bluuebunny/crossref_metadata_2025 huggingface dataset:
No difference in learning retention in manikin-based simulation based on role
Authors: Giuliano Dominic , DC Marion McGregor
Published: September 2015

Objective: We evaluated learning retention in interns exposed to simulation. It was hypothesized that learning would degrade after 6 months and there would be a difference in retention between interns who played a critical role versus those who did not.

Methods: A total of 23 groups of 5 to 9 interns underwent a cardiac scenario twice during 1 simulation experience and again 6 months later. We captured 69 recordings (23 before debrief at baseline [PrDV], 23 after debrief at baseline [PoDV], and 23 at 6-month follow-up [FUV]). Students were assigned different roles, including the critical role of “doctor” in a blinded, haphazard fashion. At 6-month follow-up, 12 interns who played the role of doctor initially were assigned that role again, while 11 interns who played noncritical roles initially were newly assigned to doctor. All videos of intern performance were scored independently and in a blinded fashion, by 3 judges using a 15-item check list.

Results: Repeated-measures analysis of variance for interns completing all 3 time points indicated a significant difference between time points (F2,22 = 112, p = .00). Contrasts showed a statistically significant difference between PrDV and PoDV (p = .00), and PrDV and FUV (p = .00), but no difference between PoDV and FUV (p = .98). This was consistent with results including all data points. Checklist scores were more than double for PoDV recordings (16) and FUV (15), compared to PrDV recordings (6.6). Follow-up scores comparing old to new doctors showed no statistically significant difference (15.4 vs 15.2 respectively, t21 = 0.26, p = .80, d = .11).

Conclusions: Learning retention was maintained regardless of role.
Paleoreconstruction of organic carbon inputs to an oxbow lake in the Mississippi River watershed: Effects of dam construction and land use change on regional inputs
Authors: Bianchi Thomas S. , Galy Valier , Rosenheim Brad E. , Shields Michael , Cui Xingqian , Van Metre Peter
Published: September 2015

We use a dated sediment core from Lake Whittington (USA) in the lower Mississippi River to reconstruct linkages in the carbon cycling and fluvial sediment dynamics over the past 80 years. Organic carbon (OC) sources were characterized using bulk (δ13C, ramped pyrolysis‐oxidation (PyrOx) 14C, δ15N, and TN:OC ratios) and compound‐specific (lignin phenols and fatty acids, including δ13C and 14C of the fatty acids) analyses. Damming of the Missouri River in the 1950s, other hydrological modifications to the river, and soil conservation measures resulted in reduced net OC export, in spite of increasing OC concentrations. Decreasing δ13C values coincided with increases in δ15N, TN:OC ratios, long‐chain fatty acids, and lignin‐phenol concentrations, suggesting increased inputs of soil‐derived OC dominated by C3 vegetation, mainly resulting from changes in farming practices and crop distribution. However, ramped PyrOx 14C showed no discernible differences downcore in thermochemical stability, indicating a limited impact on soil OC turnover.
Thermospheric and geomagnetic responses to interplanetary coronal mass ejections observed by ACE and GRACE: Statistical results
Authors: Krauss S. , Temmer M. , Veronig A. , Baur O. , Lammer H.
Published: September 2015

