bluuebunny/crossref_metadata_2025_split huggingface dataset:
Software engineering education for a graduate course: A web‐based tool for conducting process improvement initiatives with local industry collaboration
Authors: Garcia I. A. , Calvo‐Manzano J. A. , Pacheco C. L. , Perez C. A. 
Published: October 2013

ABSTRACTIn recent years, there has been an on‐going demand for better services and functionality in software products; as a consequence many models, techniques, and tools have been developed such as CMMI‐DEV v1.2, TSP, or Scrum. However, software products still suffer from excessive costs, delays in delivery, and low quality. Furthermore, there is a lack of educational material providing high levels of interaction between students and the software industry to learn about how enterprises adopt these models, techniques, and tools into their daily work. This article describes a web‐based Tool (EduSysProVAL) to support a graduate course in collaboration with the local software industry. The main goal of this research is to demonstrate that a Software Engineering course may use the EduSysProVAL tool to improve students' practical and professional skills, thus increasing their participation and effort in improvement initiatives, in comparison to traditional educational approaches which are only based on theory classes. This research uses a four‐category questionnaire and follow‐up interviews to evaluate a satisfactory level of tool effectiveness with undergraduate students and summarizes the industry's positive perceptions about its contribution to the course. © 2013 Wiley Periodicals, Inc. Comput Appl Eng Educ 23:117–136, 2015; View this article online at wileyonlinelibrary.com/journal/cae; DOI 10.1002/cae.21584
The Use of the Child Abuse Potential Inventory in the Assessment of Parents involved in Care Proceedings
Authors: Laulik Sarah , Allam Jayne , Browne Kevin 
Published: October 2013

Assessing for potential physical abuse is a fundamental task for those professionals undertaking assessments of parents involved in care proceedings. One tool developed to help assist in this endeavour is the Child Abuse Potential (CAP) Inventory (Milner, , ). The CAP Inventory provides an estimate of parental risk of child abuse and is one of the most widely used psychometric tools by psychologists in child protection settings. This review evaluates the psychometric properties of this measure and provides an overview of its potential uses, as well as its limitations. It concludes that there is evidence to support the validity and reliability of the CAP Inventory for use in care proceedings. Specifically, the review indicates that the CAP Inventory has good levels of reliability and validity (construct, content and concurrent). The only aspect of validity for which there is a lack of evidence is that of predictive validity and this is due to a dearth of prospective studies. Given the above, the practical, clinical and ethical implications for the use of the CAP Inventory in the assessment of parents involved in care proceedings are discussed. Copyright © 2013 John Wiley & Sons, Ltd.‘There is evidence to support the validity and reliability of the CAP Inventory for use in care proceedings’
Reducing Product Inhibition in Nucleic Acid‐Templated Ligation Reactions: DNA‐Templated Cycligation
Authors: Roloff Alexander , Seitz Oliver 
Published: October 2013

AbstractProgrammable interactions allow nucleic acid molecules to template chemical reactions by increasing the effective molarities of appended reactive groups. DNA/RNA‐triggered reactions can proceed, in principle, with turnover in the template. The amplification provided by the formation of many product molecules per template is a valuable asset when the availability of the DNA or RNA target is limited. However, turnover is usually impeded by reaction products that block access to the template. Product inhibition is most severe in ligation reactions, where products after ligation have dramatically increased template affinities. We introduce a potentially generic approach to reduce product inhibition in nucleic acid‐programmed ligation reactions. A DNA‐triggered ligation–cyclization sequence (“cycligation”) of bifunctional peptide nucleic acid (PNA) conjugates affords cyclic ligation products. Melting experiments revealed that product cyclization is accompanied by a pronounced decrease in template affinity compared to linear ligation products. The reaction system relies upon haloacetylated PNA‐thioesters and isocysteinyl‐PNA‐cysteine conjugates, which were ligated on a DNA template according to a native chemical ligation mechanism. Dissociation of the resulting linear product‐template duplex (induced by, for example, thermal cycling) enabled product cyclization through sulfur‐halide substitution. Both ligation and cyclization are fast reactions (ligation: 86 % yield after 20 min, cyclization: quantitative after 5 min). Under thermocycling conditions, the DNA template was able to trigger the formation of new product molecules when fresh reactants were added. Furthermore, cycligation produced 2–3 times more product than a conventional ligation reaction with substoichiometric template loads (0.25–0.01 equiv). We believe that cyclization of products from DNA‐templated reactions could ultimately afford systems that completely overcome product inhibition.
Fibronectin promotes migration and invasion of ovarian cancer cells through up‐regulation of FAK–PI3K/Akt pathway
Authors: Yousif Nasser Ghaly 
Published: October 2013

