bluuebunny/crossref_metadata_2025 huggingface dataset:
Rheology of natural fibers thermoplastic compounds: Flow length and fiber distribution
Authors: Ramzy Amna Youssef , El‐Sabbagh Ahmed Mohammed Moneeb , Steuernagel Leif , Ziegmann Gerhard , Meiners Dieter
Published: September 2013

The presented study investigates the flow length and the corresponding fiber content distribution in the injection‐moulded natural fiber reinforced thermoplastics and its relation to fiber type and processing parameters such as injection pressure, temperature, injection rate and mould tempering by increasing die temperature. In this research, polypropylene compounds with nominally 30 wt % hemp and sisal fibers are investigated. The influence of the injection pressure (500 and 1000 bar), melt temperature (180°C, 200°C, and 220°C), and die temperature (23°C and 80°C) on the fiber content distribution all over the sample is investigated. An increasing linear trend of fiber content along the spiral length is observed as an evidence of a fiber/polymer multiflow system. A pattern for fiber content distribution with respect to the fiber length along the injected spiral can be distinguished, where the longer fibers are usually found at the end of the injected part and the shorter fibers remain near mould entrance point. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2014, 131, 39861.
A study of relevance propagation in large topic ontologies
Authors: Xamena Eduardo , Brignole Nélida Beatriz , Maguitman Ana G.
Published: September 2013

Topic ontologies or web directories consist of large collections of links to websites, arranged by topic in different categories. The structure of these ontologies is typically not flat because there are hierarchical and nonhierarchical relationships among topics. As a consequence, websites classified under a certain topic may be relevant to other topics. Although some of these relevance relations are explicit, most of them must be discovered by an analysis of the structure of the ontologies. This article proposes a family of models of relevance propagation in topic ontologies. An efficient computational framework is described and used to compute nine different models for a portion of the Open Directory Project graph consisting of more than half a million nodes and approximately 1.5 million edges of different types. After performing a quantitative analysis, a user study was carried out to compare the most promising models. It was found that some general difficulties rule out the possibility of defining flawless models of relevance propagation that only take into account structural aspects of an ontology. However, there is a clear indication that including transitive relations induced by the nonhierarchical components of the ontology results in relevance propagation models that are superior to more basic approaches.
Calcium Phosphate‐Reinforced Photosensitizer‐Loaded Polymer Nanoparticles for Photodynamic Therapy
Authors: Lee Sang‐Uk , Min Kyung Hyun , Jeong Seo Young , Bae Hojae , Lee Sang Cheon
Published: September 2013

Calcium phosphate‐reinforced photosensitizer‐loaded polymer nanoparticles have been developed for photodynamic therapy. Chlorin e6 (Ce6)‐loaded core–shell–corona polymer micelles of poly(ethylene glycol)‐b‐poly(L‐aspartic acid)‐b‐poly(L‐phenylalanine) (PEG-PAsp-PPhe) were employed as template nanoparticles for mineralization with calcium phosphate (CaP). CaP deposition was performed by the electrostatic localization of calcium ions at the anionic PAsp middle shells and the subsequent addition of phosphate anions. CaP‐reinforced nanoparticles exhibited enhanced stability. The CaP mineral layer effectively inhibited Ce6 release from the Ce6‐loaded mineralized nanoparticles (Ce6‐NP‐CaP) at physiological pH value. At an acidic endosomal pH value of 5.0, Ce6 release was enhanced, owing to rapid dissolution of the CaP minerals. Upon irradiation of Ce6‐NP‐CaP‐treated MCF‐7 breast‐tumor cells, the cell viability dramatically decreased with increasing irradiation time. The phototoxicity of Ce6‐NP‐CaP was much higher than that of free Ce6. Non‐invasive optical‐imaging results indicated that Ce6‐NP‐CaP exhibited enhanced tumor specificity compared with free Ce6 and Ce6‐loaded non‐mineralized polymer nanoparticles (Ce6‐NP).
Jumping the fine LINE between species: Horizontal transfer of transposable elements in animals catalyses genome evolution
Authors: Ivancevic Atma M. , Walsh Ali M. , Kortschak R. Daniel , Adelson David L.
Published: September 2013

Horizontal transfer (HT) is the transmission of genetic material between non‐mating species, a phenomenon thought to occur rarely in multicellular eukaryotes. However, many transposable elements (TEs) are not only capable of HT, but have frequently jumped between widely divergent species. Here we review and integrate reported cases of HT in retrotransposons of the BovB family, and DNA transposons, over a broad range of animals spanning all continents. Our conclusions challenge the paradigm that HT in vertebrates is restricted to infective long terminal repeat (LTR) retrotransposons or retroviruses. This raises the possibility that other non‐LTR retrotransposons, such as L1 or CR1 elements, believed to be only vertically transmitted, can horizontally transfer between species. Growing evidence indicates that the process of HT is much more general across different TEs and species than previously believed, and that it likely shapes eukaryotic genomes and catalyses genome evolution.
Expert Testimony on Eyewitness Evidence: In Search of Common Sense
Authors: Houston Kate A. , Hope Lorraine , Memon Amina , Don Read J.
Published: September 2013