For the period July 2003 to August 2010, the interplanetary coronal mass ejection (ICME) catalogue maintained by Richardson and Cane lists 106 Earth‐directed events, which have been measured in situ by plasma and field instruments on board the ACE satellite. We present a statistical investigation of the Earth's thermospheric neutral density response by means of accelerometer measurements collected by the Gravity Recovery And Climate Experiment (GRACE) satellites, which are available for 104 ICMEs in the data set, and its relation to various geomagnetic indices and characteristic ICME parameters such as the impact speed (
), southward magnetic field strength (Bz). The majority of ICMEs causes a distinct density enhancement in the thermosphere, with up to a factor of 8 compared to the preevent level. We find high correlations between ICME Bz and thermospheric density enhancements (≈0.9), while the correlation with the ICME impact speed is somewhat smaller (≈0.7). The geomagnetic indices revealing the highest correlations are Dst and SYM‐H(≈0.9); the lowest correlations are obtained for Kp and AE (≈0.7), which show a nonlinear relation with the thermospheric density enhancements. Separating the response for the shock‐sheath region and the magnetic structure of the ICME, we find that the Dst and SYM‐H reveal a tighter relation to the Bz minimum in the magnetic structure of the ICME, whereas the polar cap indices show higher correlations with the Bz minimum in the shock‐sheath region. Since the strength of the Bz component—either in the sheath or in the magnetic structure of the ICME—is highly correlated (≈0.9) with the neutral density enhancement, we discuss the possibility of satellite orbital decay estimates based on magnetic field measurements at L1, i.e., before the ICME hits the Earth magnetosphere. These results are expected to further stimulate progress in space weather understanding and applications regarding satellite operations.
Boron: Inorganic Chemistry
Authors: Schubert David M.
Published: September 2015

Boron is unique among the elements and displays remarkable chemistry in all of its compounds. It is widely distributed in low concentrations throughout the Earth's crust and is nearly always found bound to oxygen in its natural forms. Boron enters the life cycle of plants and animals and is important for the normal growth of plants, and possibly all living things. The vast majority of industrial uses of boron involve boron–oxygen compounds, including metal borates, boric oxide, boric acid, and boric acid esters. These have large‐scale applications in many industries, most notably in the manufacture of glasses, ceramics, and other vitreous materials. Boric acid is a weak Lewis acid that does not display Brønsted acidity in aqueous solution. Condensation of B(OH)3and its conjugate base B(OH)4−to form polyborate anions in aqueous solution has important implications for the solubilities and other solution properties of metal and nonmetal borate salts and provides the structural basis of numerous natural and synthetic borate compounds. Boric acid reacts with alcohols and other hydroxyl group‐bearing compounds to form esters, which have many industrial uses. Reversible borate ester formation with 1,2‐ and 1,3‐diols provides the basis for crosslinked polymers used in adhesives and oilfield applications as well as the essential biological roles of boron. Although much smaller in scale compared to boron oxides, nonoxide compounds of boron have many important industrial uses. These include refractory compounds, such as boron carbide, boron nitrides, boron phosphides, elemental boron, metal borides, and metal‐boron alloys, as well as nonrefractories such as the boron halides and boron hydrides. Although many nonrefractory compounds, such as boron–sulfur compounds, are yet to find significant industrial uses, they nonetheless exhibit fascinating chemistries.
Carbon: Inorganic Chemistry
Authors: Huskić Igor , Friščić Tomislav
Published: September 2015

The article provides a brief and general overview of the chemical and physical properties of carbon, relevant to inorganic chemistry and mineralogy. Several allotropes of carbon are noted, and general properties are discussed. The characteristics and synthetic methods for the preparation of simple compounds involving carbon, or carbon and hydrogen, with halogens, oxygen, sulfur, and nitrogen, are provided. This is complemented by brief overviews of metal carbides and mineral chemistry of carbon compounds, excluding metal carbonates. Finally, developments in supramolecular chemistry to construct ladderlike carbon frameworks are outlined.
Germanium: Organometallic Chemistry
Authors: Weinert Charles S.
Published: September 2015

This article is an update to the overview of germanium organometallic chemistry published in 2009 in theEncyclopedia of Inorganic and Bioinorganic Chemistry. Major advances in the synthesis and chemistry of compounds containing Ge–C bonds are discussed, including simple organogermanes, germylenes, and oligo‐ and polygermanes containing either single or multiple germanium–germanium bonds. The generation of germanium‐centered radicals and cations is also discussed. Advances in the physical characterization of these compounds are also covered.
Cell Surface Antigen – Manganese‐Binding ProteinMntCfromStaphylococcus Aureus
Authors: Gribenko Alexey V , Liberator Paul , Anderson Annaliesa S , Matsuka Yury V , Mosyak Lidia
Published: September 2015

