bluuebunny/crossref_metadata_2025 huggingface dataset:
Adapted GLM gamma parameter estimates for drop size distributions
Authors: Brawn Dan
Published: March 2015

This article outlines an alternative maximum likelihood gamma parameter estimator for grouped and truncated data. Such data might be produced by traditional disdrometer instruments for recording rain drop sizes. The method is an adaptation of a log‐linear generalized linear model (GLM), forming an iterative process which quickly converges to very near maximum likelihood estimates. Simulations with a Joss–Waldvogel bin regime show that the estimator has little bias. Application to observed data from two different types of disdrometers yields results practically equal to published maximum likelihood estimates.
Green Product Innovation: Where we are and Where we are Going
Authors: Dangelico Rosa Maria
Published: March 2015

Green product innovation (GPI) is becoming more and more relevant for policy makers, companies and society as a whole. As a result, over the last few years the number of studies on GPI development has increased substantially, thus prompting the need to analyse and synthesize the results of these studies. With this aim, this study reviews the body of knowledge on the topic. In particular, a systematic review of the literature is conducted, guided by three main research questions. Specifically, this paper identifies the antecedents, the outcomes and the success factors for GPI development. 63 studies are included in the review. Results show that many factors drive the development of GPI, both internal and external to the firm. Among internal factors, the most important are the prospect of competitive advantage, cost reduction, market benefits, improved reputation and opportunities for innovation. Among external factors, the most important are environmental regulations – current and/or expected – and market demand. In terms of outcomes, this study provides evidence that the most relevant ones are cost savings, achievement of competitive advantage, increased market share, increased sales, increased turnover, higher profits, better reputation, increased exports and higher productivity. Finally, this study highlights that many factors can influence the successful development of GPI, such as top management commitment, building networks of collaborations as well as enhancing knowledge flows, both within and outside the firm, cross‐functional integration and development of resources and capabilities. This study provides important implications for companies, policy makers and scholars. Copyright © 2015 John Wiley & Sons, Ltd and ERP Environment
Multidisciplinary neoadjuvant management for potentially curable pancreatic cancer
Authors: Desai Neelam V. , Sliesoraitis Sarunas , Hughes Steven J. , Trevino Jose G. , Zlotecki Robert A. , Ivey Alison M. , George Thomas J
Published: March 2015

Pancreatic adenocarcinoma remains the fourth leading cause of cancer mortality in the U.S. Despite advances in surgical technique, radiotherapy technologies, and chemotherapeutics, the 5‐year survival rate remains approximately 20% for the 15% of patients who are eligible for surgical resection. The majority of this group suffers metastatic recurrence. However, despite advances in therapies for patients with advanced pancreatic cancer, only surgery has consistently proven to improve long‐term survival. Various combinations of chemotherapy, biologic‐targeted therapy, and radiotherapy have been evaluated in different settings to improve outcomes. In this context, a neoadjuvant (preoperative) treatment strategy offers numerous potential benefits: (1) ensuring delivery of early, systemic therapy, (2) improving selection of patients for surgical therapy with truly localized disease, (3) potential downstaging of the neoplasm facilitating a negative margin resection in patients with locally advanced disease, and (4) providing a superior clinical trial mechanism capable of rapid assessment of the efficacy of novel therapeutics. This article reviews the recent trends in the management of pancreatic adenocarcinoma, with a particular emphasis on a multidisciplinary neoadjuvant approach to treatment.
The effects of affective and cognitive elaborations from Facebook posts on consumer attitude formation
Authors: Chen Kuan‐Ju , Kim Jooyoung , Lin Jhih‐Syuan
Published: March 2015

This research investigates the effects of affect and cognition in consumers' information processing of branded content on Facebook pages. A model was suggested to delve into the elaboration process leading to consumer attitude formation. A 2 (purchase‐decision involvement: low versus high) × 2 (product categories: hedonic versus utilitarian) × 2 (sources of Facebook posts: brand posts versus consumer posts) between‐subjects experiment was conducted online. The validated model demonstrates the main effects that affective elaboration significantly supersedes cognitive elaboration in forming attitudes toward the posts and attitudes toward the brand. Post hoc analyses show further evidence of the interaction effects that affective elaboration is the dominant influencer when consumers process brand‐related information in Facebook posts across situations. Theoretical implications for future research and managerial suggestions for social media marketing are discussed. Copyright © 2015 John Wiley & Sons, Ltd.
A New DNA‐Intercalative Cytotoxic Allylic Xanthone from Swertia corymbosa
Authors: Uvarani Chokkalingam , Arumugasamy Karuppannan , Chandraprakash Kumarasamy , Sankaran Mathan , Ata Athar , Mohan Palathurai Subramaniam
Published: March 2015

Phytochemical investigation of the CHCl3 fraction of Swertia corymbosa resulted in the isolation of a new 3‐allyl‐2,8‐dihydroxy‐1,6‐dimethoxy‐9H‐xanthen‐9‐one (1), along with four known xanthones, gentiacaulein (3), norswertianin (4), 1,3,6,8‐tetrahydroxyxanthone (5), and 1,3‐dihydroxyxanthone (6). Structure of compound 1 was elucidated with the aid of IR, UV, NMR, and MS data, and chemical transformation via new allyloxy xanthone derivative (2). Compounds 1–6 exhibited various levels of antioxidant and anti‐α‐glucosidase activities. Absorption and fluorescence spectroscopic studies on 1–6 indicated that these compounds could interact with calf thymus DNA (CT‐DNA) through intercalation and with bovine serum albumin (BSA) in a static quenching process. Compound 1 was found to be significantly cytotoxic against human cancer cell lines HeLa, HCT116, and AGS, and weakly active against normal NIH 3T3 cell line.
Content of Fatty Acids and Phenolics in Coratina Olive Oil from Tunisia: Influence of Irrigation and Ripening
Authors: Dabbou Samia , Dabbou Sihem , Chehab Hechmi , Taticchi Agnese , Servili Maurizio , Hammami Mohamed
Published: March 2015