AbstractOvarian cancer is the leading cause of death from gynecological malignancy, and the fourth most common cause of cancer death among American women. This study investigates the mechanism of fibronectin (FN) in stimulating ovarian cancer cell migration and invasion through up‐regulation of focal adhesion kinase (FAK) pathway. Human ovarian cancer cells (OVCAR‐3, A2780/CP70) were cultured and treated with fibronectin (10 µg/mL). Trans‐well plates were used to conduct the migration assay, real‐time RT‐PCR for FAK mRNA expression, and FAK siRNA for blocking FAK expression. Western blots were used for P‐FAK, P‐PI3K, and P‐Akt analysis. Fibronectin‐treated OVCAR‐3, A2780/CP70 cells have increased ability to migrate and invade. It significantly promoted this behavior through the phosphorylation of FAK. The cell displayed significantly increased signaling regulation of the FAK pathway (p‐PI3K/P‐Akt). Furthermore, siRNA FAK‐treated cells had reduced the levels of p‐PI3K/P‐Akt after induced by fibronectin. Our results indicate that FAK inhibition can suppress ovarian cancer cells migration and invasion through inhibiting downstream signaling (PI3K/AKT), which might be a therapeutic target or biomarker for ovarian cancer.
Comparison of different methods for the isolation of mesenchymal stem cells from umbilical cord matrix: Proliferation and multilineage differentiation as compared to mesenchymal stem cells from umbilical cord blood and bone marrow
Authors: Hua Jie , Gong Jian , Meng Hongbo , Xu Bin , Yao Le , Qian Mingping , He Zhigang , Zou Shaowu , Zhou Bo , Song Zhenshun 
Published: October 2013

AbstractWe have identified the most appropriate method of isolating human umbilical cord matrix‐derived mesenchymal stem cells (UCM‐MSCs) and compared morphological, phenotypic, proliferative and differentiation characteristics of UCM‐MSCs with bone marrow‐derived MSCs (BM‐MSCs) and umbilical cord blood‐derived MSCs (UCB‐MSCs). Three explant culture methods and three enzymatic methods were compared with regards to time for primary culture, cell number, cell morphology, immune phenotype and differentiation potential. Morphological, phenotypic, proliferative and differentiation characteristics of UCM‐MSCs, BM‐MSCs and UCB‐MSCs were also compared. UCM‐MSCs isolated using the 10 mm size tissue explant method led to shorter primary culture time, higher numbers of isolated cells and higher proliferation rates compared with other isolation methods. Immune phenotype and multilineage differentiation capacity did not differ significantly among six groups. UCM‐MSCs had similar characteristics as BM‐MSCs and UCB‐MSCs, including fibroblastic morphology, typical immunophenotypic markers and multilineage differentiation capacity. In comparison with UCB‐MSCs and BM‐MSCs, UCM‐MSCs have higher proliferative capacity, higher rate of chondrogenic differentiation, and higher expression of CD 146. The results suggest that the 10 mm size tissue culture method is the optimal protocol for the isolation of UCM‐MSCs. Given the distinct advantages of UC, such as accessibility, painless acquisition and abundance of cells obtained, we propose that UC be considered an alternative to BM and UCB as a source of MSCs for cell therapy.
UK multicenter experience using the gore septal occluder (GSOTM) for atrial septal defect closure in children and adults
Authors: Smith Ben , Thomson John , Crossland David , Spence Mark S. , Morgan Gareth J. 
Published: October 2013