MntC is the metal‐binding protein component of the Mn2+‐specific MntABC transporter from the human pathogenStaphylococcus aureus. MntC orthologs are found in all Gram positive bacteria, the protein is attached to the bacterial membrane through a lipid anchor and captures Mn2+ion from the environment with high affinity for subsequent transport across the transmembrane channel of the transporter. MntC consists of two homologous domains connected through a long ‘backbone’ α‐helix, with a metal‐binding site located at the interface of those domains. The long α‐helix restricts domain mobility, making it harder for the bound ligand (Mn2+) to escape the binding site and, correspondingly, increasing the metal‐binding affinity of the protein. The physiological role of Mn2+binding by MntC in bacterial resistance to oxidative stress is well documented. MntC is also able to bind other divalent metals (Zn2+, Co2+, Ni2+, and Cd2+), although it is not yet clear whether this has any biological relevance. Binding of divalent metals to the protein can be reversible and irreversible, depending on the nature of the metal. X‐ray data provide a plausible explanation for the two binding modes: the X‐ray structure contains two molecules in the asymmetric unit, with the metal‐binding site being solvent accessible in one molecule and inaccessible in the other. Serum antibodies to MntC (or orthologs of MntC) are detected following exposure to staphylococcal species in animal models as well as in human sera from patients withS. aureusinfections. Immunization with a recombinant expressed MntC protein antigen induces protective immunity againstS. aureusin preclinical models of infection. As such, MntC is a promising vaccine candidate and is currently being tested in human clinical trials as a component of a multiantigen vaccine for the prevention of staphylococcal infections.
Mammalian Cysteine Dioxygenase
Authors: Driggers Camden M , Stipanuk Martha H , Karplus P Andrew
Published: September 2015

Cysteine dioxygenase (CDO) is a mononuclear nonheme Fe(II) enzyme that catalyzes the oxidation ofl‐cysteine tol‐cysteinesulfinic acid (CSA) by addition of both atoms of molecular oxygen to the cysteine sulfur. Mammalian CDO is highly expressed in the liver, the pancreas, the adipose tissue, the kidney and the lungs, and the CSA produced is further converted to either taurine or sulfate plus pyruvate. To maintain cysteine levels within the narrow range required for health, mammalian CDO is regulated by the modulation of enzyme turnover and through formation of a Cys93‐Tyr157 crosslink that increases its activity over 10‐fold. Imbalances in cysteine metabolism have been observed in several neurological disorders, and CDO has been identified as a tumor suppressor. Bacterial CDOs also exist, as do a variety of related thiol dioxygenases that have been less well studied. High‐resolution crystal structures of CDO reveal iron coordination by three histidines. Cysteine coordinates the iron by its amino and thiolate groups, leaving a sixth coordination site open for dioxygen. A cysteine persulfenate has been trapped in the active site, but despite substantial spectroscopic studies and theoretical calculations, the details of the mechanism are still a matter of debate and it is uncertain if this is an intermediate.
Zinc Proteomics
Authors: Nowakowski Andrew , Karim Mohammad , Petering David
Published: September 2015

The formation of the Zn‐proteome involves a complex array of interactions of Zn2+with cellular proteins, beginning with transporters that govern the movement of Zn2+into and from the cytosol and organelles. Within these compartments, free Zn2+concentration is maintained at nanomolar to picomolar levels through extensive buffering by components of the proteome such as metallothionein. Current information favors the buffer as the source of Zn2+for the constitution of native Zn‐proteins; but neither equilibrium nor kinetic results demonstrate clearly how trafficking of Zn2+to specific sites occurs. The chemical basis of Zn2+‐based signaling, illustrated with the transcription factor MTF‐1, is similarly ambiguous. Once formed, the Zn‐proteome is preserved under Zn2+‐deficient conditions, but is susceptible to widespread metal exchange with Cd2+and reaction with other xenobiotics. Zn‐proteomic research extensively utilizes fluorescent sensors for Zn2+. Two of these, TSQ and Zinquin, form adducts with significant fractions of the Zn‐proteome and thereby reveal their status and reactivity under a variety of physiological and pathological conditions. The next step in the evolution of zinc proteomics will be to deconvolute collective Zn‐proteomic behavior into the reactions of individual Zn‐proteins. Methods are discussed that support this advance.
Angular‐Shaped 4,9‐Dialkyl α‐ and β‐Naphthodithiophene‐Based Donor–Acceptor Copolymers: Investigation of Isomeric Structural Effects on Molecular Properties and Performance of Field‐Effect Transistors and Photovoltaics
Authors: Cheng Sheng‐Wen , Chiou De‐Yang , Tsai Che‐En , Liang Wei‐Wei , Lai Yu‐Ying , Hsu Jhih‐Yang , Hsu Chain‐Shu , Osaka Itaru , Takimiya Kazuo , Cheng Yen‐Ju
Published: September 2015