The quality indices and chemical composition of Coratina olive oil produced in the northern region of Tunisia were evaluated, to determine the effect of three different irrigation regimes of the trees on the olive oils. The olives were sampled at two different stages of maturity, the oils were extracted, and standard methods were used to analyze the composition and quality of the oils. The fatty‐acid contents and quality parameters were only slightly affected by the irrigation regime. The contents of palmitic, oleic, and linoleic acids were above 12, 72, and 8%, respectively, for the second harvest, regardless of the irrigation level of the olive trees. Parameters such as the α‐tocopherol content and the phenolic profile were found to be significantly affected by the harvesting time; however, inconsistent changes were observed for the irrigation regimes, especially for the oil of the second harvest. It was shown that the irrigation conditions of the olive trees as well as the harvesting time of the fruits gave rise to a diverse range of olive oils in Tunisia.
Amending the Anisotropy Barrier and Luminescence Behavior of Heterometallic Trinuclear Linear [MIILnIIIMII] (LnIII=Gd, Tb, Dy; MII=Mg/Zn) Complexes by Change from Divalent Paramagnetic to Diamagnetic Metal Ions
Authors: Das Sourav , Bejoymohandas K. S. , Dey Atanu , Biswas Sourav , Reddy M. L. P. , Morales Roser , Ruiz Eliseo , Titos‐Padilla Silvia , Colacio Enrique , Chandrasekhar Vadapalli
Published: March 2015

The sequential reaction of a multisite coordinating compartmental ligand [2‐(2‐hydroxy‐3‐(hydroxymethyl)‐5‐methylbenzylideneamino)‐2‐methylpropane‐1,3‐diol] (LH4) with appropriate lanthanide salts followed by the addition of [Mg(NO3)2]⋅6 H2O or [Zn(NO3)2]⋅6 H2O in a 4:1:2 stoichiometric ratio in the presence of triethylamine affords a series of isostructural heterometallic trinuclear complexes containing [Mg2Ln]3+ (Ln=Dy, Gd, and Tb) and [Zn2Ln]3+ (Ln=Dy, Gd, and Tb) cores. The formation of these complexes is demonstrated by X‐ray crystallography as well as ESI‐MS spectra. All complexes are isostructural possessing a linear trimetallic core with a central lanthanide ion. The comprehensive studies discussed involve the synthesis, structure, magnetism, and photophysical properties on this family of trinuclear [Mg2Ln]3+ and [Zn2Ln]3+ heterometallic complexes. [Mg2Dy]3+ and [Zn2Dy]3+ show slow relaxation of the magnetization below 12 K under zero applied direct current (dc) field, but without reaching a neat maximum, which is due to the overlapping with a faster quantum tunneling relaxation mediated through dipole–dipole and hyperfine interactions. Under a small applied dc field of 1000 Oe, the quantum tunneling is almost suppressed and temperature and frequency dependent peaks are observed, thus confirming the single‐molecule magnet behavior of complexes [Mg2Dy]3+ and [Zn2Dy]3+.
Big, Strong, Neutral, Twisted, and Chiral π Acids
Authors: Zhao Yingjie , Huang Guangxi , Besnard Celine , Mareda Jiri , Sakai Naomi , Matile Stefan
Published: March 2015

General synthetic access to expanded π‐acidic surfaces of variable size, topology, chirality, and π acidity is reported. The availability of π surfaces with these characteristics is essential to develop the functional relevance of anion–π interactions with regard to molecular recognition, translocation, and transformation. The problem is that, with expanded π surfaces, the impact of electron‐withdrawing substituents decreases and the high π acidity needed for strong anion–π interactions can be more difficult to obtain. To overcome this problem, it is herein proposed to build large surfaces from smaller fragments and connect these fragments with bridges that are composed only of single atoms. Two central surfaces for powerful anion–π interactions, namely, perfluoroarenes and naphthalenediimides (NDIs), were selected as fragments and coupled with through sulfide bridges. Their oxidation to sulfoxides and sulfones, as well as fluorine substitution in the peripheral rings, provides access to the full chemical space of relevant π acidities. According to cyclic voltammetry, LUMO levels range from −3.96 to −4.72 eV. With sulfoxide bridges, stereogenic centers are introduced to further enrich the intrinsic planar chirality of the expanded surfaces. The stereoisomers were separated by chiral HPLC and characterized by X‐ray crystallography. Their topologies range from chairs to π boats, and the latter are reminiscent of the cation–π boxes in operational neuronal receptors. With pentafluorophenyl acceptors, the π acidity of NDIs with two sulfoxide groups in the core reaches −4.45 eV, whereas two sulfone moieties give a value of −4.72 eV, which is as low as with four ethyl sulfone groups, that is, a π superacid near the limit of existence. Beyond anion–π interactions, these conceptually innovative π‐acidic surfaces are also of interest as electron transporters in conductive materials.
Ganzheitliche Analyse dreiphasiger enzymatischer Reaktionssysteme mittels kontinuierlicher Flüssig‐Flüssig‐Phasentrennung
Authors: Zitzewitz Philip , Fieg Georg
Published: March 2015

