bluuebunny/crossref_metadata_2025 huggingface dataset:
Benjamin’s “Afterlife”: A Productive (?) Mistranslation In Memoriam Daniel Simeoni
Authors: Disler Caroline
Published: February 2013

The concept of “afterlife” constitutes a central theme in Die Aufgabe des Übersetzers, yet the German equivalent to “afterlife” does not appear once in Walter Benjamin’s seminal essay on translation. This article investigates the German term that Benjamin has in fact chosen and examines the highly problematic translation of his idea. Some of the resulting interpretations by translation theorists are presented, along with the potentially deleterious effects on the translation community.
L’impulsivité liée à la consommation et aux pratiques sexuelles chez des jeunes de la rue
Authors: El Khouri Myriam , Gagnon Jean
Published: February 2013

Les jeunes de la rue présentent des comportements à risque liés à la consommation et à des comportements sexuels ayant des implications majeures sur leur santé et leur sécurité. En plus des problèmes de santé mentale, les traits impulsifs de la personnalité peuvent être un facteur de risque important par rapport à plusieurs de ces comportements problématiques.

La présente étude visait d’abord à dresser un portrait des jeunes de la rue, puis à vérifier la valeur de prédiction des traits impulsifs de la personnalité sur les comportements à risque au-delà des problèmes de santé mentale. 31 jeunes de la rue ont été soumis à l’UPPS-P Impulsive Behavior Scale mesurant cinq dimensions de l’impulsivité, ainsi qu’à d’autres instruments mesurant les problèmes de santé mentale (IBS), la consommation d’alcool et de drogues (DÉBA-Alcool/Drogues) et les comportements sexuels à risque (RBS).

Les jeunes de la rue rapportent plusieurs problèmes significatifs de santé mentale, plusieurs problématiques liées à la consommation d’alcool et de drogues, ainsi que plusieurs comportements sexuels à risque. Concernant la valeur de prédiction des traits impulsifs de la personnalité, les analyses de régression démontrent que l’Urgence positive contribue de manière unique à prédiction de la dépendance et des conséquences négatives associées à la consommation d’alcool alors que la Recherche de sensations n’est pas associée de manière significative à aucun des comportements à risque. De plus, seul le manque de Persévérance contribue de manière unique à la prédiction des conséquences négatives associées à la consommation de drogues, alors que seul le manque de Préméditation est associé significativement à la quantité d’alcool consommée. Ces résultats démontrent l’importance d’évaluer et d’intervenir sur les traits impulsifs de la personnalité de manière à augmenter l’efficacité des interventions de prévention des comportements à risque chez les jeunes de la rue.
Raman Spectroscopy of Proteins and Nucleoproteins
Authors: Nemecek Daniel , Stepanek Josef , Thomas George J.
Published: February 2013

A protein Raman spectrum comprises discrete bands representing vibrational modes of the peptide backbone and its side chains. The spectral positions, intensities, and polarizations of the Raman bands are sensitive to protein secondary, tertiary, and quaternary structures and to side‐chain orientations and local environments. In favorable cases, the Raman spectrum serves as an empirical signature of protein three‐dimensional structure, intramolecular dynamics, and intermolecular interactions. Quantitative analysis of Raman spectral series can be further boosted by advanced statistical approaches of factor analysis that allow fitting of specific theoretical models while reducing the amount of analyzed data. Here, the strengths of Raman spectroscopy are illustrated by considering recent applications from the authors' work that address (1) subunit folding and recognition in assembly of the icosahedral bacteriophages, (2) orientations of subunit main chains and side chains in native filamentous viruses, (3) roles of cysteine hydrogen bonding in the folding, assembly, and function of virus structural proteins, and (4) structural determinants of protein/DNA recognition in gene regulatory complexes. Conventional Raman and polarized Raman techniques are surveyed. Curr. Protoc. Protein Sci. 71:17.8.1‐17.8.52. © 2013 by John Wiley & Sons, Inc.
Overview of Current Methods in Sedimentation Velocity and Sedimentation Equilibrium Analytical Ultracentrifugation
Authors: Zhao Huaying , Brautigam Chad A. , Ghirlando Rodolfo , Schuck Peter
Published: February 2013

Modern computational strategies have allowed for the direct modeling of the sedimentation process of heterogeneous mixtures, resulting in sedimentation velocity (SV) size‐distribution analyses with significantly improved detection limits and strongly enhanced resolution. These advances have transformed the practice of SV, rendering it the primary method of choice for most existing applications of analytical ultracentrifugation (AUC), such as the study of protein self‐ and hetero‐association, the study of membrane proteins, and applications in biotechnology. New global multisignal modeling and mass conservation approaches in SV and sedimentation equilibrium (SE), in conjunction with the effective‐particle framework for interpreting the sedimentation boundary structure of interacting systems, as well as tools for explicit modeling of the reaction/diffusion/sedimentation equations to experimental data, have led to more robust and more powerful strategies for the study of reversible protein interactions and multiprotein complexes. Furthermore, modern mathematical modeling capabilities have allowed for a detailed description of many experimental aspects of the acquired data, thus enabling novel experimental opportunities, with important implications for both sample preparation and data acquisition. The goal of the current unit is to describe the current tools for the study of soluble proteins, detergent‐solubilized membrane proteins and their interactions by SV and SE. Curr. Protoc. Protein Sci. 71:20.12.1‐20.12.49. © 2013 by John Wiley & Sons, Inc.
Determining the Conformational Stability of a Protein from Urea and Thermal Unfolding Curves
Authors: Grimsley Gerald R. , Trevino Saul R. , Thurlkill Richard L. , Scholtz J. Martin
Published: February 2013