Surveys on knowledge of eyewitness issues typically indicate that legal professionals and jurors alike can be insensitive to factors that are detrimental to eyewitness accuracy. One aim of the current research was to assess the extent to which judges, an under‐represented sample in the extant literature, are aware of factors that may undermine the accuracy and reliability of eyewitness evidence (Study 1). We also sought to assess the knowledge of a jury‐eligible sample of the general public (drawn from the same population as the judges) and compared responses from a multiple choice survey with a scenario‐based, response‐generation survey in order to investigate whether questionnaire format alters the accuracy of responses provided (Study 2). Overall, judges demonstrated a reasonable level of knowledge regarding general eyewitness memory issues. Further, the jury‐eligible general public respondents completing a multiple choice format survey produced more responses consistent with experts than did participants who were required to generate their own responses. The results are discussed in terms of the future training requirements for legal professionals and the ability of jurors to apply the knowledge they have to the legal context. Copyright © 2013 John Wiley & Sons, Ltd.
Rhabdopeptides as Insect‐Specific Virulence Factors from Entomopathogenic Bacteria
Authors: Reimer Daniela , Cowles Kimberly N. , Proschak Anna , Nollmann Friederike I. , Dowling Andrea J. , Kaiser Marcel , Constant Richard ffrench‐ , Goodrich‐Blair Heidi , Bode Helge B.
Published: September 2013

Six novel linear peptides, named “rhabdopeptides”, have been identified in the entomopathogenic bacterium Xenorhabdus nematophila after the discovery of the corresponding rdp gene cluster by using a promoter trap strategy for the detection of insect‐inducible genes. The structures of these rhabdopeptides were deduced from labeling experiments combined with detailed MS analysis. Detailed analysis of an rdp mutant revealed that these compounds participate in virulence towards insects and are produced upon bacterial infection of a suitable insect host. Furthermore, two additional rhabdopeptide derivatives produced by Xenorhabdus cabanillasii were isolated, these showed activity against insect hemocytes thereby confirming the virulence of this novel class of compounds.
Photocatalytic Activity and Selectivity of ZnO Materials in the Decomposition of Organic Compounds
Authors: Lin Feng , Cojocaru Bogdan , Chou Chia‐Ling , Cadigan Christopher A. , Ji Yazhou , Nordlund Dennis , Weng Tsu‐Chien , Zheng Zhifeng , Pârvulescu Vasile I. , Richards Ryan M.
Published: September 2013

ZnO and Li‐doped ZnO photocatalysts were prepared by using a solvothermal method, aided by a supercritical drying technique. The structure and morphology of the photocatalysts were investigated by using SEM, X‐ray diffraction (XRD), UV/Vis and Raman spectroscopy. The photocatalytic activity and selectivity were investigated in the aqueous‐phase photodegradation of methylene blue and phenol as model reactions. Herein, it is reported for the first time that Li doping can lead to significant deactivation of the photocatalytic activity (i.e., decreased oxidization capability) of ZnO materials. The distribution of intermediate products (i.e., selectivity) was also significantly modified in the decomposition of phenol catalyzed by Li‐doped ZnO compared to that catalyzed by ZnO. Photoluminescence (PL) and soft X‐ray absorption spectroscopy (XAS) studies suggested that dopant‐induced surface‐defect states acted as electron–hole combination centers and changed the adsorbate/surface binding, thus causing the deactivation of photocatalytic activity and altering the photocatalytic selectivity in Li‐doped ZnO materials.
Mechanism of Copper(I)‐Catalyzed Allylic Alkylation of Phosphorothioate Esters: Influence of the Leaving Group on α Regioselectivity
Authors: Sheng Wenhao , Wang Mian , Lein Matthias , Jiang Linbin , Wei Wanxing , Wang Jianyi
Published: September 2013

The mechanism of CuI‐catalyzed allylic alkylation and the influence of the leaving groups (OPiv, SPiv, Cl, SPO(OiPr)2; Piv: pivavloyl) on the regioselectivity of the reaction have been explored by using density functional theory (DFT). A comprehensive comparison of many possible reaction pathways shows that [(iPr)2Cu]− prefers to bind first oxidatively to the double bond of the allylic substrate at the anti position with respect to the leaving group, and this is followed by dissociation of the leaving group. If the leaving group is not taken into account, the reaction then undergoes an isomerization and a reductive elimination process to give the α‐ or γ‐selective product. If OPiv, SPiv, Cl, or SPO(OiPr)2 groups are present, the optimal route for the formation of both α‐ and γ‐substituted products changes from the stepwise elimination to the direct process, in which the leaving group plays a stabilizing role for the reactant and destabilizes the transition state. The differences to the energy barrier for the α‐ and γ‐substituted products are 2.75 kcal mol−1 with SPO(OiPr)2, 2.44 kcal mol−1 with SPiv, 2.33 kcal mol−1 with OPiv, and 1.98 kcal mol−1 with Cl, respectively; these values show that α regioselectivity in the allylic alkylation follows a SPO(OiPr)2>SPiv>OPiv>Cl trend, which is in satisfactory agreement with the experimental findings. This trend mainly originates in the differences between the attractive electrostatic forces and the repelling steric interactions of the SPO(OiPr)2, SPiv, OPiv, and Cl groups on the Cu group.
In Silico Design of Heteroaromatic Half‐Sandwich RhI Catalysts for Acetylene [2+2+2] Cyclotrimerization: Evidence of a Reverse Indenyl Effect
Authors: Orian Laura , Wolters Lando P. , Bickelhaupt F. Matthias
Published: September 2013

A mechanistic density functional theory study of acetylene [2+2+2] cyclotrimerization to benzene catalyzed by RhI half metallocenes is presented. The catalyst fragment contains a heteroaromatic ligand, that is, the 1,2‐azaborolyl (Ab) or the 3a,7a‐azaborindenyl (Abi) anions, which are isostructural and isoelectronic to the hydrocarbon cyclopentadienyl (Cp) and indenyl (Ind) anions, respectively, but differ from the last ones on having two adjacent carbon atoms replaced with a boron and a nitrogen atom. The better performance of either the classic hydrocarbon or the heteroaromatic catalysts is found to depend on the different mechanistic paths that can be envisioned for the process. The present analyses uncover and explain general structure–reactivity relationships that may serve as rational design principles. In particular, we provide evidence of a reverse indenyl effect.
Highly Efficient CH Oxidative Activation by a Porous MnIII–Porphyrin Metal–Organic Framework under Mild Conditions
Authors: Xie Ming‐Hua , Yang Xiu‐Li , He Yabing , Zhang Jian , Chen Banglin , Wu Chuan‐De
Published: September 2013