Two angular‐shaped 4,9‐didodecyl α‐aNDT and 4,9‐didodecyl β‐aNDT isomeric structures have been regiospecifically designed and synthesized. The distannylated α‐aNDT and β‐aNDT monomers are copolymerized with the Br‐DTNT monomer by the Stille coupling to furnish two isomeric copolymers, PαNDTDTNT and PβNDTDTNT, respectively. The geometric shape and coplanarity of the isomeric α‐aNDT and β‐aNDT segments in the polymers play a decisive role in determining their macroscopic device performance. Theoretical calculations show that PαNDTDTNT possesses more linear polymeric backbone and higher coplanarity than PβNDTDTNT. The less curved conjugated main chain facilitates stronger intermolecular π–π interactions, resulting in more redshifted absorption spectra of PαNDTDTNT in both solution and thin film compared to the PβNDTDTNT counterpart. 2D wide‐angle X‐ray diffraction analysis reveals that PαNDTDTNT has more ordered π‐stacking and lamellar stacking than PβNDTDTNT as a result of the lesser curvature of the PαNDTDTNT backbone. Consistently, PαNDTDTNT exhibits a greater field effect transistor hole mobility of 0.214 cm2 V−1 s−1 than PβNDTDTNT with a mobility of 0.038 cm2 V−1 s−1. More significantly, the solar cell device incorporating the PαNDTDTNT:PC71BM blend delivers a superior power conversion efficiency (PCE) of 8.01% that outperforms the PβNDTDTNT:PC71BM‐based device with a moderate PCE of 3.6%.
Heat‐Induced Radiolabeling of Nanoparticles for Monocyte Tracking by PET
Authors: Normandin Marc D. , Yuan Hushan , Wilks Moses Q. , Chen Howard H. , Kinsella Joseph M. , Cho Hoonsung , Guehl Nicolas J. , Absi‐Halabi Nader , Hosseini Seyed Mohammadreza , El Fakhri Georges , Sosnovik David E. , Josephson Lee
Published: September 2015

Heat‐induced radiolabeling (HIR) yielded 89Zr‐Feraheme (FH) nanoparticles (NPs) that were used to determine NP pharmacokinetics (PK) by positron emission tomography (PET). Standard uptake values indicated a fast hepatic uptake that corresponded to blood clearance, and a second, slow uptake process by lymph nodes and spleen. By cytometry, NPs were internalized by circulating monocytes and monocytes in vitro. Using an IV injection of HIR 89Zr‐FH (rather than in vitro cell labeling), PET/PK provided a view of monocyte trafficking, a key component of the immune response.
Bacterial Synthesis of Unusual Sulfonamide and Sulfone Antibiotics by Flavoenzyme‐Mediated Sulfur Dioxide Capture
Authors: Baunach Martin , Ding Ling , Willing Karsten , Hertweck Christian
Published: September 2015