This unit contains basic protocols for determining the conformational stability of a globular protein from either urea or thermal unfolding curves. Circular dichroism is the optical spectroscopic technique most commonly used to monitor protein unfolding. The protocols describe how to analyze data from an unfolding curve to obtain the thermodynamic parameters necessary to calculate conformational stability, and how to determine differences in stability between protein variants. Curr. Protoc. Protein Sci. 71:28.4.1‐28.4.14. © 2013 by John Wiley & Sons, Inc.
Navigation (economy)
Authors: Davis Dan L.
Published: February 2013

Although seafaring had been practiced in the Mediterranean from as early as the Upper Paleolithic, and probably much earlier, the history of navigation – defined as the art of steering a vessel successfully between landfalls – begins with descriptions of routine coastal and open‐sea voyages in the Homeric epics.
Negotiatores
Authors: Andreau Jean
Published: February 2013

The Latin wordnegotiatoris connected with commerce and trade, but there are debates about its exact meaning.
Nubia
Authors: Manning Joseph , Ruffini Giovanni
Published: February 2013

A region along the Nile river, situated roughly between the first and sixth cataracts of the river.
Oasis Parva
Authors: Colin Frédéric
Published: February 2013

In Roman Egypt, the Greeks used to call Bahariya oasis
Oasis Mikra
(Ptol.
Geogr
. 4.5.38; for the papyrological occurrences, see Calderini 2003: 85; Wagner 1987: 134‐5).
Aristobulus I
Authors: Gera Dov
Published: February 2013

Aristobulus I, also known as Judas, was the son and heir of Hyrcanus I (seeJohn Hyrcanus I).
One‐Pot Oxidative Passerini Reaction of Alcohols Using a Magnetically Recyclable TEMPO under Metal‐ and Halogen‐Free Conditions
Authors: Karimi Babak , Farhangi Elham
Published: February 2013

A novel domino oxidative Passerini three‐component reaction (OP‐3CR) has been successfully developed with either primary or secondary alcohols instead of their corresponding aldehydes or ketones by using a recyclable magnetic core‐shell nanoparticle supported TEMPO (2,2,6,6‐tetramethyl‐piperidin‐1‐oxyl) (MNST, 1). It has been shown that MNST is a highly effective and recyclable catalyst system in the metal‐ and halogen‐free aerobic, oxidative, three‐component Passerini reaction. To the best of our knowledge this method can be considered as the first example of a OP‐3CR of alcohols under metal‐ and halogen‐free reaction conditions. It should be also noted that there has been no precedent example of oxidative OP‐3CR of secondary alcohols to their corresponding α‐acyloxy carboxamides. The catalyst can be magnetically recycled and successfully reused in 14 subsequent reaction cycles with only slight decreases of its catalytic activity.
2‐(1‐Benzotriazolyl)pyridine: A Robust Bidentate Ligand for the Palladium‐Catalyzed CC (Suzuki, Heck, Fujiwara–Moritani, Sonogashira), CN and CS Coupling Reactions
Authors: Verma Akhilesh K. , Jha Rajeev R. , Chaudhary Ritu , Tiwari Rakesh K. , Danodia Abhinandan K.
Published: February 2013

A new class of bidentate ligand, 1‐(pyridine‐2‐yl)‐1H‐benzo[d][1,2,3]triazole has been designed and employed for the palladium‐catalyzed CC (Suzuki, Heck, Fujiwara–Moritani, and Sonogashira), CN and CS coupling reactions. The ligand was found to be inexpensive, thermally stable, easy to synthesize from easily accessible starting materials on a multigram scale, show simplicity in use, and robustness in application, making this ligand effective for different coupling reactions. Suitably, the donor ability of the NN bond of the benzotriazole ring and lone pair of electrons on the N of the pyridine ring enhance the bidentate ability of the ligand.
Ethyl 2‐(tert‐Butoxycarbonyloxyimino)‐2‐cyanoacetate (Boc‐Oxyma) as Coupling Reagent for Racemization‐Free Esterification, Thioesterification, Amidation and Peptide Synthesis
Authors: Thalluri Kishore , Nadimpally Krishna Chaitanya , Chakravarty Maharishi Parasar , Paul Ashim , Mandal Bhubaneswar
Published: February 2013

Here we report the synthesis and utility of ethyl 2‐(tert‐butoxycarbonyloxyimino)‐2‐cyanoacetate (Boc‐Oxyma) as an efficient coupling reagent for racemization‐free esterification, thioesterification, amidation reactions and peptide synthesis that uses equimolar amounts of acids and alcohols, thiols, amines or amino acids, respectively. Its application to solid phase as well as solution phase peptide synthesis is also demonstrated and a mechanistic investigation is discussed. Boc‐Oxyma is similar to the well known coupling agent COMU {1‐[1‐cyano‐2‐ethoxy‐2‐oxoethylideneaminooxy)‐dimethylaminomorpholino]uronium hexafluorophosphate} in terms of its high reactivity and mechanism of action. However, it is not only much easier to prepare, but also to recover and reuse, thereby generating far less chemical waste.
Lewis Acid‐Catalyzed Ring‐Opening Functionalizations of 1,4‐Epoxy‐1,4‐dihydronaphthalenes
Authors: Sawama Yoshinari , Ogata Yuta , Kawamoto Koichi , Satake Hiroyuki , Shibata Kyoshiro , Monguchi Yasunari , Sajiki Hironao , Kita Yasuyuki
Published: February 2013

