bluuebunny/crossref_metadata_2025_split huggingface dataset:
The use of Quality Talk to increase critical analytical speaking and writing of students in three secondary schools
Authors: Davies Maree , Meissel Kane 
Published: September 2015

This study was carried out in three secondary schools of varying socioeconomic levels within the usual framework of tasks completed by students while studying towards a national assessment. The study examined the change in the nature of the interactions between students in group conversations, in the context of a film unit and a geography unit using Quality Talk. Quality Talk is an interventional approach promoting text comprehension via a critical‐reflective thinking approach. The study also sought to determine whether there was a positive intervention effect from the use of Quality Talk, on the students' ability to write from a critical analytical (CA) stance. Differences in the pre‐ and post‐treatment writing achievement of seven intervention and one comparison class were assessed. Analysis revealed a large intervention effect within the intervention classes with marked improvements in students' abilities to talk and write with aCAstance (d = 0.92). The change in behaviour for the students in the intervention classes appeared to be associated with their increased use of authentic questions, uptake questions and high‐level questions, which appeared to foster higher levels of dialogic spells, supporting the development of higher levels ofCAtalk and writing.
Interaction of human serum albumin with novel imidazole derivatives studied by spectroscopy and molecular docking
Authors: Yue Yuanyuan , Sun Yangyang , Dong Qiao , Liu Ren , Yan Xuyang , Zhang Yajie , Liu Jianming 
Published: September 2015

AbstractThis study was a detailed characterization of the interaction of a series of imidazole derivatives with a model transport protein, human serum albumin (HSA). Fluorescence and time‐resolved fluorescence results showed the existence of a static quenching mode for the HSA–imidazole derivative interaction. The binding constant at 296 K was in the order of 104 M–1, showing high affinity between the imidazole derivatives and HSA. A site marker competition study combined with molecular docking revealed that the imidazole derivatives bound to subdomain IIA of HSA (Sudlow's site I). Furthermore, the results of synchronous, 3D, Fourier transform infrared, circular dichroism and UV–vis spectroscopy demonstrated that the secondary structure of HSA was altered in the presence of the imidazole derivatives. The specific binding distance, r, between the donor and acceptor was obtained according to fluorescence resonance energy transfer. Copyright © 2015 John Wiley & Sons, Ltd.
Knowledge transfer of software tool development for functional requirements analysis
Authors: Cheng Po‐Hsun , Fu Jih‐Ming , Chen Li‐Wei 
Published: September 2015

ABSTRACTKnowledge transfer is a key function in software development. Software tool development is an important skills in the software engineering. However, generic teaching courses are hard to evaluate the integrated development skills from undergraduate students. This paper proposed a continuous collaboration model (CCM) and a view‐based semi‐automatic tool, OpenNeeds, develop and run as an Eclipse plug‐in to proceed the functional requirements' analysis. These selected methods and tools include programming languages, markup language, information exchange standards, modeling language, model‐view‐controller (MVC) software framework, virtual machine handling, interface development environment, version control platform, knowledge management, software documentation, and software unit tests. The MVC tool can simply manipulate several requirement‐related graphical components, such as mind view and use case view. The lateral thinking approach is adapted in grid view to assist in analyzing other potential requirements from the original ones. Subsequently, the source codes of this tool are opened and can be distributed via the Eclipse Public License from the OpenFoundry and Github repositories. There are three professors who come from two distinct colleges to share their learning experiences. Meanwhile, 26 and 27 college students attend this team in the first and second year, respectively. Professors can truly understand the fortes of the individual attendee through the attending performance and promote his/her merits in the future tasks. Further, their industrial practices and related outcomes might disclose that the proposed CCM is feasible and trustable in college environment, especially for the software development activities in the software engineering field. © 2015 Wiley Periodicals, Inc. Comput. Appl. Eng. Educ. 24:131–143, 2016; View this article online at wileyonlinelibrary.com/journal/cae; DOI 10.1002/cae.21679
Visible‐Light‐Responsive Carbon Dioxide Reduction System: Rhenium Complex Intercalated into a Zirconium Phosphate Layered Matrix
Authors: Wen Meicheng , Mori Kohsuke , Kuwahara Yasutaka , Yamashita Hiromi 
Published: September 2015