Sulfa drugs, such as sulfonilamide and dapsone, are classical antibiotics that have been in clinical use worldwide. Despite the relatively simple architectures, practically no natural products are known to feature such aromatic sulfonamide or diarylsulfone substructures. We report the unexpected discovery of three fully unprecedented, sulfonyl‐bridged alkaloid dimers (sulfadixiamycins A–C) from recombinant Streptomyces species harboring the entire xiamycin biosynthesis gene cluster. Sulfadixiamycins exhibit moderate antimycobacterial activities and potent antibiotic activities even against multidrug‐resistant bacteria. Gene inactivation, complementation, and biotransformation experiments revealed that a flavin‐dependent enzyme (XiaH) plays a key role in sulfadixiamycin biosynthesis. XiaH mediates a radical‐based, three‐component reaction involving two equivalents of xiamycin and sulfur dioxide, which is reminiscent of radical styrene/SO2 copolymerization.
Protecting‐Group‐Free Enantioselective Synthesis of (−)‐Pallavicinin and (+)‐Neopallavicinin
Authors: Huang Bin , Guo Lei , Jia Yanxing
Published: September 2015

The first enantioselective synthesis of (−)‐pallavicinin and (+)‐neopallavicinin has been achieved in 15 steps. The described synthesis avoids protecting‐group manipulations by synthesis designs predicated on highly chemo‐ and stereoselective transformations. Highlights of the synthesis include a palladium‐catalyzed enantioselective decarboxylative allylation to form the chiral all‐carbon quaternary stereocenter, a palladium‐catalyzed oxidative cyclization to assemble the [3.2.1]‐bicyclic moiety, and an unprecedented LiBHEt3‐induced fragmentation/protonation of an α‐hydroxy epoxide to form the α‐furan ketone with the desired configuration.
Catalytic Asymmetric Iodocyclization of N‐Tosyl Alkenamides using Aminoiminophenoxy Copper Carboxylate: A Concise Synthesis of Chiral 8‐Oxa‐6‐Azabicyclo[3.2.1]octanes
Authors: Arai Takayoshi , Watanabe Ohji , Yabe Shinnosuke , Yamanaka Masahiro
Published: September 2015

A newly developed aminoiminophenoxy copper carboxylate (L7‐Cu‐OAc)‐catalyzed asymmetric iodocyclization of N‐Tosyl alkenamides gave O‐cyclized products in good yields with high enantioselectivity. From the O‐cyclized products, a skeletal transformation was succeeded in the synthesis of biologically important chiral 8‐oxa‐6‐azabicyclo[3.2.1]octanes. DFT calculations suggested that the acetoxy anion of the [L7‐Cu‐OAc] acts as a base to generate the anion of N‐Tosyl alkenamide substrates. The exchanged acetic acid reconstructs a new hydrogen‐bonding network between the catalyst and the substrates to accomplish the highly efficient asymmetric O‐iodocyclization of N‐Tosyl alkenamides.
Catalytic Cyclization of o‐Alkynyl Phenethylamines via Osmacyclopropene Intermediates: Direct Access to Dopaminergic 3‐Benzazepines
Authors: Álvarez‐Pérez Andrea , González‐Rodríguez Carlos , García‐Yebra Cristina , Varela Jesús A. , Oñate Enrique , Esteruelas Miguel A. , Saá Carlos
Published: September 2015

A novel osmium‐catalyzed cyclization of o‐alkynyl phenethylamines to give 3‐benzazepines is reported. The procedure allows the straightforward preparation of a broad range of dopaminergic 3‐benzazepine derivatives. Mechanistic investigations revealed that the process takes place via osmacyclopropene intermediates, which were isolated and characterized by X‐ray crystallography.
Effect of multi‐branched PDLA additives on the mechanical and thermomechanical properties of blends with PLLA
Authors: Torres Lennard , McMahan Colleen , Ramadan Lucas , Holtman Kevin M. , Tonoli Gustavo H. D. , Flynn Allison , Orts William J.
Published: September 2015