BackgroundPercutaneous closure of atrial defects (ASD) has evolved as the treatment of choice for the majority of defects and patent oval foramens. The Gore Septal Occluder (GSO) is an innovative device consisting mostly of a folded thin GoreTex tube for use in the closure of septal defects.MethodsReviewed is the multicenter UK experience of the first 22 ASD occlusions with the GSOTM device. All implantations were performed by consultant operators experienced in ASD device closure. The inclusion criterion was the presence of a hemodynamically significant secundum ASD with a diameter of <18 mm. Procedural data and acute and mid‐term closure rates were retrospectively matched to a cohort of patients having defect closure using the Amplatzer Septal OccluderTM (ASOTM).ResultsAcute and 3‐month follow‐up closure rates for the GSOTM were 100% and 100% vs. 100% and 100% closure with the ASOTM implants. The difference in paired procedure times was not statistically significant (56 min: GSOTM; 42 min: ASOTM device P = ns), nor was the paired difference in fluoroscopic screening times (12 min: GSOTM vs. 8.4 min: ASOTM, P = ns). One GSO device embolized immediately after deployment and was successfully retrieved at the same procedure. There were no other significant complications in either group.ConclusionsThe GSOTM implant can achieve comparable closure rates to the ASOTM in small to moderate atrial septal defects after 3 months. Longer fluoroscopy and procedure times are a drawback; however these should improve with familiarity with the implant and deployment system. The larger sheath size was not associated with increased complications in our cohort. © 2013 Wiley Periodicals, Inc.
Type II Flavin‐Containing Monooxygenases: A New Class of Biocatalysts that Harbors Baeyer–Villiger Monooxygenases with a Relaxed Coenzyme Specificity
Authors: Riebel Anette , Fink Michael J. , Mihovilovic Marko D. , Fraaije Marco W. 
Published: October 2013

AbstractWithin a newly identified set of flavin‐containing monooxygenases (FMOs) from Rhodococcus jostii RHA1, we have identified three monooxygenases (FMO‐E, FMO‐F, and FMO‐G) that are effective in catalyzing Baeyer–Villiger oxidations. These type II FMOs display relaxed coenzyme specificity by accepting both NADPH (reduced form of nicotinamide adenine dinucleotide phosphate) and NADH (reduced form of nicotinamide adenine dinucleotide), as a coenzyme, which is a novel and attractive feature among biocatalysts capable of conducting Baeyer–Villiger oxidations. We purified FMO‐E and determined that the Michaelis constants for both coenzymes were in the micromolar range, whereas the activity was highest for NADH. By using the stopped‐flow technique, formation of a peroxyflavin–enzyme intermediate was observed, which indicated that type II FMOs follow a catalytic mechanism similar to that of other class B flavoprotein monooxygenases. A set of cyclobutanones and cyclohexanones were used to probe the regio‐ and enantioselectivity of all three recombinant monooxygenases. The biocatalysts readily accepted small cyclic ketones, which enabled the conversion of previously poorly accepted substrates by other monooxygenases (especially norcamphor), and exhibited excellent and unique regio‐ and enantioselectivities. Sequence analysis revealed that type II FMOs that act as Baeyer–Villiger monooxygenases contain a unique N‐terminal domain. Sequence conservation in this protein domain can be used to identify new NADH‐dependent Baeyer–Villiger monooxygenases, which would facilitate future biocatalyst discovery efforts.
XAFS Study on the Specific Deoxidation Behavior of Iron Titanate Catalyst for the Selective Catalytic Reduction of NOx with NH3
Authors: Liu Fudong , He Hong , Xie Lijuan 
Published: October 2013

AbstractThe environmentally friendly catalyst iron titanate (FeTiOx) was reported to be very active for the selective catalytic reduction of NOx with NH3 (NH3‐SCR), with high N2 selectivity and H2O/SO2 durability in the medium temperature range, and the specific microstructure of iron titanate crystallites as the active phase was determined. In consideration of the probable existence of a redox cycle between Fe3+ and Fe2+ species in the NH3‐SCR reaction, the deoxidation behavior of the FeTiOx catalyst in an H2 temperature‐programmed reduction process was studied extensively by X‐ray absorption near‐edge structure (XANES) and extended X‐ray absorption fine‐structure (EXAFS) methods. Owing to the presence of an electronic inductive effect between Fe and Ti species in the unique edge‐shared Fe3+(O)2Ti4+ structure, the reducibility of Fe3+ species in the FeTiOx catalyst was greatly enhanced compared with that in pristine Fe2O3, leading to the higher oxidation ability of Fe species in FeTiOx. In the H2 temperature‐programmed reduction process, the well‐dispersed Fe3+ species in iron titanate crystallites could be totally converted into Fe2+ in the form of ilmenite FeTiO3 below 500 °C, whereas pristine Fe2O3 could only be reduced to Fe3O4 up to this temperature point. The typical NH3‐SCR reaction is usually conducted below 500 °C, and the enhanced oxidation ability of Fe3+ species in FeTiOx catalyst is responsible for its excellent catalytic NOx reduction performance at low temperatures. Based on XANES linear fitting and EXAFS curve‐fitting results, the specific deoxidation process of the FeTiOx catalyst was proposed, which can provide useful information for the characterization of the microstructure and redox ability of active sites simultaneously in mixed oxide catalysts for certain catalytic reactions.
Calcium Oxide Supported on Monoclinic Zirconia as a Highly Active Solid Base Catalyst
Authors: Frey Anne Mette , van Haasterecht Tomas , P. de Jong Krijn , Bitter Johannes Hendrik 
Published: October 2013