AbstractThe intercalation of CO2 reduction catalyst [Re(bpy)(CO)3Cl] (bpy=2,2′‐bipyridine) into a layered zirconium phosphate (Zr(HPO4)2⋅H2O, α‐ZrP) with an interlayer distance of 10.3 Å was performed. XRD, IR spectroscopy, and extended X‐ray absorption fine structure measurements provided strong evidence that the Re complexes were intercalated into the layered interspace without significant structural change. The visible‐light photoredox system for the catalytic conversion of CO2 was constructed by using Re/ZrP as catalyst, Rhodamine B as photosensitizer, and triethanolamine as a sacrificial reagent. The emission intensity of Rhodamine B near λ=580 nm decreased with increasing amount of intercalated Re complex, suggesting the occurrence of an electron transfer from Rhodamine B to the Re complex. Performing the reaction with isotopic 13CO2 demonstrated that the CO produced originated mostly from CO2. Furthermore, this CO2 reduction system showed remarkable durability and could be used repeatedly without significant loss in activity.
Advances in Pathway Engineering for Natural Product Biosynthesis
Authors: Pearsall Sarah M. , Rowley Christopher N. , Berry Alan 
Published: September 2015

AbstractBiocatalysts provide an efficient, inexpensive and environmentally friendly alternative to traditional organic synthesis, especially for compounds with complex stereochemistries. The past decade has seen a significant rise in the use of biocatalysts for the synthesis of compounds in an industrial setting; however, the incorporation of single enzymatically catalysed steps into organic synthesis schemes can be problematic. The emerging field of synthetic biology has sparked interest in the development of whole‐cell factories that can convert simple, common metabolites into complex, high‐value molecules with a range of applications such as pharmaceuticals and biofuels. This Review summarises conventional methods and recent advances in metabolic engineering of pathways in microorganisms for the synthesis of natural products.
Synthesis, Structure, and Reactivity of a Tetranuclear Cerium(IV) Oxo Cluster Supported by the Kläui Tripodal Ligand [Co(η5‐C5H5){P(O)(OEt)2}3]−
Authors: Wang Guo‐Cang , So Yat‐Ming , Wong Kang‐Long , Au‐Yeung Ka‐Chun , Sung Herman H.‐Y. , Williams Ian D. , Leung Wa‐Hung 
Published: September 2015

AbstractA tetranuclear CeIV oxo cluster compound containing the Kläui tripodal ligand [Co(η5‐C5H5){P(O)(OEt)2}3]− (LOEt−) has been synthesized and its reactions with H2O2, CO2, NO, and Brønsted acids have been studied. The treatment of [Ce(LOEt)(NO3)3] with Et4NOH in acetonitrile afforded the tetranuclear CeIV oxo cluster [Ce4(LOEt)4O7H2] (1) containing an adamantane‐like {Ce4(μ2‐O)6} core with a μ4‐oxo ligand at the center. The reaction of 1 with H2O2 resulted in the formation of the peroxo cluster [Ce4(LOEt)4(μ4‐O)(μ2‐O2)4(μ2‐OH)2] (2). The treatment of 1 with CO2 and NO led to isolation of [Ce(LOEt)2(CO3)] and [Ce(LOEt)(NO3)3], respectively. The protonation of 1 with HCl, ROH (R=2,4,6‐trichlorophenyl), and Ph3SiOH yielded [Ce(LOEt)Cl3] (3), [Ce(LOEt)(OR)3] (4), and [Ce(LOEt)(OSiPh3)3] (5), respectively. The chloride ligands in 3 are labile and can be abstracted by silver(I) salts. The treatment of 3 with AgOTs (OTs−=tosylate) and Ag2O afforded [Ce(LOEt)(OTs)3] (6) and 1, respectively. The electrochemistry of the Ce‐LOEt complexes has been studied by using cyclic voltammetry. The crystal structures of complexes 1–5 have been determined.
N‐Heterocyclic Carbene–Phosphinidene Complexes of the Coinage Metals
Authors: Doddi Adinarayana , Bockfeld Dirk , Nasr Alexandre , Bannenberg Thomas , Jones Peter G. , Tamm Matthias 
Published: September 2015