Since 1,4‐epoxy‐1,4‐dihydronaphthalenes are smoothly converted to 1‐naphthol derivatives via unstable cation intermediates formed by the acid‐catalyzed ring‐opening reaction of the 1,4‐epoxy moiety of 1,4‐epoxy‐1,4‐dihydronaphthalenes, their nucleophilic functionalization using the cation intermediates as an active species is extremely difficult. We have accomplished the Lewis acid‐catalyzed carbon‐carbon and carbon‐nitrogen bond formations associated with the ring‐opening of 1,4‐epoxy‐1,4‐dihydronaphthalenes using nucleophiles such as allyltrimethylsilanes, trimethylsilyl cyanide and trimetylsilyl azide, by using the stabilization effect of the cation intermediate based on the introduction of appropriate substituents into the bridgehead positions of 1,4‐epoxy‐1,4‐dihydronaphthalenes to give the corresponding unique and multifunctionalized naphthalene derivatives. The present reactions could provide excellent regioselective functionalization methods using unsymmetrical substrates, which are quite difficult to achieve using transition metal‐induced procedures.
Efficient Palladium‐Catalyzed CO Hydrogenolysis of Benzylic Alcohols and Aromatic Ketones with Polymethylhydrosiloxane
Authors: Wang Hu , Li Li , Bai Xing‐Feng , Shang Jun‐Yan , Yang Ke‐Fang , Xu Li‐Wen
Published: February 2013

A simple method has been developed for the reductive deoxygenation of aromatic ketones and benzylic alcohols in the presence of polymethylhydrosiloxane (PMHS). The reductive deoxygenation of aromatic ketones and benzylic alcohols, including secondary alcohols, to the corresponding methylene hydrocarbons has been achieved in good to excellent yields using palladium chloride (PdCl2) as catalyst and PMHS as hydride source. Such deoxygenations were successfully with aryl alkyl ketones and diaryl ketones, as exemplified by the reductive deoxygenation of acetophenone and benzopheneone, respectively. The corresponding benzylic alcohols and secondary alcohol analogues could also be converted into their respective methylene hydrocarbons by the PdCl2/PMHS system.
Rhodium(III)‐Catalyzed Annulation of Azomethine Ylides with Alkynes via CH Activation
Authors: Chen Yuye , Wang Fen , Zhen Wencui , Li Xingwei
Published: February 2013

The rhodium(III)‐catalyzed coupling of azomethine ylides with alkynes via CH activation has been developed for the synthesis of indenamines in moderate to high yields. The coupled products can be further oxidized to indenones and derivatives.
A Deacetylation–Diazotation–Coupling Sequence: Palladium‐ Catalyzed CC Bond Formation with Acetanilides as Formal Leaving Groups
Authors: Schmidt Bernd , Berger René
Published: February 2013

Acetanilides can be deacetylated and diazotized in situ, and subsequently used in Pd‐catalyzed coupling reactions without isolation of the diazonium intermediate. Heck reactions, Suzuki cross‐coupling reactions, and a Pd‐catalyzed [2+2+1] cycloaddition have been investigated as terminating CC bond‐forming steps of this one‐flask sequence. The sequence does not require the exchange of solvents or removal of by‐products between the individual steps, but proceeds by addition of reagents and catalysts in due course.
Synthesis of N,N′‐Disulfonylamidines from Sulfonamides and Alkynes by a Two‐Step, One‐Pot Reaction with Nonafluorobutanesulfonyl Azide
Authors: Suárez José Ramón , Kwiczak Joanna , Grenda Katarzyna , Jimeno M. Luisa , Chiara Jose Luis
Published: February 2013

Nonafluorobutanesulfonyl azide is an advantageous alternative to triflyl azide for the efficient synthesis of sulfonyl azides from sulfonamides in terms of its higher reactivity, lower cost, and non‐hazardous nature. The reagent has proven its utility in a novel synthesis of N,N′‐disulfonylamidines from available sulfonamides by a copper‐catalyzed two‐step, one‐pot sequential process with added terminal alkynes.
Synthesis of Functionalized Bicyclic Imines via Intramolecular Azide‐Alkene 1,3‐Dipolar Cycloaddition/Intramolecular Stork Alkylation Cascade Reaction
Authors: de Miguel Irene , Velado Marina , Herradón Bernardo , Mann Enrique
Published: February 2013

A cascade intramolecular azide‐alkene 1,3‐dipolar cycloaddition/Stork alkylation reaction has been developed for the synthesis of functionalized cyclic imines with a pyrroline and piperideine structures, employing readily available ω‐azidodienes.
Cu2‐xS Surface Phases and Their Impact on the Electronic Structure of CuInS2 Thin Films – A Hidden Parameter in Solar Cell Optimization
Authors: Bär Marcus , Klaer Joachim , Weinhardt Lothar , Wilks Regan G. , Krause Stefan , Blum Monika , Yang Wanli , Heske Clemens , Schock Hans‐Werner
Published: February 2013

The surface properties of CuInS2 (CIS) thin‐film solar cell absorbers are investigated by a combination of electron and soft X‐ray spectroscopies. Spatially separated regions of varying colors are observed and identified to be dominated by either CuS or Cu2S surface phases. After their removal by KCN etching, the samples cannot be distinguished by eye and the CIS surface is found to be Cu‐deficient in both regions. However, a significantly more pronounced off‐stoichiometry in the region initially covered by Cu2S can be identified. In this region, the resulting surface band gap is also significantly larger than the EgSurf of the initially CuS‐terminated region. Such variations may represent a hidden parameter which, if overlooked, induces irreproducibility and thus prevents systematic optimization efforts.
Band Gap Control in Diketopyrrolopyrrole‐Based Polymer Solar Cells Using Electron Donating Side Chains
Authors: Hendriks Koen H. , Li Weiwei , Wienk Martijn M. , Janssen René A. J.
Published: February 2013