A simple strategy to rationally immobilize metalloporphyrin sites into porous mixed‐metal–organic framework (M′MOF) materials by a metalloligand approach has been developed to mimic cytochrome P450 monooxygenases in a biological system. The synthesized porous M′MOF of [Zn2(MnOH–TCPP)(DPNI)]⋅0.5 DMF⋅EtOH⋅5.5 H2O (CZJ‐1; CZJ=Chemistry Department of Zhejiang University; TCPP=tetrakis(4‐carboxyphenyl)porphyrin); DPNI=N,N′‐di(4‐pyridyl)‐1,4,5,8‐naphthalenetetracarboxydiimide) has the type of doubly interpenetrated cubic α‐Po topology in which the basic Zn2(COO)4 paddle‐wheel clusters are bridged by metalloporphyrin to form two‐dimensional sheets that are further bridged by the organic pillar linker DPNI to form a three‐dimensional porous structure. The porosity of CZJ‐1 has been established by both crystallographic studies and gas‐sorption isotherms. CZJ‐1 exhibits significantly high catalytic oxidation of cyclohexane with conversion of 94 % to the mixture of cyclohexanone (K) and cyclohexanol (A) (so‐called K–A oil) at room temperature. We also provided solid experimental evidence to verify the catalytic reaction that occurred in the pores of the M′MOF catalyst.
Increasing the Structural Span of Alkyne Metathesis
Authors: Persich Peter , Llaveria Josep , Lhermet Rudy , de Haro Teresa , Stade Robert , Kondoh Azusa , Fürstner Alois
Published: September 2013

A new generation of alkyne metathesis catalysts, which are distinguished by high activity and an exquisite functional group tolerance, allows the scope of this transformation to be extended beyond its traditional range. They accept substrates that were previously found problematic or unreactive, such as propargyl alcohol derivatives, electron‐deficient and electron‐rich acetylenes of various types, and even terminal alkynes. Moreover, post‐metathetic transformations other than semi‐reduction increase the structural portfolio, as witnessed by the synthesis of a annulated phenol derivative via ring‐closing alkyne metathesis (RCAM) followed by a transannular gold‐catalyzed Conia‐ene reaction. Further examples encompass a post‐metathetic transannular ketone–alkyne cyclization with formation of a trisubstituted furan, a ruthenium‐catalyzed redox isomerization, and a Meyer–Schuster rearrangement/oxa‐Michael cascade. These reaction modes fueled model studies toward salicylate macrolides, furanocembranolides, and the cytotoxic macrolides acutiphycin and enigmazole A; moreover, they served as the key design elements of concise total syntheses of dehydrocurvularin (27) and the antibiotic agent A26771B (36).
Rational Design, Green Synthesis, and Initial Evaluation of a Series of Full‐Color Tunable Fluorescent Dyes Enabled by the Copper‐Catalyzed N‐Arylation of 6‐Phenyl Pyridazinones and Their Application in Cell Imaging
Authors: Liang Lei , Wang Wei , Wu Jun , Xu Fengrong , Niu Yan , Xu Bo , Xu Ping
Published: September 2013

There is widespread interest in the application, optimization, and evolution of the transition‐metal‐catalyzed arylation of N‐heteroarenes to discover full‐color tunable fluorescent core frameworks. Inspired by the versatile roles of pyridazinone in organic synthesis and medicinal chemistry, herein, we report a simple and efficient copper‐catalyzed cross‐coupling reaction for the N‐functionalization of pyridazinones in neat water. To achieve the efficient conversion of pyridazinones and organic halides in aqueous phase, a series of copper‐salen complexes composed of different Schiff base ligands were investigated by rational design. A final choice of fine‐tuned hydrophilicity balanced with lipophilicity among the candidates was confirmed, which affords excellent activity towards the reaction of a wide range of pyridazinones and organic halides. More importantly, the products as N‐substituted pyridazinones were synthesized rationally by this methodology as full‐color tunable fluorescent agents (426–612 nm). The N2 position of pyridazinones was modified by different aryl group such as benzothiazole, N,N‐dimethylaniline, 3‐quinoline, 4‐isoquinoline and 2‐thiophene, resulting in a series of full‐color tunable fluorescent reagents. Meanwhile, the effects of electron‐donating and electron‐withdrawing groups of the 6‐substituted phenyl ring have also been investigated to optimize the fluorescent properties. These fluorescent core frameworks were studied in several cell lines as fluorescent dyes. Different colors from blue to red were observed by using fluorescence microscopy and confocal microscopy.
Aryl Biphenyl‐3‐ylmethylpiperazines as 5‐HT7 Receptor Antagonists
Authors: Kim Jeeyeon , Kim Youngjae , Tae Jinsung , Yeom Miyoung , Moon Bongjin , Huang Xi‐Ping , Roth Bryan L. , Lee Kangho , Rhim Hyewhon , Choo Il Han , Chong Youhoon , Keum Gyochang , Nam Ghilsoo , Choo Hyunah
Published: September 2013