AbstractCoinage metal complexes of the N‐heterocyclic carbene–phosphinidene adduct IPr⋅PPh (IPr=1,3‐bis(2,6‐diisopropylphenyl)imidazolin‐2‐ylidene) were prepared by its reaction with CuCl, AgCl, and [(Me2S)AuCl], which afforded the monometallic complexes [(IPr⋅PPh)MCl] (M=Cu, Ag, Au). The reaction with two equivalents of the metal halides gave bimetallic [(IPr⋅PPh)(MCl)2] (M=Cu, Au); the corresponding disilver complex could not be isolated. [(IPr⋅PPh)(CuOTf)2] was prepared by reaction with copper(I) trifluoromethanesulfonate. Treatment of [(IPr⋅PPh)(MCl)2] (M=Cu, Au) with Na(BArF) or AgSbF6 afforded the tetranuclear complexes [(IPr⋅PPh)2M4Cl2]X2 (X=BArF or SbF6), which contain unusual eight‐membered M4Cl2P2 rings with short cuprophilic or aurophilic contacts along the chlorine‐bridged M⋅⋅⋅M axes. Complete chloride abstraction from [(IPr⋅PPh)(AuCl)2] was achieved with two equivalents of AgSbF6 in the presence of tetrahydrothiophene (THT) to form [(IPr⋅PPh){Au(THT)}2][SbF6]2. The cationic tetra‐ and dinuclear complexes were used as catalysts for enyne cyclization and carbene transfer reactions.
Adsorption on Mesoporous Metal–Organic Frameworks in Solution: Aromatic and Heterocyclic Compounds
Authors: Samokhvalov Alexander 
Published: September 2015

AbstractAdsorption and desorption play major roles in separations, purification of water, waste streams, liquid fuels, catalysis, biomedicine and chromatography. Mesoporous metal–organic frameworks (MOFs) with pore sizes 2–50 nm are particularly suitable for adsorption of organic compounds in solution. Tens of thousands of aromatic and heterocyclic compounds are major components of liquid fuels, feedstock for industrial synthesis, solvents, dyestuffs, agricultural chemicals, medicinal drugs, food additives, and so forth. This Review provides a systematization and analysis of studies on adsorption/desorption on mesoporous MOFs in solution and their underlying chemical mechanisms. The (in)stability of mesoporous MOFs in water is critically discussed. Adsorption capacity and selectivity are covered for organic dyes, medicinal drugs, major components of liquid fuels, and miscellaneous industrial chemicals. Ionic interactions, Brønsted acid–base interactions, hydrogen bonding, coordination bonding, π–π interactions, and non‐specific interactions are covered amongst adsorption mechanisms. The effects of post‐synthetic modifications of mesoporous MOFs on their stability, adsorption capacity, selectivity, and mechanisms of adsorption and desorption are analyzed. To encourage research in this quickly growing field, we identify “niches” for which no application‐oriented and/or mechanistic studies were reported. Perspectives and limitations of a wide use of mesoporous MOFs as industrial sorbents are discussed.
Application of Visible‐to‐UV Photon Upconversion to Photoredox Catalysis: The Activation of Aryl Bromides
Authors: Majek Michal , Faltermeier Uwe , Dick Bernhard , Pérez‐Ruiz Raúl , Jacobi von Wangelin Axel 
Published: September 2015

AbstractThe activation of aryl–Br bonds was achieved by sequential combination of a triplet–triplet annihilation process of the organic dyes, butane‐2,3‐dione and 2,5‐diphenyloxazole, with a single‐electron‐transfer activation of aryl bromides. The photophysical and chemical steps were studied by time‐resolved transient fluorescence and absorption spectroscopy with a pulsed laser, quenching experiments, and DFT calculations.
Mass transfer around slender drops in an extensional flow: Inertial effects at large peclet numbers
Authors: Favelukis Moshe 
Published: September 2015

AbstractThe exchange of mass between a slender drop and a viscous liquid in an axisymmetric extensional flow and at large Peclet numbers is examined. Four cases are discussed: an inviscid drop and a viscous drop, under both creeping flow conditions and when the external flow has a weak amount of inertia. Solutions are presented as a function of the capillary number (Ca ≫ 1), the viscosity ratio (κ ≪ 1), the external Reynolds number (Re ≪ 1), and the Peclet number (Pe ≫ 1). The results suggest that the steady mass transfer rate, to or from the slender drop, is proportional to the elongation rate to the (relative) high power of 3/2. In general, as inertia increases, the drop becomes thinner and longer, and the average tangential surface velocity and the surface area increase, resulting in larger mass transfer rates, especially near the breakup point.
Simulated moving bed reactor for p‐xylene production: Optimal particle size
Authors: Gonçalves Jonathan C. , Rodrigues Alírio E. 
Published: September 2015