We compare the opto‐electronic and photovoltaic properties of two diketopyrrolopyrrole (DPP) based semiconducting polymers in which the DPP unit alternates along the chain with a conjugated bis(dithienyl)phenylene (4TP) unit. The two polymers differ only in the solubilizing substituents on the thiophene rings which are either alkyl (PDPP4TP) or alkoxy (PDPP4TOP) groups. We show that alkoxy groups lower the optical band gap and increase the ionization potential compared to the alkyl groups. As a result, PDDP4TOP provides a significantly higher charge generation efficiency and concomitant higher short‐circuit current, 18.0 mA cm−2 vs. 12.4 mA cm−2, compared to PDPP4TP in optimized devices with [6,6]phenyl‐C71‐butyric acid methyl ester ([70]PCBM) as acceptor, but a simultaneous decrease in open circuit voltage, 0.51 vs. 0.67 V. The increased current arises from a higher external quantum efficiency and a wider spectral coverage. The net result is a small increase in power conversion efficiency from 5.8% for PDPP4TP to 6.0% for the PDPP4TOP in optimized devices. The optimized processing conditions and bulk heterojunction morphology are virtually identical for both photoactive layers. The study demonstrates that the side chains enable effective method for rationally designing new photoactive semiconducting polymers.
Simulations of vapor–liquid phase equilibrium and interfacial tension in the CO2–H2O–NaCl system
Authors: Liu Yang , Lafitte Thomas , Panagiotopoulos Athanassios Z. , Debenedetti Pablo G.
Published: February 2013

Direct interfacial molecular dynamics simulations are used to obtain the phase behavior and interfacial tension of CO2–H2O–NaCl mixtures over a broad temperature and pressure range (50°C ≤ T ≤ 250°C, 0 ≤ P ≤ 600 bar) and NaCl concentrations (1–4 mol/kg H2O). The predictive ability of several existing water (SPC and TIP4P2005), carbon dioxide (EPM2 and TraPPE), and sodium chloride (SD and DRVH) models is studied and compared, using conventional Lorentz–Berthelot combining rules for the unlike‐pair parameters. Under conditions of moderate NaCl molality (∼1 mol/kg H2O), the predictions of the CO2 solubility in the water‐rich and CO2‐rich phase resemble those in the CO2–H2O system [Liu et al., J Phys Chem B. 2011;115:6629–6635]. Consistent with our previous work, the TraPPE/TIP4P2005 model combination gives the best overall performance in predicting coexistence composition and pressure in the water‐rich phase. Critical assessments are also made on the ranges of temperature and pressure where particular model combinations work better. The dependence of the interfacial tension on temperature and pressure is better predicted by the TraPPE/TIP4P2005 and EPM2/SPC models, whereas the EPM2/TIP4P2005 model overestimates this property by 10–20%, possibly due to the inadequacy of the combining rules. It is also found that the interfacial tension increases with salt concentration, consistent with experimental observations. © 2013 American Institute of Chemical Engineers AIChE J, 59: 3514–3522, 2013
Restructuring of aggregates and their primary particle size distribution during sintering
Authors: Eggersdorfer Maximilian L. , Pratsinis Sotiris E.
Published: February 2013

During sintering (coalescence) of aggregates of polydisperse primary particles (PPs), restructuring takes place, the average PP size increases and the PP size distribution (PPSD) narrows affecting particle performance in a number of applications. Here, aggregate sintering by viscous flow, lattice, and grain boundary diffusion is simulated by multiparticle discrete element methods focusing on PP growth dynamics and elucidating the detailed restructuring of aggregates during their coalescence. The effect of initial PPSD and sintering mechanisms on the evolution of PP polydispersity (geometric standard deviation) and surface area mean diameter are presented. Each sintering mechanism results in a distinct evolution of PPSD but quite similar growth in average PP diameter. Grain boundary diffusion has the strongest impact among all sintering mechanisms and rapidly results in the narrowest PPSD, as it has the strongest dependence on PP size. During sintering of aggregates with initially monodisperse PPs, the PPSD goes through a maximum width before narrowing again as PPs coalesce. A power law holds between projected aggregate surface area and number of PPs regardless of sintering mechanism and initial PP polydispersity. This law can be readily used in aerosol reactor design and for characterization of aggregates independent of material composition, initial PP polydispersity, and sintering mechanism. © 2013 American Institute of Chemical Engineers AIChE J, 59: 1118–1126, 2013
Talocalcaneal coalition in Muenke syndrome: Report of a patient, review of the literature in FGFR‐related craniosynostoses, and consideration of mechanism
Authors: Agochukwu Nneamaka B. , Solomon Benjamin D. , Benson Laurel J. , Muenke Maximilian
Published: February 2013

Muenke syndrome is an autosomal dominant craniosynostosis syndrome resulting from a defining point mutation in the Fibroblast Growth Factor Receptor3 (FGFR3) gene. Muenke syndrome is characterized by coronal craniosynostosis (bilateral more often than unilateral), hearing loss, developmental delay, and carpal and/or tarsal bone coalition. Tarsal coalition is a distinct feature of Muenke syndrome and has been reported since the initial description of the disorder in the 1990s. Although talocalcaneal coalition is the most common tarsal coalition in the general population, it has never previously been reported in a patient with Muenke syndrome. We present a 7‐year‐old female patient with Muenke syndrome and symptomatic talocalcaneal coalition. She presented at the age of 7 with limping, tenderness and pain in her right foot following a fall and strain of her right foot. She was treated with ibuprofen, shoe inserts, a CAM walker boot, and stretching exercises without much improvement in symptoms. A computed tomography (CT) scan revealed bilateral talocalcaneal coalitions involving the middle facet. She underwent resection of the talocalcaneal coalitions, remaining pain‐free post‐operatively with an improvement in her range of motion, gait, and mobility. This report expands the phenotype of tarsal coalition in Muenke syndrome to include talocalcaneal coalition. A literature review revealed a high incidence of tarsal coalition in all FGFR related craniosynostosis syndromes when compared to the general population, a difference that is statistically significant. The most common articulation involved in all syndromic craniosynostoses associated with FGFR mutations is the calcaneocuboid articulation. © 2013 Wiley Periodicals, Inc.
Microwave curing of epoxy polymers reinforced with carbon nanotubes
Authors: Fotiou Ignatios , Baltopoulos Athanasios , Vavouliotis Antonios , Kostopoulos Vassilis
Published: February 2013