AbstractCalcium oxide supported on ZrO2 is a highly active catalyst for base‐catalyzed reactions such as aldol‐type reactions and transesterification reactions. The role of key parameters during preparation, that is, impregnation versus precipitation, heat treatment, and metal oxide loading on the basicity and catalytic activity were investigated for CaO supported on ZrO2. An impregnation of 10 wt % CaO on monoclinic zirconia followed by heat treatment at 600 °C resulted in high activity for the self‐condensation reaction of acetone. An evaluation of a series of CaO/ZrO2 samples with different loadings showed that the activity increased for impregnated amounts per gram catalyst of 0–10 wt % CaO, and at higher loading the activity decreased as a result of a decrease in dispersion. The number of strong base sites (calculated from CO2 desorbed at temperatures higher than 625 °C) correlated with the activity. For MgO, CaO, SrO, and BaO on zirconia the catalytic activity increased as the ionic radius of the metal cation increased, suggesting the impact of base strength on catalytic performance.
Nanocomposite Graphene/Pt Electrocatalyst as Economical Counter Electrode for Dye‐Sensitized Solar Cells
Authors: Yeh Min‐Hsin , Lin Lu‐Yin , Su Jheng‐Sin , Leu Yow‐An , Vittal R. , Sun Chia‐Liang , Ho Kuo‐Chuan 
Published: October 2013

AbstractPlatinum is the most common electrocatalyst used as a counter electrode (CE) in dye‐sensitized solar cells (DSSCs). However, due to its high cost, Pt presents an obstacle to popularizing DSSCs in energy‐harvesting applications. Therefore, effective utilization of Pt and good understanding of the role of its composites are critical issues for developing low‐cost DSSCs with high efficiency. In this study, a graphene/Pt nanoparticles (GN/PtNPs) nanocomposite is synthesized as the catalyst for the CE of a DSSC. GN/PtNPs catalysts with various of PtNP loadings (10–60 wt %) are obtained by using a polyol reduction method, and are subsequently characterized by using X‐ray diffraction, transmission electron microscopy, field‐emission scanning electron microscopy, and energy‐dispersive X‐ray spectroscopy. A solar‐to‐electricity conversion efficiency (η) of 8.79 % is achieved for a DSSC with a GN/PtNPs CE containing 20 wt% PtNPs (GN/PtNPs‐20 %); this η value is higher than those of the cells with CEs consisting of pristine GN (7.65 %) or sputtered Pt (s‐Pt, 8.58 %). Electrochemical impedance spectroscopy, cyclic voltammetry, and Tafel polarization plots reveal that the higher η value of the cell with GN/PtNPs‐20 % is due to the higher electrocatalytic ability of the CE for the reduction of triiodide ions (I3−) and the reduced charge‐transfer resistance at the CE/electrolyte interface. The excellent electrocatalytic performance of GN/PtNPs‐20 % is attributed essentially to its high intrinsic heterogeneous rate constant for the I3− reduction reaction and partly to its high electrochemical surface area, which are quantitatively calculated by means of a rotating disk electrode system and the Koutecký–Levich equation.
Solvent‐Dependent Truxene‐Based Nanostructures
Authors: Gomez‐Esteban Sandra , Pezella Marco , Domingo Angel , Hennrich Gunther , Gómez‐Lor Berta 
Published: October 2013