Stereocomplex formation between poly(l‐lactic acid) (PLLA) and poly(d‐lactic acid) (PDLA) in the melt state was investigated and altered via the addition of multi‐branched poly(d‐lactide) (PDLA) additives. Two different multi‐branched PDLA additives, a 3‐arm and 4‐arm star‐shaped polymeric structure, were synthesized as potential heat resistance modifiers and incorporated into PLLA at 5, 10, and 20 (w/w) through melt blending. Mechanical and thermomechanical properties of these blends were compared with linear poly(l‐lactide) (PLLA) as well as with blends formed by the addition of two linear PDLA analogs that had similar molecular weights to their branched counterparts. Blends with linear PDLA additives exhibited two distinct melting peaks at 170–180°C and 200–250°C which implied that two distinct crystalline domains were present, that of the homopolymer and that of the stereocomplex, the more stable crystalline structure formed by the co‐crystallization of both d‐ and l‐lactide enantiomers. In contrast, blends of PLLA with multi‐branched PDLA formed a single broad melting peak indicative of mainly formation of the stereocomplex, behavior which was confirmed by X‐ray diffraction (XRD) analysis. The heat deflection temperature determined by thermal mechanical analysis was improved for all blends compared to neat PLLA, with increases of up to180°C for 20% addition of the 3‐arm PLLA additive. Rheological properties of the blends, as characterized by complex viscosity (η*), remained stable over a wide temperature range. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 132, 42858.
Role of the planar cell polarity gene Protein tyrosine kinase 7 in neural tube defects in humans
Authors: Wang Mingqin , De Marco Patrizia , Merello Elisa , Drapeau Pierre , Capra Valeria , Kibar Zoha
Published: September 2015

Background

Neural tube defects (NTDs) are among the most common congenital defects affecting approximately 1 in 1000 live births in North America. Their etiology is complex including environmental and genetic factors. Defects in the planar cell polarity (PCP) signaling pathway have been strongly associated with NTDs in animal models and human cohorts. Protein tyrosine kinase 7 (Ptk7) was shown to cause a very severe form of NTDs called craniorachischisis in a mouse model and genetically interacts with a core PCP member Vangl2 where double heterozygotes suffer from spina bifida. In this study, we examined the role of PTK7 in human NTDs to determine whether variants at this gene predispose to these defects.

Methods

We sequenced the coding region and the exon‐intron junctions of PTK7 in a cohort of 473 patients affected with various forms of open and closed NTDs. Novel and rare variants(<1%) were genotyped in a cohort of 473 individuals. Their pathogenic effect was predicted in silico and functionally in an overexpression assay in a well‐established zebrafish model.

Results

We identified in our cohort 6 rare variants, 3 of which were absent in public databases. One variant, p.Gly348Ser, acted as a hypermorph when overexpressed in the zebrafish model.

Conclusion

We detected potentially pathogenic PTK7 variants in 1.1% of our NTD cohort. Our findings implicate PTK7 as a risk factor for NTDs and provide additional evidence for a pathogenic role of PCP signaling in these malformations. Birth Defects Research (Part A), 103:1021–1027, 2015. © 2015 Wiley Periodicals, Inc.
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

This 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

Knowledge 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

The 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

Biocatalysts 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

A 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

Coinage 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

Adsorption 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

The 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

The 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

In 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

Potential 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

Lignocellulosic 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

Metal‐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

In 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

Reactions 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

An 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.
Electrocatalytic Activation of Silver Nanowires‐modified Pt Electrode by Cyclic Voltammetry in Comparison with Differential Pulse Voltammetry in Halide Determination
Authors: Qin Xia , Miao Zhiying , Du Xin , Chen Qiang
Published: September 2015

Cyclic voltammetric (CV) and differential pulse voltammetric (DPV) measurements were carried out to assess the changes in electrode reactivity in halide determination with a silver nanowire‐modified platinum electrode. With DPV, successive voltammograms of the halide solution revealed progressive deterioration of the oxidation currents corresponding to Br− and Cl−, while those of I− increased largely. Comparatively, CV is stable and effective to remove precipitates due to the reduction process, in which, the concentrated effect alleviated and the amount of AgI decreased. CV was consequently suggested to be favorable for halide determination, while playing a role in electrocatalytic activation of the electrode.