The 5‐HT7 receptor (5‐HT7R) is a promising therapeutic target for the treatment of depression and neuropathic pain. The 5‐HT7R antagonist SB‐269970 exhibited antidepressant‐like activity, whereas systemic administration of the 5‐HT7R agonist AS‐19 significantly inhibited mechanical hypersensitivity and thermal hyperalgesia. In our efforts to discover selective 5‐HT7R antagonists or agonists, aryl biphenyl‐3‐ylmethylpiperazines were designed, synthesized, and biologically evaluated against the 5‐HT7R. Among the synthesized compounds, 1‐([2′‐methoxy‐(1,1′‐biphenyl)‐3‐yl]methyl)‐4‐(2‐methoxyphenyl)piperazine (28) was the best binder to the 5‐HT7R (pKi=7.83), and its antagonistic property was confirmed by functional assays. The selectivity profile of compound 28 was also recorded for the 5‐HT7R over other serotonin receptor subtypes, such as 5‐HT1R, 5‐HT2R, 5‐HT3R, and 5‐HT6R. In a molecular modeling study, the 2‐methoxyphenyl moiety attached to the piperazine ring of compound 28 was proposed to be essential for the antagonistic function.
Market spiral pricing of cancer drugs
Authors: Light Donald W . , Kantarjian Hagop
Published: September 2013

High patented cancer drug prices are not related to the high cost of development or to the relative benefit of individual drugs over available ones. Several steps could be implemented to reduce these high prices to more acceptable ones.
The Physical Chemist′s Toolbox. by Robert M. Metzger
Authors: Mchedlov‐Petrossyan Nikolay O.
Published: September 2013

John Wiley & Sons 2012, 960 pp., hardcover, € 142.00—ISBN 978‐0‐470‐88925‐1
Priorities and Perceptions for Corporate Social Responsibility: An NGO Perspective
Authors: Skouloudis Antonis , Evangelinos Konstantinos , Malesios Chrisovaladis
Published: September 2013

The concept of corporate social responsibility (CSR) is closely intertwined with increased engagement with stakeholders and integration of their concerns into core business processes. In this respect, stakeholders’ viewpoint of CSR is deemed to be essential in shaping pertinent policies, plans and programs. However, current literature indicates an emphasis on the managerialist perspective whereas insights of non‐business social constituents are considerably underrepresented. This is where this paper seeks to contribute by attempting to examine the non‐governmental organizations’ perceptions of socially responsible business conduct. Findings suggest that NGOs perceptions reflect two dominant views, a progressive viewpoint where socially responsible behavior offers win‐win opportunities and a narrow perspective where wider responsibility is an unfruitful business practice. Nevertheless, different types of NGOs attributed similar importance on a number of socially responsible practices. Copyright © 2013 John Wiley & Sons, Ltd and ERP Environment
Brennpunkt Wohnungspolitik – Positionen zur Wahl
Authors: Becker Marcus
Published: September 2013

Seit Monaten wird in Deutschland wieder über Wohnungsnot und teilweise deutliche Mietpreissteigerungen in Ballungsgebieten debattiert. Gleichzeitig sind die Preise für Wohnimmobilien – vor allem Mietwohnungen – nach einer langen Durststrecke wieder im Aufwind.

Der Wohnungsneubau ist nach langen Jahren der Krise wieder in Gang gekommen. Diese auf den ersten Blick positive Entwicklung darf allerdings nicht darüber hinweg täuschen, dass wir von einem bedarfsdeckenden Fertigstellungsniveau von jährlich mindestens 250.000 neuen Wohnungen (Wohnungen in Einfamilien‐, Zweifamilien‐, Mehrfamilienhäusern) nach wie vor weit entfernt sind.
Bauen in Zeiten der Energiewende
Authors: Hegner Hans‐Dieter
Published: September 2013

Die Energiewende in Deutschland ist besonders geprägt durch die Maßnahmen im Gebäudebereich. Die Bundesregierung setzt dabei auf die Fortentwicklung der ordnungsrechtlichen Instrumente, wie der Energieeinsparverordnung (EnEV), finanzielle Anreize zur Sicherung zukunftsfähiger energetischer Standards und die Entwicklung von Effizienzhäusern Plus. Die Novelle der EnEV setzt insbesondere die überarbeitete EU‐Richtlinie über die Gesamtenergieeffizienz von Gebäuden um. Für den Neubau verschärft die Novelle der EnEV die Anforderungen in zwei Schritten bis 2016 um 25 %. Für den Bestand sind keine Verschärfungen vorgesehen. Das Effizienzhaus‐Programm der Bundesregierung wird derzeit im Rahmen der Forschung um das “Effizienzhaus Plus“ erweitert. Diese Gebäude können mehr Energie erzeugen als sie unter voller Nutzung verbrauchen. Der Energieüberschuss soll unter anderem für den Ausbau der Elektromobilität oder für die Quartiersversorgung zur Verfügung stehen. Erste Modellprojekte zeigen, dass dieses Konzept in der Praxis funktioniert.

Building at a time when Germany is transforming its energy system. A Germany’s new energy strategy is characterized mainly by actions in the buildings sector. The Federal Government’s efforts are focused on evolving regulatory instruments such as the Energy Conservation Regulations (EnEV), on creating financial incentives to guarantee sustainable energy efficiency standards and on developing “efficiency houses plus”. The amendment to the EnEV is in particular the implementation of the recast EC Energy Perfor‐mance of Buildings Directive. It tightens energy efficiency requirements for new buildings in two steps so that by 2016 their energy efficiency is improved by 25 %. It does not provide for stricter requirements for the existing building stock. As part of research, the “efficiency house plus” is currently added to the Federal Government’s efficiency house programme. These buildings are capable of producing more energy than they consume when used at full capac‐ity. The surplus energy is to be used, among other things, to improve electric mobility or to supply a neighbourhood. The first pilot projects have already shown that this strategy works in practice.
Mauerwerkskonstruktionen 2020 aus Sicht der Bauphysik
Authors: Vogdt Frank U.
Published: September 2013

Dem Klimawandel kann mit zwei Strategien begegnet werden: der Vermeidung des Klimawandels und der Anpassung an den Klimawandel. Aus diesen Strategien, die nicht als “Entweder‐oder‐Szenario“ sondern als “Sowohl‐als‐auch‐Szenario“ zu verstehen sind, leiten sich insbesondere Anforderungen an den Wärmeschutz und die Widerstandsfähigkeit gegenüber Extremwetterereignissen ab.