Die Hydrolyse von Methyloctanoat mittels immobilisierter Candida antarctica Lipase B wurde als beispielhaftes Referenzsystem aus dem Bereich der enzymatischen Flüssig‐Flüssig‐Fest‐Systeme betrachtet. Die experimentelle Untersuchung des Systems erfolgte in einem innovativen Kreislauffestbettreaktor mit kontinuierlicher Flüssig‐Flüssig‐Phasentrennung. Dieser Aufbau erlaubt sowohl einen zwei‐ als auch einen einphasigen Reaktorzulauf. Erstmals erfolgte die ganzheitliche experimentelle Untersuchung beider Betriebsweisen bei verschiedensten Betriebsbedingungen. Neben der Darstellung der experimentellen Ergebnisse werden die Grundzüge der mathematischen Modellierung des Prozesses gezeigt und eine Modellvalidierung vorgenommen.
Two‐level extensions of an artificial hormone system
Authors: Pacher Mathias
Published: March 2015

The ARTIFICIAL HORMONE SYSTEM (AHS) is a decentralized software that is able to allocate tasks in a system of heterogeneous processing elements (PEs). Tasks are allocated according to their suitability for the heterogeneous PEs, the current PE load, and task relationships. The AHS also provides properties like self‐configuration, self‐optimization, and self‐healing in the context of task allocation. In addition, it is able to guarantee real‐time bounds for such self‐X properties. However, using self‐organization principles introduces increased system complexity such as control of system parameters for self‐organization and additional communication effort. In this contribution, we address these problems by using two different two‐level extensions of the AHS: we consider the choice and control of hormone parameters by an observer/controller architecture as first extension of the AHS and a HIERARCHICAL AHS (HAHS) to save communication bandwidth as second extension of the AHS. For the first extension, we use a machine learning approach for gradually learning the hormone values of different tasks. This is a major advance because expert knowledge is needed to configure the AHS up to now. We present an observer/controller architecture as an extension of the AHS to monitor and control its behavior. The user has to provide a simple set of initial rules, and the observer/controller is able to generate new rules if needed. The evaluation of our approach using a benchmark (containing six different types of tasks) shows that the observer/controller is able to match the goals provided by the user, and we discuss it in detail. The second extension is the hierarchical AHS where the PEs of the system consist of several different clusters each of them having its own communication infrastructure, for example, a bus system. The HAHS is able to save communication effort because the broadcast communication of the hormones is limited to the clusters. Nevertheless, it provides the same self‐X properties as the AHS, even the time for self‐configuration is shorter than for the AHS. We present evaluations that show that the HAHS performs better for applications with large numbers of PEs than the AHS. Copyright © 2015 John Wiley & Sons, Ltd.
Common mode voltage reduction of quasi‐Z source indirect matrix converter
Authors: You Xuyang , Ge Baoming , Liu Shuo , Nie Ning , Jiang Xinjian , Abu‐Rub Haitham
Published: March 2015

Quasi‐Z source indirect matrix converter (IMC) combines both advantages of conventional IMC and quasi‐Z source inverter, for example, no direct current (DC) link capacitor, compact all‐silicon power converter, bidirectional power flow, input power factor controllable, and high voltage gain; moreover, it does not require additional input filter, because continuous quasi‐Z source network integrates LC filter function. However, there is no literature to disclose common mode voltage (CMV) issue of quasi‐Z source IMC. In this paper, for the first time, the CMV issue and reduction of quasi‐Z source IMC are investigated. Firstly, the CMV of quasi‐Z source IMC is analyzed when using current typical modulation method, which follows the brief introduction of topology and modulation method for quasi‐Z source IMC, and the factors that affect the CMV are figured out; Secondly, referring to the CMV reduction methods of conventional IMC, two solutions named as Methods I and II to reduce the CMV for quasi‐Z source IMC are developed, which are achieved in the inverter stage; the third CMV reduction method is proposed in the rectifier stage through redefining the six sectors of the rectifier stage, which can implement zero current commutation. Experimental bench is built to test three approaches for reducing the CMV of quasi‐Z source IMC. Comparative evaluation is carried out between three methods and conventional modulation method. Experimental results verify that three methods can significantly reduce the CMV of quasi‐Z source IMC, with the CMV peak value reduction of 42%, but they present different features in terms of input and output current THDs, switching loss, CMV root mean square (RMS) value, modulation index limitation, and so on. Copyright © 2015 John Wiley & Sons, Ltd.
Fate mapping of ptf1a‐expressing cells during pancreatic organogenesis and regeneration in zebrafish
Authors: Wang Yue J. , Park Joon T. , Parsons Michael J. , Leach Steven D.
Published: March 2015

Background: Pancreas development in zebrafish shares many features with mammals, including the participation of epithelial progenitor cells expressing pancreas transcription factor 1a (ptf1a). However, to date it has remained unclear whether, as in mammals, ptf1a‐expressing zebrafish pancreatic progenitors are able to contribute to multiple exocrine and endocrine lineages. To delineate the lineage potential of ptf1a‐expressing cells, we generated ptf1a:creERT2 transgenic fish and performed genetic‐inducible lineage tracing in developmental, regenerating, and ptf1a‐deficient zebrafish pancreas. Results: In addition to their contribution to the acinar cell lineage, ptf1a‐expressing cells give rise to both pancreatic Notch‐responsive‐cells (PNCs) as well as small numbers of endocrine cells during pancreatic development. In fish with ptf1a haploinsufficiency, a higher proportion of ptf1a lineage‐labeled cells are traced into the PNC and endocrine compartments. Further reduction of ptf1a gene dosage converts pancreatic progenitor cells to gall bladder and other non‐pancreatic cell fates. Conclusions: Our results confirm the presence of multipotent ptf1a‐expressing progenitor cells in developing zebrafish pancreas, with reduced ptf1a dosage promoting greater contributions towards non‐acinar lineages. As in mammals, loss of ptf1a results in conversion of nascent pancreatic progenitor cells to non‐pancreatic cell fates, underscoring the central role of ptf1a in foregut tissue specification. Developmental Dynamics 244:724–735, 2015. © 2015 Wiley Periodicals, Inc.
A Copper‐Mediated Oxidative Coupling Route to 3H‐ and 1H‐Indoles from N‐Aryl‐enamines
Authors: Drouhin Pauline , Taylor Richard J. K.
Published: March 2015