ABSTRACTIn a previous work, a hybrid unit combining separation and isomerization within a Simulated Moving Bed Reactor unit (based on an existing Simulated Moving Bed) for the production of p‐xylene was analyzed with the currently‐used particle diameter of 0.62 mm. The unit is part of a proposed aromatics complex where lower p‐xylene purities allow the use of a homogeneous mixture of adsorbents and catalysts within the columns. In this work a similar study is carried out with four particle diameters: 0.5, 0.7, 0.8, and 0.9 mm, maintaining the extract and raffinate purity at 0.70 and 0.95 respectively, and a mass ratio of 0.9 g adsorbent per g of adsorbent‐plus‐catalyst. After performing simulations using the true moving bed approach, it is verified that the high amount of desorbent is mainly caused by the reverse reaction in the isomerization of xylenes. Furthermore, the highest productivity is offered by the 2‐6‐14‐2 configuration for every particle size studied. The system is then analyzed with that arrangement of columns under the maximum pressure drop of the existing Simulated Moving Bed unit (685 kPa). The optimal particle diameter is 0.62 mm, exhibiting the highest productivity (267.40 kg/m3 · h), and a desorbent consumption of 0.06 m3/kg. The results also show that a single study with a small particle size is sufficient to accurately determine the best configuration for the system.
Multicomponent Crystal Systems of Known Antimalarial Drug Molecules
Authors: Clements Monica , le Roex Tanya , Blackie Margaret 
Published: September 2015

AbstractPotential drug molecules are often discarded due to poor physicochemical properties and pharmacokinetic profiles. As such, research into the use of multicomponent crystal systems (such as salts and co‐crystals) is currently being conducted with the aim of improving the properties of the molecule, without altering the bioactivity of the drug. Although numerous studies have been performed on a wide variety of drug molecules, research with antimalarial drug molecules seems to have been neglected. With many of the current drugs becoming inactive due to resistance, there is an urgent need to find effective drugs with good pharmacokinetic profiles. The objective of this review is therefore to determine the extent to which multicomponent crystal systems have been used in antimalarial chemotherapy and whether this method provides a viable alternative to discarding potential drug candidates.
Current Pretreatment Technologies for the Development of Cellulosic Ethanol and Biorefineries
Authors: Silveira Marcos Henrique Luciano , Morais Ana Rita C. , da Costa Lopes Andre M. , Olekszyszen Drielly Nayara , Bogel‐Łukasik Rafał , Andreaus Jürgen , Pereira Ramos Luiz 
Published: September 2015

AbstractLignocellulosic materials, such as forest, agriculture, and agroindustrial residues, are among the most important resources for biorefineries to provide fuels, chemicals, and materials in such a way to substitute for, at least in part, the role of petrochemistry in modern society. Most of these sustainable biorefinery products can be produced from plant polysaccharides (glucans, hemicelluloses, starch, and pectic materials) and lignin. In this scenario, cellulosic ethanol has been considered for decades as one of the most promising alternatives to mitigate fossil fuel dependence and carbon dioxide accumulation in the atmosphere. However, a pretreatment method is required to overcome the physical and chemical barriers that exist in the lignin–carbohydrate composite and to render most, if not all, of the plant cell wall components easily available for conversion into valuable products, including the fuel ethanol. Hence, pretreatment is a key step for an economically viable biorefinery. Successful pretreatment method must lead to partial or total separation of the lignocellulosic components, increasing the accessibility of holocellulose to enzymatic hydrolysis with the least inhibitory compounds being released for subsequent steps of enzymatic hydrolysis and fermentation. Each pretreatment technology has a different specificity against both carbohydrates and lignin and may or may not be efficient for different types of biomasses. Furthermore, it is also desirable to develop pretreatment methods with chemicals that are greener and effluent streams that have a lower impact on the environment. This paper provides an overview of the most important pretreatment methods available, including those that are based on the use of green solvents (supercritical fluids and ionic liquids).
Functionalization of Metal–Organic Frameworks for Enhanced Stability under Humid Carbon Dioxide Capture Conditions
Authors: Andirova Dinara , Lei Yu , Zhao Xiaodan , Choi Sunho 
Published: September 2015