Das Ergebnis des Artikels ist, dass Mauerwerksbauten in besonderem Maße geeignet sind, beide Strategien zu erfüllen: einen Beitrag zur Reduzierung der Umweltwirkungen sowie zur Ressourcenschonung zu vertretbaren Kosten zu leisten und gleichzeitig ohne wesentlichen ökonomischen oder ökologischen Mehraufwand eine Vorsorge durch klimawandelgerechte Konstruktionen zu bieten. Damit erweisen sich Mauerwerkskonstruktionen aus Sicht der Bauphysik auch über 2020 hinausgehend als zukunftsfähig.

Masonry structures in 2020 from the perspective of building physics. The climate change can be met by two strategies: the prevention of the change or the adaption to the change. From these strategies, which are not to be understood as a ‘Either‐or‐scenario’ but as a ‘As‐well‐as‐scenario’, derive particularly requirements for thermal insulation and resistance to extreme weather events.

It is the result of this article, that masonry structures are to a particularly high degree suitable to comply with both strategies: To contribute to the reduction of environmental impacts and the conservation of resources at a reasonable cost while providing constructions which measure up to the challenges of climate change without additional economic or environmental expenses. Thereby from the building physics point of view brickwork constructions prove to be fit for the future well beyond the year 2020.
Tragfähigkeit unbewehrter Mauerwerksscheiben nach DIN EN 1996‐1‐1/NA
Authors: Graubner Carl‐Alexander , Schmitt Michael
Published: September 2013

Dieser Beitrag befasst sich mit der Tragfähigkeit von Aussteifungswänden nach den europäischen normativen Regelungen entsprechend DIN EN 1996‐1‐1/NA [1]. Es wird ein neuartiger Ansatz zur realistischen Modellierung der Schnittgrößenverteilung in Wandscheiben vorgestellt. Weiterhin werden Bemessungsgleichungen in dimensionsloser Darstellung präsentiert, welche die Berechnung und den Vergleich der Tragfähigkeit von Aussteifungsscheiben in einer leicht verständlichen und übersichtlichen Art und Weise ermöglichen. Mit einer umfangreichen Parameterstudie mit üblichen Stein‐Mörtel‐Kombinationen konnten wesentliche Erkenntnisse bezüglich der Relevanz unterschiedlicher Versagensarten gewonnen und daraus Schlussfolgerungen für eine Vereinfachung der in der Praxis notwendigen Nachweise abgeleitet werden.

Carrying capacity of unreinforced shear walls according to DIN EN 1996‐1‐1/NA. This paper deals with the carrying capacity of shear walls subjected to in‐plane loading according to the design regulations of European Standard DIN EN 1996‐1‐1 and German national Annex [1]. A new approach to determine the load effects more realistically is described. Furthermore, by using a dimensionless notation a full set of design equations is presented, which allows for the calculation and comparison of the in‐plane resistance of unreinforced masonry walls in an easy and understandable manner. An extensive parameter study with common stone‐mortar‐combinations was carried out in order to identify the distinctive failure modes and to derive significant simplifications in practical design.
The role of prenatal substance exposure and early adversity on parasympathetic functioning from 3 to 6 years of age
Authors: Conradt Elisabeth , Abar Beau , Sheinkopf Stephen , Lester Barry , Lagasse Linda , Seifer Ronald , Shankaran Seetha , Bada‐Ellzey Henrietta , Bauer Charles , Whitaker Toni , Hinckley Matt , Hammond Jane , Higgins Rosemary
Published: September 2013

We employed latent growth curve analysis to examine trajectories of respiratory sinus arrhythmia (RSA) from 3 to 6 years among children with varying levels of prenatal substance exposure and early adversity. Data were drawn from a prospective longitudinal study of prenatal substance exposure that included 1,121 participants. Baseline RSA and RSA reactivity to an attention‐demanding task were assessed at 3, 4, 5, and 6 years. Overall, there were significant individual differences in the trajectories of RSA reactivity, but not baseline RSA, across development. Greater levels of prenatal substance exposure, and less exposure to early adversity, were associated with increased RSA reactivity at 3 years, but by 6 years, both were associated with greater RSA reactivity. Prenatal substance exposure had an indirect influence through early adversity on growth in RSA reactivity. Results are in support of and contribute to the framework of allostatic load. © 2013 Wiley Periodicals, Inc. Dev Psychobiol 9999: 1–15, 2013.
Subventricular zone cytoarchitecture changes in Autism
Authors: Kotagiri Prasanti , Chance Steven A. , Szele Francis G. , Esiri Margaret M.
Published: September 2013