A facile copper(II)‐mediated C–H bond oxidation and C–C bond formation procedure has been applied to the synthesis of indole derivatives. Intramolecular oxidative coupling of 3,3‐disubstituted enamines proceeded using a non‐expensive and air‐stable copper salt, Cu(2‐ethylhexanoate)2, to afford the corresponding C‐3 quaternary indolenine products in good to excellent yields. 1H‐Indoles can be prepared in a similar manner but in this case, Cu(OAc)2·H2O has been found to be the preferred oxidant.
DNA damage foci: Meaning and significance
Authors: Rothkamm Kai , Barnard Stephen , Moquet Jayne , Ellender Michele , Rana Zohaib , Burdak‐Rothkamm Susanne
Published: March 2015

The discovery of DNA damage response proteins such as γH2AX, ATM, 53BP1, RAD51, and the MRE11/RAD50/NBS1 complex, that accumulate and/or are modified in the vicinity of a chromosomal DNA double‐strand break to form microscopically visible, subnuclear foci, has revolutionized the detection of these lesions and has enabled studies of the cellular machinery that contributes to their repair. Double‐strand breaks are induced directly by a number of physical and chemical agents, including ionizing radiation and radiomimetic drugs, but can also arise as secondary lesions during replication and DNA repair following exposure to a wide range of genotoxins. Here we aim to review the biological meaning and significance of DNA damage foci, looking specifically at a range of different settings in which such markers of DNA damage and repair are being studied and interpreted. Environ. Mol. Mutagen. 56:491–504, 2015. © Wiley Periodicals, Inc.
The lexicon of geomorphology
Authors: Lewin John
Published: March 2015

The terms geomorphology uses reveal much about its identity, history, perceptions, external inspirations and methods. Current usage also involves unstated ambiguities. The paper critically reviews the origins, development and nature of the lexicon in English: for discretely identified landforms, for landform sets and hierarchies, and for discussing grand theories. These reflect multiple purposes from the genetically diagnostic to the morphologically descriptive, together with the development of purposeful cognitive and hierarchical classifications, and new terminologies used in the modelling of complex emergent systems. Debate as to the changing and multiple meaning of words is a normal outcome. Metaphors, verbal or otherwise, play a large part in conceptualization. Recent terms relate especially to stimulating technological advances in survey, analysis and modelling. There is now resort to the visual as much as to the verbal for model presentations, together with a much‐increased use of initialisms and similar abbreviated word forms. Copyright © 2015 John Wiley & Sons, Ltd.
Mitigation of Cu(II) phytotoxicity to rice (Oryza sativa) in the presence of TiO2 and CeO2 nanoparticles combined with humic acid
Authors: Wang Yi , Peng Cheng , Fang Huaxiang , Sun Lijuan , Zhang Hai , Feng Jiabei , Duan Dechao , Liu Tingting , Shi Jiyan
Published: March 2015

Engineered nanoparticles (NPs) and natural organic matter (NOM) in the environment may interact with background contaminants such as heavy metals and modify their bioavailability and toxicity. In the present study, the combined influences of 2 common NPs (TiO2 and CeO2) and humic acid (HA; as a model NOM) on Cu(II) phytotoxicity to rice were investigated by a 3-d root elongation assay performed on filter paper media. The results showed that the adsorption coefficients of bare TiO2 and CeO2 NPs (100 mg/L) toward Cu2+ are 2.65 and 4.37, respectively, at an initial concentration of 10 mg/L, suggesting that Cu(II) could be strongly adsorbed by NPs, whereas HA-coated TiO2 and CeO2 NPs further enhanced the adsorption coefficients to 4.37 and 6.85, respectively. In addition, compared with Cu-alone treatment, the addition of bare TiO2 and CeO2 NPs (1000 mg/L) increased the length of rice root by 32.5% and 39.0%, respectively; however, the presence of HA-coated TiO2 and CeO2 NPs increased the root length by 90.2% and 100.1%, respectively, which indicated that the mitigation effect of HA-coated NPs on Cu(II) phytotoxicity was more visible than that of bare NPs. The results demonstrated that coexistence of NPs and HA significantly alleviated Cu(II) phytotoxicity as a result of a decrease in bioavailable soluble Cu(II) concentration, which contributes to an understanding of the potential behavior of NPs in the environment. Environ Toxicol Chem 2015;34:1588–1596. © 2015 SETAC
Buoyancy modelling with incompressible SPH for laminar and turbulent flows
Authors: Leroy A. , Violeau D. , Ferrand M. , Joly A.
Published: March 2015