The driver for this study is the observation that heating of carbon nanotubes (CNTs) with electromagnetic field can offer a more efficient and cost‐effective alternative in heat transfer for the production of composites. The idea of this study is twofold; CNT can work as microwave (MW) radiation susceptors and they can act as nanoreinforcements in the final system. To test these assumptions, a household oven was modified to control the curing schedule. Polymers with different CNT concentrations were prepared (0.5 and 1.0 wt %). The dispersion of the CNTs in the epoxy was achieved using shear‐mixing dissolver technique. MW and conventionally cured specimens were also produced in a convection oven for reference. Thermal and mechanical tests were used as control point. A curing schedule investigation was further performed to quantify the energy and time‐saving capabilities using CNT and MWs. The presence of CNTs into epoxy matrix has been proven beneficial for the shortening of the curing time. MW‐cured composites showed the same degree of polymerization with the conventionally cured composites in a shorter time period and this time was reduced as the CNT concentration was increased. A good distribution of the CNT is required to avoid hot spot effects and local degradation. Mechanical performance was, in some cases, favored by the use of CNT. The benefit from the use of MWs and CNT could reach at least 40% in terms of energy needed and time without sacrificing mechanical performance. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013
Description of a Bivalent Cannabinoid Ligand with Hypophagic Properties
Authors: Fernández‐Fernández Cristina , Decara Juan , Bermúdez‐Silva Francisco J. , Sánchez Eva , Morales Paula , Gómez‐Cañas María , Gómez‐Ruíz María , Callado Luis F. , Goya Pilar , Rodríguez de Fonseca Fernando , Martín M. Isabel , Fernández‐Ruíz Javier , Meana J. Javier , Jagerovic Nadine
Published: February 2013

A series of bivalent cannabinoid ligands is proposed. The synthesis of double amides based on the rimonabant structure separated by an alkyl chain and the evaluation of their affinities for cannabinoid receptors are reported. The data of 4d confirmed that a bivalent structure is a suitable scaffold for CB1 cannabinoid receptor binding. The compound 4d was selected for in vitro and in vivo pharmacological evaluations. Moreover, intraperitoneal administration of 4d to food‐deprived rats resulted in a dose‐dependent inhibition of feeding that was maintained up to 240 min.
One‐Pot Stereoselective Synthesis of 2‐Acylaziridines and 2‐Acylpyrrolidines from N‐(Propargylic)hydroxylamines
Authors: Miyamoto Yoshiaki , Wada Norihiro , Soeta Takahiro , Fujinami Shuhei , Inomata Katsuhiko , Ukaji Yutaka
Published: February 2013

The stereoselective direct transformation of N‐(propargylic)hydroxylamines into cis‐2‐acylaziridines was achieved by the combined use of AgBF4 and CuCl. Copper salts were found to promote the transformation of the intermediary 4‐isoxazolines into 2‐acylaziridines and both 3‐aryl‐ and 3‐alkyl‐substituted 2‐acylaziridines could be prepared by using this method. Furthermore, subsequent 1,3‐dipolar cycloaddition of azomethine ylides that were generated in situ from the intermediary 2‐acylaziridines with maleimides was achieved in a stereoselective one‐pot procedure to afford the corresponding 2‐acylpyrrolidines, which consisted of an octahydropyrrolo[3,4‐c]pyrrole skeleton.
Descriptive epidemiology of cleft lip and cleft palate in Western Australia
Authors: Bell Jane C. , Raynes‐Greenow Camille , Bower Carol , Turner Robin M. , Roberts Christine L. , Nassar Natasha
Published: February 2013

Background

The reported birth prevalence of orofacial clefts (OFCs) varies considerably. This study describes the epidemiology of OFCs in an Australian population.

Methods

We studied infants diagnosed with cleft lip, with or without cleft palate (CL±P), and cleft palate only (CPO) since 1980 and reported to the population based Western Australian Register of Developmental Anomalies. We calculated prevalence rates by sex, Aboriginal status, geographic location, and socio‐economic status. Associations between clefts and folate availability, pregnancy characteristics, pregnancy outcomes, other congenital anomalies, and age at diagnosis were also investigated.

Results

From 1980 to 2009, 917 infants with CL±P (12.05 per 10,000) and from 1980 to 2004, 621 infants with CPO (10.12 per 10,000) were registered. Prevalence rates for CL±P and CPO were 1.9 and 1.3 times higher, respectively, for Aboriginal Australians. Additional anomalies were reported for 31% of infants with CL±P and for 61% with CPO; chromosomal anomalies and other specific diagnoses accounted for 46% and 66%, respectively, of those with CL±P and CPO with additional anomalies. Almost all (99.7%) children with CL±P were diagnosed before 1 year of age, but 12% of CPO diagnoses were made after 1 year of age; 94% of these diagnoses were of submucous clefts and bifid uvula.

Conclusions

These data provide a picture of the prevalence of OFCs in WA since 1980, and provide a useful reference for OFC data in Australia and internationally. The quality and completeness of the WARDA data are high, reflected in high prevalence rates, and proportions of clefts occurring with other anomalies. Birth Defects Research (Part A), 2013 © 2013 Wiley Periodicals, Inc.
1,25‐Dihydroxyvitamin D3‐induced intestinal calcium transport is impaired in β‐globin knockout thalassemic mice
Authors: Charoenphandhu Narattaphol , Kraidith Kamonshanok , Teerapornpuntakit Jarinthorn , Thongchote Kanogwun , Khuituan Pissared , Svasti Saovaros , Krishnamra Nateetip
Published: February 2013