Autism is thought to be a neurodevelopmental disorder with symptoms developing during neonatal neurogenesis in the subventricular zone (SVZ). Autism associated genes alter SVZ proliferation and cytoarchitecture, yet the response of the human SVZ in autism is unknown. Epilepsy drives neurogenesis in rodents, but it is unclear how epilepsy interacts with autism in SVZ responses. The striatal and septal SVZ derive from separate lineages in rodents and generate different interneuron types. Yet it is unclear if autism unevenly regulates the striatal and septal SVZ. The human SVZ was immunohistochemically examined post‐mortem from individuals with autism (n = 11) and controls (n = 11). Autism showed a lower cell density in the septal, but not striatal, SVZ hypocellular gap only in the absence of epilepsy. There was a decline in septal hypocellular gap cells with age in autism, but no correlation with age in controls. In contrast, PCNA+ cell numbers increased only in autism with epilepsy both in the hypocellular gap and in the ependymal layer on the septal but not striatal side. Ependymal cells also became GFAP immunoreactive in autism irrespective of epilepsy co‐morbidity; however, this only occurred on the striatal side. In examining these questions we also discovered a subset of ependymal, astrocyte ribbon and RMS cells which express PCNA and Ki67, PLP, and α‐tubulin. These results are the first example of a neuropsychiatric disease differentially affecting the septal and striatal SVZ. Altered cell density in the hypocellular gap and proliferation marker expression suggest individuals with autism may follow a different growth‐trajectory. © 2013 Wiley Periodicals, Inc. Develop Neurobiol 74: 25–41, 2014
A Solid‐Solution Approach to Mixed‐Metal Metal–Organic Frameworks – Detailed Characterization of Local Structures, Defects and Breathing Behaviour of Al/V Frameworks
Authors: Kozachuk Olesia , Meilikhov Mikhail , Yusenko Kirill , Schneemann Andreas , Jee Bettina , Kuttatheyil Anusree V. , Bertmer Marko , Sternemann Christian , Pöppl Andreas , Fischer Roland
Published: September 2013

Invited for the cover of this issue is the group of Roland Fischer at Ruhr University Bochum. The cover image shows that the structure/properties of materials vary as the complexity of the framework is increased and different metals are combined in single‐phased MOFs.
Palladium‐Catalyzed Direct Acylation of Ketoximes and Aldoximes from the Alcohol Oxidation Level through C–H Bond Activation
Authors: Sharma Satyasheel , Kim Minyoung , Park Jihye , Kim Mirim , Kwak Jong Hwan , Jung Young Hoon , Oh Joa Sub , Lee Youngil , Kim In Su
Published: September 2013

A highly efficient palladium‐catalyzed oxidative ortho‐acylation of O‐methyl ketoximes and O‐methyl aldoximes with benzylic and aliphatic alcohols from the alcohol oxidation level is described. This protocol potentially provides new opportunities to use readily available alcohols as starting materials for catalytic reactions, and represents a catalytic alternative to transcend the barriers imposed by classical Friedel–Crafts acylation.
The First Total Synthesis of Synparvolide C
Authors: Sabitha Gowravaram , Sandeep AnkiReddy , Rao Allu Senkara , Yadav Jhillu S.
Published: September 2013

The first stereoselective total synthesis of synparvolide C has been accomplished. An acid‐catalyzed epoxide ring‐opening reaction and ring‐closing metathesis (RCM) were used for the cyclic ether and δ‐lactone formation, respectively, to furnish the core structure of the target molecule. These reactions along with a succession of functional group manipulations led to the preparation of the natural product. The spectral and analytical data were used to establish the absolute configuration.
Wittig Reagents as Metallocarbene Precursors: In Situ Generated Monocarbonyl Iodonium Ylides
Authors: Ho Phyllis E. , Tao Jason , Murphy Graham K.
Published: September 2013

A proof of concept study was undertaken to determine the suitability of monocarbonyl iodonium ylides (MCIYs) as metallocarbene precursors. Exposing Wittig reagents to iodosylbenzene results in a pseudo‐Wittig reaction that generates MCIYs in situ. These ylides are intercepted by transition‐metal catalysts to generate metallocarbenes, which then undergo either dimerization or cyclopropanation reactions with a variety of alkenes. Additionally, the reaction between diazoester‐derived metallocarbenes and Wittig reagents afforded cross‐coupling products, illustrating a new type of olefination reaction for phosphonium ylides.
Chiral N‐Fluorodibenzenesulfonimide Analogues for Enantioselective Electrophilic Fluorination and Oxidative Fluorination
Authors: Zhu Chuan‐Le , Maeno Mayaka , Zhang Fa‐Guang , Shigehiro Taiki , Kagawa Takumi , Kawada Kosuke , Shibata Norio , Ma Jun‐An , Cahard Dominique
Published: September 2013

This work describes the design, synthesis, and application of de novo chiral fluorinating agents as analogues of popular N‐fluorodibenzenesulfonimide (NFSI). The fluorination step by means of elemental fluorine is presented. Enantioselective fluorination is demonstrated in cyclic β‐keto esters and in the synthesis of BMS‐204352 (up to 86 % ee). Oxidative aminofluorination is also examined.
Joule heating effects on particle immobilization in insulator‐based dielectrophoretic devices
Authors: Gallo‐Villanueva Roberto C. , Sano Michael B. , Lapizco‐Encinas Blanca H. , Davalos Rafael V.
Published: September 2013

In this work, the temperature effects due to Joule heating obtained by application of a direct current electric potential were investigated for a microchannel with cylindrical insulating posts employed for insulator‐based dielectrophoresis. The conductivity of the suspending medium, the local electric field, and the gradient of the squared electric field, which directly affect the magnitude of the dielectrophoretic force exerted on particles, were computationally simulated employing COMSOL Multiphysics. It was observed that a temperature gradient is formed along the microchannel, which redistributes the conductivity of the suspending medium leading to an increase of the dielectrophoretic force toward the inlet of the channel while decreasing toward the outlet. Experimental results are in good agreement with simulations on the particle‐trapping zones anticipated. This study demonstrates the importance of considering Joule heating effects when designing insulator‐based dielectrophoresis systems.
Synthesis of uniform core–shell gelatin–alginate microparticles as intestine‐released oral delivery drug carrier
Authors: Huang Keng‐Shiang , Yang Chih‐Hui , Kung Chao‐Ping , Grumezescu Alexandru Mihai , Ker Ming‐Dou , Lin Yung‐Sheng , Wang Chih‐Yu
Published: September 2013