This work aims to model buoyant, laminar or turbulent flows, using a two‐dimensional incompressible smoothed particle hydrodynamics model with accurate wall boundary conditions. The buoyancy effects are modelled through the Boussinesq approximation coupled to a heat equation, which makes it possible to apply an incompressible algorithm to compute the pressure field from a Poisson equation. Based on our previous work [1], we extend the unified semi‐analytical wall boundary conditions to the present model. The latter is also combined to a Reynolds‐averaged Navier–Stokes approach to treat turbulent flows. The k − ϵ turbulence model is used, where buoyancy is modelled through an additional term in the k − ϵ equations like in mesh‐based methods. We propose a unified framework to prescribe isothermal (Dirichlet) or to impose heat flux (Neumann) wall boundary conditions in incompressible smoothed particle hydrodynamics. To illustrate this, a theoretical case is presented (laminar heated Poiseuille flow), where excellent agreement with the theoretical solution is obtained. Several benchmark cases are then proposed: a lock‐exchange flow, two laminar and one turbulent flow in differentially heated cavities, and finally a turbulent heated Poiseuille flow. Comparisons are provided with a finite volume approach using an open‐source industrial code. Copyright © 2015 John Wiley & Sons, Ltd.
Impact of anticoagulation on upper‐gastrointestinal bleeding in cirrhosis. A retrospective multicenter study
Authors: Cerini Federica , Gonzalez Javier Martínez , Torres Ferran , Puente Ángela , Casas Meritxell , Vinaixa Carmen , Berenguer Marina , Ardevol Alba , Augustin Salvador , Llop Elba , Senosiaín Maria , Villanueva Càndid , de la Peña Joaquin , Bañares Rafael , Genescá Joan , Sopeña Júlia , Albillos Agustín , Bosch Jaume , Hernández‐Gea Virginia , Garcia‐Pagán Juan Carlos
Published: March 2015

Recent studies have shown that liver cirrhosis (LC) behaves as an acquired hypercoagulable state with increased thrombotic risk. This is why anticoagulation therapy (AT) is now frequently used in these patients. Variceal bleeding is a severe complication of LC. It is unknown whether AT may impact the outcome of bleeding in these patients. Fifty‐two patients on AT with upper gastrointestinal bleeding (UGIB) were evaluated. Portal vein thrombosis (PVT) and different cardiovascular disorders (CVDs) were the indication for AT in 14 and 38 patients, respectively. Overall, 104 patients with LC and UGIB not under AT matched for severity of LC, age, sex, source of bleeding, and Sequential Organ Failure Assessment (SOFA) score served as controls. UGIB was attributed to portal hypertension (PH) in 99 (63%) patients and peptic/vascular lesions in 57 (37%). Twenty‐six (17%) patients experienced 5‐day failure; SOFA, source of UGIB, and PVT, but not AT, were independent predictors of 5‐day failure. In addition, independent predictors of 6‐week mortality, which was observed in 26 (11%) patients, were SOFA, Charlson Comorbidity index, and use of AT for a CVD. There were no differences between patients with/without AT in needs for rescue therapies, intensive care unit admission, transfusions, and hospital stay. Conclusions: Factors that impact the outcome of UGIB in patients under AT are degree of multiorgan failure and comorbidity, but not AT itself. (Hepatology 2015;62:575–583
Reaction of 3‐Hydroxyquinoline‐2,4‐diones with Inorganic Thiocyanates in the Presence of Ammonium or Alkylammonium Ions: the Unexpected Replacement of a Hydroxy Group by an Amino Group
Authors: Klásek Antonín , Rudolf Ondřej , Rouchal Michal , Lyčka Antonín
Published: March 2015

3‐Hydroxyquinoline‐2,4‐diones react with KSCN in the presence of the NH$\rm{{_{4}^{+}}}$ ions to generate 2,3‐dihydro‐3‐thioxoimidazo[1,5‐c]quinazolin‐5(6H)‐ones, 2,3‐dihydro‐2‐thioxo‐1H‐imidazo[4,5‐c]quinolin‐4(5H)‐ones, and products of molecular rearrangement of the 3‐aminoquinolinedione intermediates. Starting compounds with a benzyl (Bn) group at C(3) afford 3‐aminoquinolinediones, even when only AcONH4 is used. The results of the reaction between 3‐hydroxyquinoline‐2,4‐diones and KSCN in the presence of BuNH2 show that replacing a OH group with a secondary NH2 group is also possible.
Modulation of Reactivities of Dienophiles for DielsAlder Reactions via Complexation of α,β‐Unsaturated Chelating Amides
Authors: Sterk Markus , Bannwarth Willi
Published: March 2015

We describe the modulation of reactivities of dienophiles for DielsAlder reactions via a new principle based on chelating amides positioned adjacent to their CC bond. It is demonstrated for modified acrylic acid derivatives and related dienophiles with three different chelating entities. Complexation of the chelators leads to an intensified electron‐withdrawing effect leading to an enhancement of reactivity in DielsAlder reactions depending on the complexed metal ion. The application of this new approach might be extended to other reactions with reacting entities adjacent to chelating amides.
Cellular localization of uranium in the renal proximal tubules during acute renal uranium toxicity
Authors: Homma‐Takeda Shino , Kitahara Keisuke , Suzuki Kyoko , Blyth Benjamin J. , Suya Noriyoshi , Konishi Teruaki , Terada Yasuko , Shimada Yoshiya
Published: March 2015

Renal toxicity is a hallmark of uranium exposure, with uranium accumulating specifically in the S3 segment of the proximal tubules causing tubular damage. As the distribution, concentration and dynamics of accumulated uranium at the cellular level is not well understood, here, we report on high‐resolution quantitative in situ measurements by high‐energy synchrotron radiation X‐ray fluorescence analysis in renal sections from a rat model of uranium‐induced acute renal toxicity. One day after subcutaneous administration of uranium acetate to male Wistar rats at a dose of 0.5 mg uranium kg–1 body weight, uranium concentration in the S3 segment of the proximal tubules was 64.9 ± 18.2 µg g–1, sevenfold higher than the mean renal uranium concentration (9.7 ± 2.4 µg g–1). Uranium distributed into the epithelium of the S3 segment of the proximal tubules and highly concentrated uranium (50‐fold above mean renal concentration) in micro‐regions was found near the nuclei. These uranium levels were maintained up to 8 days post‐administration, despite more rapid reductions in mean renal concentration. Two weeks after uranium administration, damaged areas were filled with regenerating tubules and morphological signs of tissue recovery, but areas of high uranium concentration (100‐fold above mean renal concentration) were still found in the epithelium of regenerating tubules. These data indicate that site‐specific accumulation of uranium in micro‐regions of the S3 segment of the proximal tubules and retention of uranium in concentrated areas during recovery are characteristics of uranium behavior in the kidney. Copyright © 2015 John Wiley & Sons, Ltd.
Why many semiempirical molecular orbital theories fail for liquid water and how to fix them
Authors: Welborn Matthew , Chen Jiahao , Wang Lee‐Ping , Van Voorhis Troy
Published: March 2015

