , Satoi Sohei , Yanagimoto Hiroaki , Yamamoto Tomohisa , Hirooka Satoshi , Matsui Yoichi , Kwon A‐Hon
Published: November 2012

Background

To investigate the behavior of activated pancreatic stellate cells (PSCs), which express alpha‐smooth muscle actin (α‐SMA), and pancreatic cancer cells in vivo, we examined the expression of α‐SMA‐positive myofibroblast‐like cells in pancreatic cancer tissue after treatment with gemcitabine (GEM) using a Lewis orthotopic rat pancreatic cancer model.

Methods

The effect of GEM on DSL‐6A/C1 cell proliferation was determined by cell counting method. The orthotopic pancreatic cancer animals were prepared with DSL‐6A/C cells, and treated with GEM (100 mg/kg/weekly, for 3 weeks). At the end of treatment, α‐SMA expression, fibrosis, transforming growth factor (TGF)‐β1 and vascular endothelial growth factor (VEGF) were evaluated by histopathological and Western blot analyses.

Results

DSL‐6A/C1 cell proliferation was significantly reduced by co‐culturing with GEM in vitro. Survival time of pancreatic cancer animals (59.6 ± 13.4 days) was significantly improved by treatment with GEM (89.6 ± 21.8 days;p = 0.0005). Alpha‐SMA expression in pancreatic cancer tissue was significantly reduced after treatment with GEM (p = 0.03), however, there was no significant difference in Sirius‐red expression. Expression of VEGF was significantly reduced by GEM treatment, but the expression of TGF‐β1 was not inhibited.

Conclusion

GEM may suppress not only the tumor cell proliferation but also suppress PSCs activation through VEGF reduction.
Looking Beyond the Euro Crisis: The Challenges of Nationalism, the Welfare State and Technology
Authors: Haikio Martti
Published: November 2012

In order to stimulate economic growth and strengthen European integration, the EU must show greater respect for national sovereignty, reform the welfare state and invest in technology. The Nordic countries have set an example that could work for the rest of the EU.
A model to explain at‐risk/problem gambling among male and female adolescents: Gender similarities and differences
Authors: Donati Maria Anna , Chiesi Francesca , Primi Caterina
Published: November 2012

This study aimed at testing a model in which cognitive, dispositional, and social factors were integrated into a single perspective as predictors of gambling behavior. We also aimed at providing further evidence of gender differences related to adolescent gambling. Participants were 994 Italian adolescents (64% Males; Mean age = 16.57). Hierarchical logistic regressions attested the predictive power of the considered factors on at‐risk/problem gambling ‐ measured by administering the South Oaks Gambling Screen‐Revised for Adolescents (SOGS‐RA) ‐ in both boys and girls. Sensation seeking and superstitious thinking were consistent predictors across gender, while probabilistic reasoning ability, the perception of the economic profitability of gambling, and peer gambling behavior were found to be predictors only among male adolescents, whereas parental gambling behavior had a predictive power in female adolescents. Findings are discussed referring to practical implications for preventive efforts toward adolescents' gambling problems.
Nursing students' perceptions toward the nursing profession from clinical practicum in a baccalaureate nursing program—A qualitative study
Authors: Tseng Hui‐Chen , Wang Hsiu‐Hung , Weng Wei‐Che
Published: November 2012

The purpose of this study was to explore senior nursing students' perceptions toward the nursing profession and their experiences in clinical practicum in Taiwan. This study used semistructured interview guides and unstructured face‐to‐face dialogue with the participants based on a qualitative method. A purposive sample with a snowball method from a baccalaureate nursing program in Southern Taiwan was used to recruit participants. A total of 30 senior nursing students participated in this study. Data were collected from February to May 2011. The interviews were transcribed verbatim, and data were analyzed based on the phenomenological approach of qualitative methodology. Data were categorized into three major themes: in‐depth recognition of nursing, recognition of the meaning and value of life, and decision conflicts for being a nurse. The findings of the study not only help nursing educators further understand the educational effects of clinical practicum, but also provide information for managers of medical organizations to recruit and train newly graduated nurses.
The Lomonosov Ridge as a natural extension of the Eurasian continental margin into the Arctic Basin
Authors: Poselov V.A. , Avetisov G.P. , Butsenko V.V. , Zholondz S.M. , Kaminsky V.D. , Pavlov S.P.
Published: November 2012

The inregrated geological and geophysical studies carried out in recent years in the Lomonosov Ridge and at its junction with the Eurasian shelf revealed evidence for thinned (reduced) crust in the ridge (20–25 km) and its relationship with shelf structures. We compared the parameters of deep seismic cross-sections of the shelf and Lomonosov Ridge, thus proving the existence of continental crust in the latter. Also, we analyzed the deep structure of the junction between the Lomonosov Ridge and the shelf and established a genetic geologic relationship, with no evidence that the Lomonosov Ridge moved as a terrane with respect to the shelf. In addition, seismological studies independently confirm the relationship between the Lomonosov Ridge and the adjacent shelf.

The Lomonosov Ridge is a continental-crust block of a craton. The craton was reworked during the Caledonian tectonomagmatic activity with the formation of a Precambrian–Caledonian seismically unsegmented basement (upper crust) and an epi-Caledonian platform cover. Afterward, the block subsided to bathyal depths in the Late Alpine. This block and the adjacent areas of the Eastern Arctic shelf developed in the platform regime till the Late Mesozoic.