A core–shell gelatin–alginate composite used for intestine‐released oral delivery drug carrier was synthesized through microfluidic technique. At the fixed continuous phase flow rate, the size of the core–shell gelatin–alginate microparticles increases with the dispersed phase flow rate, and monodispersity can be retained (the variation coefficient for the diameter distribution can be kept less than 10%). The fabricated microparticles could remain intact in gastric juice for at least 3 h, indicating that the gelatin core could be well protected by alginate shell in acid environment. However, the alginate shell of the microparticles would swell or collapse in alkali environment in half an hour, assuring the controlled drug release in intestinal juice. The fabricated uniform core–shell gelatin–alginate microparticles were potential as pH‐responsive drug carriers.
Determination of lipophilicity of γ‐butyrolactone derivatives with anticonvulsant and analgesic activity using micellar electrokinetic chromatography
Authors: Bajda Marek , Guła Aleksandra , Więckowski Krzysztof , Malawska Barbara
Published: September 2013

The lipophilicity of a library of 30 derivatives of dihydrofuran‐2(3H)‐one (γ‐butyrolactone) was determined by MEKC. Calibration curve prepared for ten reference drugs enabled to calculate partition coefficient (log P) for novel compounds. The results of MEKC analysis were compared with lipophilicity coefficients determined by RP‐TLC (RM0) and computational (Mlog P, Clog P) methods. Good correlation was observed between the results obtained by both experimental methods: the MEKC parameters log k and relative lipophilicity RMO. The relationship between determined log P values and results of the computational prediction was weaker. Analysis of the relationship between lipophilicity and anticonvulsant activity showed statistically significant differences between mean values of log P coefficients for group of active (2.18) and inactive (1.51) compounds in the maximal electroshock test.
Effects of Different Surfactants on the Kinetics of Ethane‐Hydrate Formation: Experimental and Modeling Studies
Authors: Karimi Reza , Varaminian Farshad , Izadpanah Amir A. , Mohammadi Amir H.
Published: September 2013

An experimental study of the ethane‐hydrate‐formation kinetics has been performed. First, the effects of stirring velocity and initial pressure on the hydrate‐formation rate were investigated. Second, the effects of additives on the ethane‐hydrate‐formation rate were also studied. Three surfactants, namely sodium dodecylbenzenesulfonate (SDBS), dodecyl trimethyl ammonium bromide (DTAB), and TritonX‐100 (TX‐100) were tested. The results show that DTAB not only does not significantly promote the hydrate‐formation rate at different concentrations, but actually inhibits the ethane‐hydrate‐formation rate, whereas SDBS does increase the hydrate‐formation rate. Furthermore, TX‐100 increases the ethane‐hydrate‐formation rate, but to a lesser degree than SDBS.
Effects of a chronic lower range of triclosan exposure on a stream mesocosm community
Authors: Nietch Christopher T. , Quinlan Erin L. , Lazorchak James M. , Impellitteri Christopher A. , Raikow David , Walters David
Published: September 2013

Triclosan (5-chloro-2-(2,4-dichlorophenoxy)phenol) is an antimicrobial found in consumer soaps and toothpaste. It is in treated wastewater effluents at low parts-per-billion concentrations, representing a potentially chronic exposure condition for biota inhabiting receiving streams. For the present study, a naturally colonized benthos was created using flow-through indoor mesocosms; then, the benthic communities were dosed to achieve different in-stream triclosan concentrations (control, 0.1 µg/L, 0.5 µg/L, 1.0 µg/L, 5.0 µg/L, and 10 µg/L) for 56 d. Water quality parameters and endpoints from bacteria to macroinvertebrates, as well as interacting abiotic components, were measured. Effects of triclosan on specific microbial endpoints were observed at all doses, including an effect on litter decomposition dynamics at doses of 1.0 µg/L and higher. Resistance of periphytic bacteria to triclosan significantly increased at doses of 0.5 µg/L and above. By the end of dosing, the antimicrobial appeared to stimulate the stream periphyton at the 3 lowest doses, while the 2 highest doses exhibited decreased stocks of periphyton, including significantly lower bacteria cell densities and cyanobacteria abundance compared with the control. Other than an effect on benthic ostracods, the changes that occurred in the periphyton did not translate to significant change in the colonizing nematodes, the macroinvertebrate community as a whole, or other measurements of stream function. The results shed light on the role a low, chronic exposure to triclosan may play in effluent-dominated streams. Environ Toxicol Chem 2013;32:2874–2887. © 2013 SETAC
An efficient implicit‐explicit adaptive time stepping scheme for multiple‐time scale problems in shear zone development
Authors: So Byung‐Dal , Yuen David A. , Lee Sang‐Mook
Published: September 2013

Problems associated with shear zone development in the lithosphere involve features of widely different time scales, since the gradual buildup of stress leads to rapid and localized shear instability. These phenomena have a large stiffness in time domain and cannot be solved efficiently by a single time‐integration scheme. This conundrum has forced us to use an adaptive time‐stepping scheme, in particular, the adaptive time‐stepping scheme (ATS) where the former is adopted for stages of quasi‐static deformation and the latter for stages involving short time scale nonlinear feedback. To test the efficiency of this adaptive scheme, we compared it with implicit and explicit schemes for two different cases involving: (1) shear localization around the predefined notched zone and (2) asymmetric shear instability from a sharp elastic heterogeneity. The ATS resulted in a stronger localization of shear zone than the other two schemes. We report that usual implicit time step strategy cannot properly simulate the shear heating due to a large discrepancy between rates of overall deformation and instability propagation around the shear zone. Our comparative study shows that, while the overall patterns of the ATS are similar to those of a single time‐stepping method, a finer temperature profile with greater magnitude can be obtained with the ATS. The ability to model an accurate temperature distribution around the shear zone may have important implications for more precise timing of shear rupturing.
Reappraisal of the anatomical landmarks of motor and premotor cortical regions for image‐guided brain navigation in TMS practice
Authors: Ahdab Rechdi , Ayache Samar S. , Farhat Wassim H. , Mylius Veit , Schmidt Sein , Brugières Pierre , Lefaucheur Jean‐Pascal
Published: September 2013