Water is an extremely important liquid for chemistry and the search for more accurate force fields for liquid water continues unabated. Neglect of diatomic differential overlap (NDDO) molecular orbital methods provide and intriguing generalization of classical force fields in this regard because they can account both for bond breaking and electronic polarization of molecules. However, we show that most standard NDDO methods fail for water because they give an incorrect description of hydrogen bonding, water's key structural feature. Using force matching, we design a reparameterized NDDO model and find that it qualitatively reproduces the experimental radial distribution function of water, as well as various monomer, dimer, and bulk properties that PM6 does not. This suggests that the apparent limitations of NDDO models are primarily due to poor parameterization and not to the NDDO approximations themselves. Finally, we identify the physical parameters that most influence the condensed phase properties. These results help to elucidate the chemistry that a semiempirical molecular orbital picture of water must capture. We conclude that properly parameterized NDDO models could be useful for simulations that require electronically detailed explicit solvent, including the calculation of redox potentials and simulation of charge transfer and photochemistry. © 2015 Wiley Periodicals, Inc.
Butyric acid production from recycled waste paper by immobilized Clostridium tyrobutyricum in a fibrous‐bed bioreactor
Authors: Huang Jin , Dai Hongliang , Yan Ren , Wang Pu
Published: March 2015

BACKGROUND

Recycled waste paper (RWP) has been considered as a low‐cost substrate for cost‐effective production of various biofuels and chemicals. The aim of this work was to utilize the fermentable sugar obtained from RWP, and thus to develop an alternative source of butyric acid to replace the petroleum‐based product.

RESULTS

RWP hydrolysate was successfully utilized for enhanced production of butyric acid in a fibrous‐bed bioreactor (FBB) with a high titer (53.42 g L−1) and high selectivity (43.43 g g−1 butyrate/acetate ratio) in fed‐batch fermentation. A repeated‐batch fermentation process was carried out in which highly consistent butyrate yield (0.41 g g−1 utilized sugar), titer (20.96 g L−1), and productivity (1.62 g L−1 h−1) were achieved, demonstrating a stable and reliable long‐term performance. Glucose and xylose, two major fermentable sugars in RWP hydrolysate, could be simultaneously consumed for butyrate production, providing high substrate utilization efficiency. Moreover, the presence of a metabolic pathway shift from acetate‐forming pathway towards butyrate synthesis was confirmed.

CONCLUSION

High concentration fermentable sugar solutions were obtained from recycled waste paper, and could be utilized successfully for butyric acid production. The results also showed that the process developed was cost‐effective and benign for environmental protection. © 2015 Society of Chemical Industry
Comparative assessment of near‐neutral pH stress corrosion cracking resistance of pipeline steels with different strength
Authors: Jia Y.Z. , Li H. , Hu N.N. , Wang Q.Y. , Wang J.Q.
Published: March 2015

In order to comparatively assess near‐neutral pH stress corrosion cracking (NNpH‐SCC) resistance of pipeline steels with different strength, constant load tests in NS4 solution purged with 5%CO2–N2 gas mixture were conducted on American Petroleum Institute (API) grade X70, X80 and X100 pipeline steels. Experimental results show that pit cracks appeared on the surface of X70 steel and non‐pit cracks appeared on X100 steel. However, for X80 steel both pit cracks and non‐pit cracks were observed, but pit cracks dominated. The near‐neutral pH SCC resistance decreased in the order of X70, X100 and X80 at the same applied stress level.
Corrosion performance of 3%Cr steel in CO2‐H2S environment compared with carbon steel
Authors: Liu W. , Lu S.‐L. , Zhang Y. , Fang Z.‐C. , Wang X.‐M. , Lu M.‐X.
Published: March 2015

Corrosion behavior of 3wt.% Cr low alloy steel in aqueous CO2‐H2S environment was investigated in comparison with API X60 carbon steel using high temperature and high pressure autoclave. The corrosion performance of 3Cr steel was analyzed by XRD, XPS, SEM, EDS and EIS. In CO2‐H2S environment, the corrosion scale of 3Cr steel possessed a triple structure of the outer layer of FeS, the middle layer of FeCO3 and the inner layer of FeCO3, Cr(OH)3 and Cr2O3. FeS mainly formed through the dissolution and re‐deposition from FeCO3. Hydrolytic action of Cr3+ during corrosion affected the formation process of corrosion scale of 3Cr steel. The Cr‐rich layer of the corrosion scale of 3Cr steel blocked the ions transport through corrosion scale to improve corrosion resistance of 3Cr steel. For H2S‐containg CO2 environment, 3Cr steel still exhibited higher corrosion resistance than X60 carbon steel and would be a promising material option in such environment.
The influence of multiple modified MMT on the thermal and fire behavior of poly (lactic acid) nanocomposites
Authors: Liu Jiajia , Zhou Keqing , Wen Panyue , Wang Bibo , Hu Yuan , Gui Zhou
Published: March 2015