Besides being a common haematological disorder caused by a reduction in β‐globin production, β‐thalassemia has been reported to impair body calcium homeostasis, leading to massive bone loss and increased fracture risk. Here, we demonstrated that heterozygous β‐globin knockout thalassemic mice had a lower rate of duodenal calcium absorption compared with the wild‐type littermates, whereas the epithelial electrical parameters, including transepithelial resistance, were not affected, suggesting no change in the epithelial integrity and permeability. Daily subcutaneous injection of 1 µg kg−1 1,25‐dihydroxyvitamin D3 [1,25(OH)2D3] for 3 days enhanced the duodenal calcium absorption in wild‐type, but not in thalassemic mice. Although β‐thalassemia increased the mRNA level of divalent metal transporter‐1, an iron transporter in the duodenum, it had no effect on the transcripts of ferroportin‐1 or the principal calcium transporters. In conclusion, β‐thalassemia impaired the 1,25(OH)2D3‐dependent intestinal calcium absorption at the post‐transcriptional level, which, in turn, contributed to the dysregulation of body calcium metabolism and β‐thalassemia‐induced osteopenia. Copyright © 2013 John Wiley & Sons, Ltd.
Re‐offending in forensic patients released from secure care: The role of antisocial/borderline personality disorder co‐morbidity, substance dependence and severe childhood conduct disorder
Authors: Howard Rick , McCarthy Lucy , Huband Nick , Duggan Conor
Published: February 2013

Background

Research suggests that a particular externalising phenotype, manifested in a developmental trajectory from severe childhood conduct disorder through early‐onset substance abuse to adult antisocial/borderline personality disorder co‐morbidity, may increase risk of antisocial behaviour in general and criminal recidivism in particular.

Aim

This study aims to test the hypothesis that antisocial/borderline co‐morbidity together with the triad of substance dependence, severe conduct disorder and borderline pathology would result in an increased risk of criminal recidivism.

Methods

Fifty‐three men who had been assessed and treated in a secure hospital unit were followed up after they had returned to the community. They were assessed for severity of the following: (i) antisocial personality disorder; (ii) borderline personality disorder; (iii) drug/alcohol dependence; and (iv) high Psychopathy Checklist Revised scores (factors 1 and 2).

Results

Patients with antisocial/borderline co‐morbidity took significantly less time to re‐offend compared with those without such co‐morbidity. Both Psychopathy Checklist Revised factor 2 and the tripartite risk measure significantly predicted time to re‐offence; the former largely accounted for the predictive accuracy of the latter.

Conclusion

Risk of criminal recidivism can be adequately assessed without recourse to the pejorative term ‘psychopath’. It is sufficient to assess the presence of the three elements of our risk measure: borderline and antisocial personality disorders in the context of drug/alcohol dependence and severe childhood conduct disorder.

Practical implications of the study are as follows. (i) Sound assessment of personality, inclusive of a detailed history of childhood conduct disorder as well as adolescent and adult substance misuse, yields good enough information about risk of recidivism without recourse to the pejorative concept of ‘psychopathy’. (ii) Given the high risk of alcohol‐related violence in individuals with antisocial/borderline co‐morbidity, there is a need for specific alcohol‐directed interventions to help such men retain control of their substance use. Copyright © 2013 John Wiley & Sons, Ltd.
Development of a Stepwise Reductive Deoxygenation Process by Ru‐Catalysed Homogeneous Ketone Reduction and Pd‐Catalysed Hydrogenolysis in the Presence of Cu Salts
Authors: Grainger Damian M. , Zanotti‐Gerosa Antonio , Cole Kevin P. , Mitchell David , May Scott A. , Pollock Patrick M. , Calvin Joel R.
Published: February 2013

A stepwise catalytic reduction of ketone 1 to alcohol 2 and subsequently to aryl(imidazo[1,2‐b]pyridazinyl)methane 3 is described, which provides synthetically useful chemoselectivity at acceptably low catalyst loadings. Undesired reactive sites include an aryl chloride, heteroarylchloride and benzylic amine group. The presence of these functional groups presents a significant challenge to chemoselectivity for both reduction steps. For selective CO reduction of highly functionalised 1, high chemoselectivity was observed at low catalyst loading by using Wills’ tethered Ru transfer‐hydrogenation catalyst 13. The selective hydrogenolysis of 2 was then accomplished under acidic hydrogenation conditions by using a Pd/C catalyst in the presence of Cu salts. This procedure has been demonstrated on a multi‐gram scale, which makes this approach a viable method to use a combination of homogeneous and heterogeneous catalysis.
Dendron to Central Core S1–S1 and S2–Sn (n>1) Energy Transfers in Artificial Special Pairs Containing Dendrimers with Limited Numbers of Conformations
Authors: Harvey Pierre D. , Brégier Frédérique , Aly Shawkat M. , Szmytkowski Jędrzej , Paige Matthew F. , Steer Ronald P.
Published: February 2013

Two dendrimers consisting of a cofacial free‐base bisporphyrin held by a biphenylene spacer and functionalized with 4‐benzeneoxomethane (5‐(4‐benzene)tri‐10,15,20‐(4‐n‐octylbenzene)zinc(II)porphyrin) using either five or six of the six available meso‐positions, have been synthesized and characterized as models for the antenna effect in Photosystems I and II. The presence of the short linkers, ‐CH2O‐, and long C8H17 soluble side chains substantially reduces the number of conformers (foldamers) compared with classic dendrimers built with longer flexible chains. This simplification assists in their spectroscopic and photophysical analysis, notably with respect to fluorescence resonance energy transfer (FRET). Both steady‐state and time‐resolved spectroscopic measurements indicate that the cofacial free bases and the flanking zinc(II)–porphyrin antennas act as energy acceptor and donor, respectively, following excitation in either the Q or Soret bands of the dendrimers. The rate constants for singlet electronic energy transfer (kEET) extracted from the S1 and S2 fluorescence lifetimes of the donor in the presence and absence of the acceptor are ≤ (0.1–0.3)×109 and ∼2×109 s−1 for S1→S1 (range from a bi‐exponential decay model) and about 1.5×1012 s−1 for S2→Sn (n>1). Comparisons of these experimental data with those calculated from Förster theory using orientation factors and donor–acceptor distances extracted from computer modeling suggest that a highly restricted number of the many foldamers facilitate energy transfer. These foldamers have the lowest energy by molecular modeling and consist of one or at most two of the flanking zinc porphyrin antennas folded so they lie near the central artificial special pair core with the remaining antennas located almost parallel to and far from it.
A New Class of Remote N‐Heterocyclic Carbenes with Exceptionally Strong σ‐Donor Properties: Introducing Benzo[c]quinolin‐6‐ylidene
Authors: Mayer Ulrich F. J. , Murphy Elliot , Haddow Mairi F. , Green Michael , Alder Roger W. , Wass Duncan F.
Published: February 2013