Image‐guided navigation systems dedicated to transcranial magnetic stimulation (TMS) have been recently developed and offer the possibility to visualize directly the anatomical structure to be stimulated. Performing navigated TMS requires a perfect knowledge of cortical anatomy, which is very variable between subjects. This study aimed at providing a detailed description of sulcal and gyral anatomy of motor cortical regions with special interest to the inter‐individual variability of sulci. We attempted to identify the most stable structures, which can serve as anatomical landmarks for motor cortex mapping in navigated TMS practice. We analyzed the 3D reconstruction of 50 consecutive healthy adult brains (100 hemispheres). Different variants were identified regarding sulcal morphology, but several anatomical structures were found to be remarkably stable (four on dorsoventral axis and five on rostrocaudal axis). These landmarks were used to define a grid of 12 squares, which covered motor cortical regions. This grid was used to perform motor cortical mapping with navigated TMS in 12 healthy subjects from our cohort. The stereotactic coordinates (x‐y‐z) of the center of each of the 12 squares of the mapping grid were expressed into the standard Talairach space to determine the corresponding functional areas. We found that the regions whose stimulation produced almost constantly motor evoked potentials mainly correspond to the primary motor cortex, with rostral extension to premotor cortex and caudal extension to posterior parietal cortex. Our anatomy‐based approach should facilitate the expression and the comparison of the results obtained in motor mapping studies using navigated TMS. Hum Brain Mapp 35:2435–2447, 2014. © 2013 Wiley Periodicals, Inc.
Effect of baseline cannabis use and working‐memory network function on changes in cannabis use in heavy cannabis users: A prospective fMRI study
Authors: Cousijn Janna , Wiers Reinout W. , Ridderinkhof K. Richard , van den Brink Wim , Veltman Dick J. , Goudriaan Anna E.
Published: September 2013

Theoretical models of addiction suggest that a substance use disorder represents an imbalance between hypersensitive motivational processes and deficient regulatory executive functions. Working‐memory (a central executive function) may be a powerful predictor of the course of drug use and drug‐related problems. Goal of the current functional magnetic resonance imaging study was to assess the predictive power of working‐memory network function for future cannabis use and cannabis‐related problem severity in heavy cannabis users. Tensor independent component analysis was used to investigate differences in working‐memory network function between 32 heavy cannabis users and 41 nonusing controls during an N‐back working‐memory task. In addition, associations were examined between working‐memory network function and cannabis use and problem severity at baseline and at 6‐month follow‐up. Behavioral performance and working‐memory network function did not significantly differ between heavy cannabis users and controls. However, among heavy cannabis users, individual differences in working‐memory network response had an independent effect on change in weekly cannabis use 6 months later (ΔR2 = 0.11, P = 0.006, f2 = 0.37) beyond baseline cannabis use (ΔR2 = 0.41) and a behavioral measure of approach bias (ΔR2 = 0.18): a stronger network response during the N‐back task was related to an increase in weekly cannabis use. These findings imply that heavy cannabis users requiring greater effort to accurately complete an N‐back working‐memory task have a higher probability of escalating cannabis use. Working‐memory network function may be a biomarker for the prediction of course and treatment outcome in cannabis users. Hum Brain Mapp 35:2470–2482, 2014. © 2013 Wiley Periodicals, Inc.
A Comparison of Calcium to Zoledronic Acid for Improvement of Cortical Bone in an Animal Model of CKD
Authors: Moe Sharon M , Chen Neal X , Newman Christopher L , Gattone Vincent H , Organ Jason M , Chen Xianming , Allen Matthew R
Published: September 2013

Patients with chronic kidney disease (CKD) have increased risk of fractures, yet the optimal treatment is unknown. In secondary analyses of large randomized trials, bisphosphonates have been shown to improve bone mineral density and reduce fractures. However, bisphosphonates are currently not recommended in patients with advanced kidney disease due to concern about oversuppressing bone remodeling, which may increase the risk of developing arterial calcification. In the present study we used a naturally occurring rat model of CKD with secondary hyperparathyroidism, the Cy/+ rat, and compared the efficacy of treatment with zoledronic acid, calcium given in water to simulate a phosphate binder, and the combination of calcium and zoledronic acid. Animals were treated beginning at 25 weeks of age (approximately 30% of normal renal function) and followed for 10 weeks. The results demonstrate that both zoledronic acid and calcium improved bone volume by micro–computed tomography (µCT) and both equally suppressed the mineral apposition rate, bone formation rate, and mineralizing surface of trabecular bone. In contrast, only calcium treatment with or without zoledronic acid improved cortical porosity and cortical biomechanical properties (ultimate load and stiffness) and lowered parathyroid hormone (PTH). However, only calcium treatment led to the adverse effects of increased arterial calcification and fibroblast growth factor 23 (FGF23). These results suggest zoledronic acid may improve trabecular bone volume in CKD in the presence of secondary hyperparathyroidism, but does not benefit extraskeletal calcification or cortical biomechanical properties. Calcium effectively reduces PTH and benefits both cortical and trabecular bone yet increases the degree of extra skeletal calcification. © 2014 American Society for Bone and Mineral Research.