This work reported the preparation and physical properties of biodegradable nanocomposites fabricated using polylactic acid (PLA) and multiple organic modified montmorillonite (MMT). In order to improve the chemical compatibility between PLA and Na‐MMT, the surface of Na‐MMT was first organically modified by cetyl trimethyl ammonium bromide (CTAB) and resorcinol bis(diphenyl phosphate) (RDP) using ion‐exchange and adsorption technique. Both Fourier transform infrared and X‐ray diffraction (XRD) results indicated that CTAB and RDP molecules were intercalated into the galleries of MMT sheets to enlarge the interlayer spacing. Then, the PLA/MMT nanocomposites were prepared by a simple melt‐blending method. The XRD and TEM results of the nanocomposites indicated that the PLA polymer chains inserted into the galleries of co‐modified MMT (C‐MMT) and contained disorderedly intercalated layered silicate layers within a PLA matrix. The C‐MMT nanolayers were homogenously dispersed in PLA matrix, resulting in various property enhancement. The fabricated PLA/C‐MMT nanocomposites with 5.0 wt% addition showed significant enhancements (176%) in the storage modulus compared to that of neat PLA. The thermal stability and fire resistance were also remarkably improved. These improvements are probably because of both the physical barrier effect of the MMT nanosheets and charring effect of the C‐MMT. Copyright © 2015 John Wiley & Sons, Ltd.
The Development of a Confined Impact Test for Evaluating the Safety of Polymer‐Bonded Explosives During Warhead Penetration
Authors: Dai Xiaogan , Huang Qian , Huang Fenglei , Li Ming , Wen Yushi , Liu Xuwang
Published: March 2015

During warhead penetration, which lasts several milliseconds, warheads undertake moderate pressures reaching hundreds of MPa. Previous methods have been unable to mimic such stimuli to evaluate the safety of ammunitions. Hence, new safety evaluation methods with moderate pressures and long durations to assess the stability of the explosive charges during actual penetrations are needed. Based on existing explosives safety estimation technologies and preliminary understanding of overload environments during penetration, a confined impact model was developed. The peak stimuli pressure is more than 0.3 GPa and the duration of the pressure is between 1 to 3 milliseconds. Various scales of a polymer‐bonded explosive (PBX‐9) were subjected to this confined impact test to study the response characteristics. The ignition mechanism of PBX‐9 was obtained by synthesizing results from X‐ray photoelectron spectroscopy (XPS), computed tomography (CT) scanning, differential scanning calorimetry (DSC) and thermalgravimetric analysis (TG). It was found that cracks formed on the surface during impact and the initial ignition of PBX‐9 is mainly due to the decomposition of Ammonium perchlorate (AP) and hydroxyl‐terminated polybutadiene (HTPB) on the interface at low temperature. Our study indicates that the designers of the PBX formulation should try to control the early decomposition of AP and HTPB in order to let the PBX survive the penetration.
Structural parameters of the ground states of the quasi‐stable diatomic anions CO−, BF−, and BCl− as obtained by conventional Ab Initio methods
Authors: Magoulas Ilias , Papakondylis Aristotle , Mavridis Aristides
Published: March 2015

The experimental electron affinity (EA) of CO(X1Σ+) is −1.5 eV, signifying the metastability of the CO−(X2Π) anion. The electronic structure and bonding of CO−, BF−, and BCl− vis‐à‐vis their neutral counterparts have been studied by conventional coupled‐cluster (CCSD(T)) and multireference (MRCI) methods. Our results are in agreement with experiment for the CO/CO− system, indicating as well the metastable nature of the BF−(X2Π) and BCl−(X2Π) anions, their MRCI EAs being −0.8 ± 0.1 and −0.3 ± 0.1 eV, respectively. Our work clearly shows the usefulness of stationary state ab initio methods to the elucidation of metastable species. © 2015 Wiley Periodicals, Inc.
Robust attitude controller design for miniature quadrotors
Authors: Liu Hao , Li Danjun , Xi Jianxiang , Zhong Yisheng
Published: March 2015

This paper addresses the robust attitude control problem of miniature quadrotors. A simplified linear dynamical model is obtained for each attitude angle, whereas nonlinear dynamics, interaxis coupling, parameter perturbations, and external disturbances are considered as uncertainties. For each channel, a linear time‐invariant and decoupled robust controller are proposed based on a linear reduced‐order observer and a robust compensator. The observer is applied to estimate the angular velocities, and the robust compensator is introduced for reducing the effects of uncertainties. It is proven that the estimation errors of angular velocities and angular tracking errors can converge to the given neighborhood of the origin in a finite time. Experimental results on the miniature quadrotor are presented to verify the effectiveness of the proposed control approach. Copyright © 2015 John Wiley & Sons, Ltd.
Liquid Absorbability of Iron Ores and Large Limonite Particle Divided Adding Technology in the Sintering Process
Authors: Wu Shengli , Zhang Guoliang
Published: March 2015

Quality of sinter increasingly influences the running‐condition of blast furnance in Asian countries where sinter is the main raw material of BF. While with the gradually decline of iron ore quality, characteristics of iron ore play more and more improtant role on the quality of sinter, so to clarify the influence of high‐temperature characteristics of large iron ore particles on the strength of sinter, liquid absorbability of iron ore particles was proposed and tested, as well as bonding strength tests. Then Large Limonite Particle‐Divided Adding Sinter (LLP‐DAS) was proposed and tested aiming to weaken the negative influence of large limonite particles on the strength of sinter. The results show that great differences of liquid absorbability of iron ores are presented. Iron ores with high porosity and LOI, small grain size, high T.Fe content, and low Al2O3 content have high absorbability. Bonding strength of sinter body decreases with the increase of absorbability of nuclei iron ore because the decrease of effective bonding phase caused by the liquid absorption reaction. In addition, LLP‐DAS presents good performances under the condition of high ratio of limonite in the sintering process, Sinter speed increased 0.9 mm min−1, yield increased 0.5%, and productivity increased 1.3 t m−2 d−1.
Aligning Needs, Expectations, and Learning Outcomes to Sustain Self‐Efficacy Through Transfer Learning Community Programs
Authors: Leptien Jennifer R.
Published: March 2015