We make the case for benzo[c]quinolin‐6‐ylidene (1) as a strongly electron‐donating carbene ligand. The facile synthesis of 6‐trifluoromethanesulfonylbenzo[c]quinolizinium trifluoromethanesulfonate (2) gives straightforward access to a useful precursor for oxidative addition to low‐valent metals, to yield the desired carbene complexes. This concept has been achieved in the case of [Mn(benzo[c]quinolin‐6‐ylidene)(CO)5]+ (15) and [Pd(benzo[c]quinolin‐6‐ylidene)(PPh3)2(L)]2+ L=THF (21), OTf (22) or pyridine (23). Attempts to coordinate to nickel result in coupling products from two carbene precursor fragments. The CO IR‐stretching‐frequency data for the manganese compound suggests benzo[c]quinolin‐6‐ylidene is at least as strong a donor as any heteroatom‐stabilised carbene ligand reported.
[Pd(Fmes)2(tmeda)]: A Case of Intermittent CH⋅⋅⋅FC Hydrogen‐Bond Interaction in Solution
Authors: Bartolomé Camino , Villafañe Fernando , Martín‐Alvarez Jose M. , Martínez‐Ilarduya Jesús M. , Espinet Pablo
Published: February 2013

The X‐ray structure of the title compound [Pd(Fmes)2(tmeda)] (Fmes=2,4,6‐tris(trifluoromethyl)phenyl; tmeda=N,N,N′,N′‐tetramethylethylenediamine) shows the existence of uncommon CH⋅⋅⋅FC hydrogen‐bond interactions between methyl groups of the TMEDA ligand and ortho‐CF3 groups of the Fmes ligand. The 19F NMR spectra in CD2Cl2 at very low temperature (157 K) detect restricted rotation for the two ortho‐CF3 groups involved in hydrogen bonding, which might suggest that the hydrogen bond is responsible for this hindrance to rotation. However, a theoretical study of the hydrogen‐bond energy shows that it is too weak (about 7 kJ mol−1) to account for the rotational barrier observed (ΔH≠=26.8 kJ mol−1), and it is the steric hindrance associated with the puckering of the TMEDA ligand that should be held responsible for most of the rotational barrier. At higher temperatures the rotation becomes fast, which requires that the hydrogen bond is continuously being split up and restored and exists only intermittently, following the pulse of the conformational changes of TMEDA.
Kinetics and Reactor Design for N2O Decomposition in the EnviNOx® Process
Authors: Perbandt Christian , Bacher Vanessa , Groves Michael , Schwefer Meinhard , Siefert Rolf , Turek Thomas
Published: February 2013

The kinetics of N2O decomposition over a commercial iron zeolite catalyst was determined in an integral laboratory reactor. The formal kinetic equation developed permits a very good description of the observed rate as a function of temperature and the concentrations of N2O, NO and H2O. The influence of mass transfer phenomena on the reaction rate was investigated experimentally by using different catalyst particle sizes. A reactor model taking into account internal and external mass transfer resistances, axial dispersion and pressure drop was developed. Reactor simulations for different configurations revealed that random packings of catalyst extrudates must be placed in radial‐flow reactors to limit the pressure drop. Honeycomb monolith catalysts are attractive alternative geometries because they allow both better utilization of active material and the design of more compact reactors.
Screening of Catalysts for the Catalytic Cracking of Lignite
Authors: Seitz Mathias , Nowak Sascha , Welscher Julia , Zimmermann Jens , Nägler Thomas , Stam‐Creutz Timo , Frank Willy , Schwieger Wilhelm
Published: February 2013

Für die stoffliche Verwertung von Braunkohle sind in der Vergangenheit unterschiedliche Verfahren entwickelt worden. Eines davon ist die thermische Pyrolyse. In dieser Arbeit wird ein neuer Ansatz aufgezeigt, der den Einsatz von heterogenen Katalysatoren im direkten Kontakt mit der Einsatzkohle verfolgt. Dabei können aliphatische Bestandteile der Braunkohle gespalten und Olefine sowie Aromate erzeugt werden. Ein Katalysatorscreening zeigt, dass zeolithische Materialien für diesen Zweck geeignet sind. Diese können mit vergleichbaren Eigenschaften zur besseren Abtrennung von den Koksrückständen auf Trägermaterialien aufgebracht werden.
KIF5B‐RET fusions in Chinese patients with non–small cell lung cancer
Authors: Cai Weijing , Su Chunxia , Li Xuefei , Fan Lihong , Zheng Limou , Fei Ke , Zhou Caicun
Published: February 2013

BACKGROUND:

It has been established that “ret proto‐oncogene” (RET) fusions are oncogenic drivers in non–small cell lung cancer (NSCLC). The prevalence and clinicopathologic characteristics of RET fusions in Chinese patients with NSCLC remain unclear. The objective of the current study was to determine the prevalence and clinicopathologic characteristics of KIF5B‐RET fusions (fusions of the RET and kinesin family member 5B [KIF5B] genes) in Chinese patients with NSCLC.