AbstractThree truxene derivatives functionalized with alkyl chains, either attached directly or distanced by linking phenyl or ethynyl groups, self‐assemble in solution and induce the gelation of different solvents in spite of not being endowed with groups able to establish strong directional interactions. A 1H NMR study points to face‐to‐face alternating π‐stacked motifs at the origin of nucleation. Solvents play an important role in modulating the aggregation of these derivatives giving rise to fibrous or spherical superstructures. Analysis of the influence of different solvents on the morphology of the aggregates provides a better understanding of the various stages of the hierarchical self‐assembly. The way in which alkyl chains are attached to the central core also strongly affects the self‐assembling properties and gelation ability of this series. Phenyl spacers present the highest association constants in solution and give rise to gelation in a broader range of solvents. This behavior has been rationalized by means of 1H NMR spectroscopy, X‐ray powder diffraction, SEM, and photophysical measurements. Interestingly, it was found that these compounds in the gel state exhibit unusual emission properties most likely arising from the formation of excimers, which evidences that π–π interactions also occur in the excited state.
A Systematic Study of Fluorescence‐Based Detection of Nitroexplosives and Other Aromatics in the Vapor Phase by Microporous Metal–Organic Frameworks
Authors: Pramanik Sanhita , Hu Zhichao , Zhang Xiao , Zheng Chong , Kelly Sean , Li Jing 
Published: October 2013

AbstractA systematic study is conducted on four microporous metal–organic framework compounds built on similar ligands but different structures, namely [Zn3(bpdc)3(bpy)]⋅4 DMF⋅H2O (1), [Zn3(bpdc)3(2,2′dmbpy)]⋅4 DMF⋅ H2O (2), [Zn2(bpdc)2(bpe)]⋅2 DMF (3), and [Zn(bpdc)(bpe)]⋅DMF (4) (bpdc=4,4′‐biphenyldicarboxylate; bpy=4,4′‐bipyridine; 2,2′dmbpy=2,2′‐dimethyl‐4,4′bipyridine; bpe=1,2‐bis(4‐pyridyl)ethane; DMF=N,N′‐dimethylformamide) to investigate their photoluminescence properties and sensing/detection behavior upon exposure to vapors of various aromatic molecules (analytes) including nitroaromatic explosives. The results show that all four compounds are capable of detecting these molecules in the vapor phase through fluorescence quenching or enhancement. Both electrochemical measurements and theoretical calculations are performed to analyze the analyte–MOF interactions, to explain the difference in signal response by different analytes, and to understand the mechanism of fluorescence quenching or enhancement observed in these systems. Interestingly, compound 3 also shows an emission frequency shift when exposed to benzene (BZ), chlorobenzene (ClBZ), and toluene (TO), which provides an additional variable for the identification of different analytes in the same category.
Unveiling Photodeactivation Pathways for a New Iridium(III) Cyclometalated Complex
Authors: Escudero Daniel , Heuser Eike , Meier Robert J. , Schäferling Michael , Thiel Walter , Holder Elisabeth 
Published: October 2013

AbstractWe report the synthesis and characterization of a neutral heteroleptic IrIII complex bearing 6‐fluoro‐2‐phenylbenzo[d]thiazole as cyclometalating ligand and (Z)‐6‐(9H‐carbazol‐9‐yl)‐5‐hydroxy‐2,2‐dimethylhex‐4‐en‐3‐one as ancillary ligand. The photodeactivation mechanisms have been elucidated through extensive density functional theory (DFT) calculations. The active role of metal‐centered (3MC) triplet excited states in the nonradiative deactivation pathways is, for first time, confirmed in such complexes.
Chiral Primary‐Amine‐Catalyzed Conjugate Addition to α‐Substituted Vinyl Ketones/Aldehydes: Divergent Stereocontrol Modes on Enamine Protonation
Authors: Fu Niankai , Zhang Long , Luo Sanzhong , Cheng Jin‐Pei 
Published: October 2013

AbstractEnantioselective protonation with a catalytic enamine intermediate represents a challenging, yet fundamentally important process for the synthesis of α‐chiral carbonyls. We describe herein chiral primary‐amine‐catalyzed conjugate additions of indoles to both α‐substituted acroleins and vinyl ketones. These reactions feature enamine protonation as the stereogenic step. A simple primary–tertiary vicinal diamine 1 with trifluoromethanesulfonic acid (TfOH) was found to enable both of the reactions of acroleins and vinyl ketones with good activity and high enantioselectivity. Detailed mechanistic studies reveal that these reactions are rate‐limiting in iminium formation and they all involve a uniform H2O/acid‐bridged proton transfer in the stereogenic steps but divergent stereocontrol modes for the protonation stereoselectivity. For the reactions of α‐branched acroleins, facial selections on H2O‐bridged protonation determine the enantioselectivity, which is enhanced by an OH⋅⋅⋅π interaction with indole as uncovered by DFT calculations. On the other hand, the stereoselectivity of the reactions with vinyl ketones is controlled according to the Curtin–Hammett principle in the CC bond‐formation step, which precedes a highly stereospecific enamine protonation.