This chapter addresses strengths and difficulties encountered in implementing transfer learning community models and how efficacy is supported through transfer learning community programming. Transfer programming best practices and recommendations for program improvements are presented.
Starch‐MMT composite films: Effects of bio‐inspired modification on MMT
Authors: Zhou Min , Xu Dan
Published: March 2015

Montmorillonite (MMT) was modified by bio‐inspired polydopamine (PDA) to obtain an exfoliated structure. Then, the modified MMT (MMT‐D) and the original MMT were incorporated into starch to fabricate individual composite films. MMT lamellae were mostly intercalated in starch, while those of MMT‐D were more likely to be exfoliated and presented better dispersibility, as revealed by the surface morphologies and XRD patterns of the composite films. Although MMT provided greater thermal protection to starch, MMT‐D improved the tensile properties of the composite films more effectively. The composite film containing 2% MMT‐D displayed a tensile strength as high as 8.1 MPa and a Young's modulus as high as 416.4 MPa, which were 2.1 and 3.8 times the values of the pure starch film, respectively. However, the composite films containing MMT had reduced tensile strength and modulus. This study showed that PDA pre‐modification of MMT could improve the performance of starch‐based nanocomposites, thus accelerating their acceptance in food packaging applications.
An empirical evaluation of two theoretically‐based hypotheses on the directional association between self‐worth and hope
Authors: McDavid Lindley , McDonough Meghan H. , Smith Alan L.
Published: March 2015

Fostering self‐worth and hope are important goals of positive youth development (PYD) efforts, yet intervention design is complicated by contrasting theoretical hypotheses regarding the directional association between these constructs. Therefore, within a longitudinal design we tested: (1) that self‐worth predicts changes in hope (self theory; Harter, 1999), and (2) that hope predicts changes in self‐worth (hope theory; Snyder, 2002) over time. Youth (N = 321; Mage = 10.33 years) in a physical activity‐based PYD program completed surveys 37–45 days prior to and on the second day and third‐to‐last day of the program. A latent variable panel model that included autoregressive and cross‐lagged paths indicated that self‐worth was a significant predictor of change in hope, but hope did not predict change in self‐worth. Therefore, the directional association between self‐worth and hope is better explained by self‐theory and PYD programs should aim to enhance perceptions of self‐worth to build perceptions of hope.
Plasmodium falciparum CTP:phosphocholine cytidylyltransferase possesses two functional catalytic domains and is inhibited by a CDP‐choline analog selected from a virtual screening
Authors: Contet Alicia , Pihan Emilie , Lavigne Marina , Wengelnik Kai , Maheshwari Sweta , Vial Henri , Douguet Dominique , Cerdan Rachel
Published: March 2015

Phosphatidylcholine is the major lipid component of the malaria parasite membranes and is required for parasite multiplication in human erythrocytes. Plasmodium falciparum CTP:phosphocholine cytidylyltransferase (PfCCT) is the rate‐limiting enzyme of the phosphatidylcholine biosynthesis pathway and thus considered as a potential antimalarial target. In contrast to its mammalian orthologs, PfCCT contains a duplicated catalytic domain. Here, we show that both domains are catalytically active with similar kinetic parameters. A virtual screening strategy allowed the identification of a drug‐size molecule competitively inhibiting the enzyme. This compound also prevented phosphatidylcholine biosynthesis in parasites and exerted an antimalarial effect. This study constitutes the first step towards a rationalized design of future new antimalarial agents targeting PfCCT.
Shakesperiana
Authors: Halliwell-Phillipps James Orchard
Published: March 2015

James Orchard Halliwell-Phillipps (1820–1889) was an enthusiastic collector of books on Shakespeare (including nearly all the pre-1660 editions) and a respected and prolific scholar of Elizabethan literature. His extensive collection is now housed at Edinburgh University Library. This volume contains a selection of his early writings and includes: 'A catalogue of the early editions of Shakespeare's plays and of the commentaries and other publications illustrative of his works' (1841); 'An account of the only known manuscript of Shakespeare's plays, comprising some important variations and corrections in the Merry Wives of Windsor' (1843); 'An introduction to Shakespeare's Midsummer Night's Dream' (1841); 'On the character of Sir John Falstaff, as originally exhibited by Shakespeare in the two parts of King Henry IV' (1841); 'Curiosities of Modern Shakespearian Criticism' (1853); 'Observations on some of the manuscript emendations of the text of Shakespeare and are they copyright?' (1853).
The History of Westminster Abbey
Authors: Flete John
Published: March 2015

The Dean of Westminster, J. Armitage Robinson (1862–1936), was responsible for the publication of several works about the history of the abbey (his Manuscripts of Westminster Abbey and Gilbert Crispin, Abbot of Westminster are also reissued in this series). This edition of a manuscript history in Latin, written by the monk John Flete (c. 1420–1465) was published in 1909. Robinson's introduction discusses the history of the text, the manuscript sources, the nature of the content (which contains Fleet's transcriptions of charters and other documents) and the reliability of Flete's chronology. The text itself is not translated, but side-notes in English provide an abstract of the narrative, which begins in legendary times with the foundation of the abbey by 'King Lucius' in 184 CE. Flete also describes the appearance of the abbey in his own day, and the ceremonies of national significance which took place in this ancient building.