METHODS:

The authors screened for KIF5B‐RET fusions in 392 patients with NSCLC using multiplex real‐time polymerase chain reaction assay and validated all positive samples using direct sequencing. The relations between KIF5B‐RET fusions and clinicopathologic characteristics were analyzed.

RESULTS:

In total, 6 patients (1.5%) were identified who harbored KIF5B‐RET fusions. Of these, 4 had adenocarcinoma, 1 had a malignant neuroendocrine tumor, and 1 had squamous cell carcinoma. All patients who were positive for a KIF5B‐RET fusion were never‐smokers. There was no statistically significant difference in age, sex, smoking status, pathologic stage, or histologic type between patients with and without KIF5B‐RET fusions. Patients without KIF5B‐RET fusions had a better prognosis than those with KIF5B‐RET fusions (median survival, 52.6 months vs 21.0 months; P = .06), with a hazard ratio of 2.398 (95% confidence interval, 0.982‐5.856; P = .055) on multivariate analysis. Disease stage (hazard ratio, 2.879) and younger age (<65 years; hazard ratio, 1.485) were identified as independent prognostic factors for better survival.

CONCLUSIONS:

KIF5B‐RET fusions were quite rare, with a prevalence of approximately 1.5% in Chinese patients with NSCLC, and they were a little more common in patients with adenocarcinoma than in those with squamous carcinoma (1.73% vs 0.84%). In addition, KIF5B‐RET fusions also existed in patients with low‐grade malignant neuroendocrine tumors. Cancer 2013. © 2013 American Cancer Society.
Performance analysis of a mobile agent prototype system based on VIRGO P2P protocols
Authors: Jiang Yunliang , Liu Yong , Huang Wenliang , Huang Lican
Published: February 2013

The mobile agent technique has been broadly used in next generation distributed systems. The system performance measurement and simulation are required before the system can be deployed on a large scale. In this paper, we address performance analysis on a finite state mobile agent prototype on the basis of Virtual Hierarchical Tree Grid Organizations (VIRGO). The finite states refer to the migration, execution, and searching of the mobile agent. We introduce a novel evaluation model for the finite state mobile agent. The experimental results based on this evaluation model show that the finite mobile agents can perform well under multiple agent conditions and are superior to the traditional client/server approach. Copyright © 2013 John Wiley & Sons, Ltd.
Contemporary effective population and metapopulation size (Ne and meta‐Ne): comparison among three salmonids inhabiting a fragmented system and differing in gene flow and its asymmetries
Authors: Gomez‐Uchida Daniel , Palstra Friso P. , Knight Thomas W. , Ruzzante Daniel E.
Published: February 2013

We estimated local and metapopulation effective sizes ( and meta‐) for three coexisting salmonid species (Salmo salar, Salvelinus fontinalis, Salvelinus alpinus) inhabiting a freshwater system comprising seven interconnected lakes. First, we hypothesized that might be inversely related to within‐species population divergence as reported in an earlier study (i.e., FST: S. salar> S. fontinalis> S. alpinus). Using the approximate Bayesian computation method implemented in ONeSAMP, we found significant differences in () between species, consistent with a hierarchy of adult population sizes (). Using another method based on a measure of linkage disequilibrium (LDNE: ), we found more finite values for S. salar than for the other two salmonids, in line with the results above that indicate that S. salar exhibits the lowest among the three species. Considering subpopulations as open to migration (i.e., removing putative immigrants) led to only marginal and non‐significant changes in , suggesting that migration may be at equilibrium between genetically similar sources. Second, we hypothesized that meta‐ might be significantly smaller than the sum of local s (null model) if gene flow is asymmetric, varies among subpopulations, and is driven by common landscape features such as waterfalls. One ‘bottom‐up’ or numerical approach that explicitly incorporates variable and asymmetric migration rates showed this very pattern, while a number of analytical models provided meta‐ estimates that were not significantly different from the null model or from each other. Our study of three species inhabiting a shared environment highlights the importance and utility of differentiating species‐specific and landscape effects, not only on dispersal but also in the demography of wild populations as assessed through local s and meta‐s and their relevance in ecology, evolution and conservation.
Synthesis and Reactivity Studies of Dicationic Dihydrogen Complexes Bearing Sulfur‐Donor Ligands: A Combined Experimental and Computational Study
Authors: Gandhi Thirumanavelan , Rajkumar Subramani , Prathyusha V. , Priyakumar U. Deva
Published: February 2013

A series of dihydrogen complexestrans‐[Ru(η2‐H2){SC(SR)H}(dppe)2][X][BF4] (R = CH3, X = OTf; R = C6H5CH2, X = BPh4; R = H2C=CHCH2, X = BPh4; dppe = Ph2PCH2CH2PPh2) bearing sulfur‐donor ligands has been synthesized by protonation of the (alkyl dithioformate)hydrido complexestrans‐[Ru(H){SC(SR)H}(dppe)2][X] by using HBF4·Et2O. Competitive substitution reactions between H2and SC(SR)H intrans‐[Ru(η2‐H2){SC(SR)H}(dppe)2][X][BF4] have been studied by treatment with CH3CN, CO, and P(OCH3)3. These resulted in the expulsion of SC(SR)H from the metal center, thus indicating that the alkyl dithioformate ligand is more labile than H2. Bonding of alkyl dithioformate ligands (sulfur‐donor ligands)transto H2have been studied by comparing the H–H distances and chemical‐shift values (1H NMR spectroscopy) of the various dihydrogen complexes bearing differenttransligands. This study qualitatively suggests that the alkyl dithioformate ligands in thesetrans‐dihydrogen complexes show a poor π effect, and it is further supported by density functional theory calculations. The first example of a dihydrogen complex bearing dithioformic acid,trans‐[Ru(η2‐H2){SC(SH)H}(dppe)2][BF4]2, was obtained by protonation oftrans‐[Ru(H){SC(S)H}(dppe)2] by using HBF4·Et2O.