AbstractMetal‐organic frameworks (MOFs) have been highlighted recently as promising materials for CO2 capture. However, in practical CO2 capture processes, such as capture from flue gas or ambient air, the adsorption properties of MOFs tend to be harmed by the presence of moisture possibly because of the hydrophilic nature of the coordinatively unsaturated sites (CUSs) within their framework. In this work, the CUSs of the MOF framework are functionalized with amine‐containing molecules to prevent structural degradation in a humid environment. Specifically, the framework of the magnesium dioxybenzenedicarboxylate (Mg/DOBDC) MOF was functionalized with ethylenediamine (ED) molecules to make the overall structure less hydrophilic. Structural analysis after exposure to high‐temperature steam showed that the ED‐functionalized Mg/DOBDC (ED‐Mg/DOBDC) is more stable under humid conditions, than Mg/DOBDC, which underwent drastic structural changes. ED‐Mg/DOBDC recovered its CO2 adsorption capacity and initial adsorption rate quite well as opposed to the original Mg/DOBDC, which revealed a significant reduction in its capture capacity and kinetics. These results suggest that the amine‐functionalization of the CUSs is an effective way to enhance the structural stability of MOFs as well as their capture of humid CO2.
Transmission optimizing on dense femtocell deployments in 5G
Authors: Bouras Christos , Diles Georgios , Kokkinos Vasileios , Papazois Andreas 
Published: September 2015

SummaryIn the upcoming generation of mobile networks, femtocells will play a major role because they provide cost‐efficient improvement in data rates and coverage. High penetration is expected in the upcoming ultra‐dense 5G networks, increasing the probability of femtocells' clusters. This, in turn, will require interference mitigation techniques to protect nearby non‐subscribed users, especially in weak macrocell signal areas. In this paper, we present a mechanism where multiple femtocells coordinate their transmission to serve multiple non‐subscribed users through hybrid access. First, we introduce an algorithm that determines the spectrum allocation of femtocells' hybrid access. The algorithm aims to compensate for the performance reduction of subscribed users, due to reduced spectrum. For the second step of the mechanism, we introduce a power control algorithm that balances the impact of hybrid access among all the members of the femtocell cluster. First, we investigate the case where only one femtocell operates in hybrid access, and then we refine the power control algorithm by allowing multiple femtocells in the same cluster to operate in hybrid mode and by taking into account the effect that any change in power transmission will have on neighbouring femtocells. Simulations for the evaluation of the hybrid access algorithm compared with closed and other hybrid access schemes show improvement in the throughput of the non‐subscribed users connected to femtocell and the most impacted subscribed users at weak macrocell signal areas and in the fairness of the hybrid access application scheme. Copyright © 2015 John Wiley & Sons, Ltd.
The Reaction between Diazadienes and Element Tribromides EBr3 (E = P, B) Revisited: Metal‐Free Synthesis of Halogenated N‐Heterocyclic Phosphanes and Boranes
Authors: Herrmannsdörfer Dirk , Kaaz Manuel , Puntigam Oliver , Bender Johannes , Nieger Martin , Gudat Dietrich 
Published: September 2015

AbstractReactions of selected diazadienes with PBr3 and BBr3 in the presence of a tertiary amine yielding N‐heterocyclic phosphanes (NHPs) and N‐heterocyclic boranes (NHBs) were studied. It is demonstrated that heterocycle formation occurs even without an amine or another auxiliary reagent, and the amine acts mainly as scavenger of Br2 formed as by‐product, but also that the additive speeds up reactions and has an influence on the product selectivity. In extension of the results of earlier studies it is shown that the reactions can follow two different pathways to give either 2‐bromo‐ or 2,4‐dibromo‐substituted heterocycles. Computational studies enabled to propose a reaction mechanism, which relates the observed behaviour to the availability of two competing reaction channels and provides also a rational explanation for the different behaviour of ECl3, EBr3, and EI3 (E = B, P) in cycloaddition reactions with diazadienes, which is empirically well established. In the borane series, a tribromo‐NHB is formed in a follow‐up reaction between the initial products and Br2, which seems to be the first example of an electrophilic backbone functionalization in an NHB. The 2‐bromo derivative is formed exclusively when PPh3 is used as auxiliary reagent. Selected products are isolated and fully characterised, proving the synthetic utility of the reactions studied.
Regioselective and Enantioselective Domino Aldol–Oxa‐Michael Reactions to Construct Quaternary (Chroman) Stereocenters
Authors: Liu Kegang , Jiang Xiaohua 
Published: September 2015

AbstractAn asymmetric domino aldol–oxa‐Michael reaction of salicylaldehydes and β,β‐disubstituted α,β‐unsaturated aldehydes has been developed by using dienamine‐mediated catalysis. The developed strategy leading to the stereoselective and regioselective formation of novel chroman derivatives with quaternary (chroman) stereocenters is presented. Particularly, salicylaldehydes with variously substitution patterns dominate the efficient construction of the chroman derivatives with high molecular complexity and skeletal diversity in excellent diastereo‐ and enantioselectivities.