bluuebunny/crossref_metadata_2025_split huggingface dataset:
Quantitative determination of oxidative defects on single walled carbon nanotubes
Authors: Jung Adrian , Graupner Ralf , Ley Lothar , Hirsch Andreas 
Published: September 2006

AbstractA large variety of functional groups (i.e. carboxyl, carbonyl, aldehyde, alcohol) – representing the different oxidation states of carbon – can be produced by oxidative treatment of single walled carbon nanotubes (SWCNTs), depending on duration and temperature of the process. For subsequent functionalization steps it is essential to know the quantitative amount of the functional groups being converted in a chemical reaction. X‐Ray Photoelectron Spectroscopy (XPS) proved to be a useful tool for such determination. Here, the asymmetry of the C1s core level in SWCNTs and the unknown peak positions of the functional groups prevented a detailed analysis of the produced oxidized carbon species. In this work we present an effective method to overcome this problem using XPS correlated with ab‐initio calculations of the Mulliken charges in functionalized SWCNTs. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Influence of exciton distribution on external quantum efficiency in bilayer organic solar cells
Authors: Breyer Ch. , Vogel M. , Mohr M. , Johnev B. , Fostiropoulos K. 
Published: September 2006

AbstractThe spatially resolved photogeneration of excitons in bilayer organic solar cells (OSC) was simulated by a detailed optical model. A layering scheme involving up to six different ultrathin films on the substrate was taken into account, including the optical constants, interference effects and resulting standing waves. Thus a strong dependency of local exciton generation on the specific geometry and the wavelength was shown. To determine the distribution of the generated excitons the continuity equation was solved. By defining the quenching properties of cell interfaces the influence of interface exciton dissociation was demonstrated. With given exciton diffusion lengths the generation of charge carriers and the quantum efficiency of phthalocyanine‐C60 OSCs was calculated. The applicability of the model is discussed by comparison with experimental data. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Electromigrated molecular junctions
Authors: van der Zant H. S. J. , Osorio E. A. , Poot M. , O'Neill K. 
Published: September 2006

AbstractWe report on the fabrication and characterization of molecular junctions which are fabricated with electromigration and subsequent trapping of the molecule from solution. Transport measurements show molecule‐specific features (vibrational modes; gate coupling) and indicate the presence of a single molecule in the gap. Electromigrated junctions can be very stable and allow for temperature dependent measurements, which provide, next to gate dependent measurements, an additional tool to perform detailed studies of transmolecular conduction mechanisms. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Interaction of the important species HNO and HFSO2 in the atmosphere: Theoretical study of the NH and SH blue‐shifted hydrogen bonds
Authors: Liu Ying , Liu Wenqing , Li Haiyang , Yang Yong , Cheng Shuang 
Published: September 2006

AbstractAb initio molecular orbital and density functional theory (DFT) in conjunction with different basis sets calculations were performed to study the NH…O and SH…O blue‐shifted H‐bonds in the HNO…HFSO2 complex. The geometric structures, vibrational frequencies, and interaction energies were calculated by both standard and CP‐corrected methods. Natural bond orbital (NBO) analysis was used to investigate the origin of blue‐shifted H‐bonds, showing that the decrease in the σ*(NH) and σ*(SH) is due to the electron density redistribution effect. The structure reorganization effect on the blue‐shifted hydrogen bonds was discussed in detail. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007
Optimizing the formula of rare earth‐bearing materials: A computational chemistry investigation
Authors: Bertolus Marjorie , Defranceschi Mireille 
Published: September 2006

AbstractWe present a computational investigation into the nature of bonds formed by rare earth elements (REE) in materials. This study focuses on the incorporation of neodymium in minerals called apatites, which are derived from fluorapatite: Ca10(PO4)6F2. These minerals, which allow many substitutions on all three Ca, P, and F sites, are considered as potential host phases for radioactive elements separated from nuclear waste. Nd and trivalent actinides have very similar physical and chemical properties, and Nd is not radioactive and much more easily handled. It is therefore very often used as a surrogate for actinides with oxidation degree three in experimental studies. Several formulas can be considered to substitute Nd3+ to Ca2+ and maintain charge balance of the apatite. Existing experimental and theoretical studies, however, mostly concern the Ca9Nd(PO4)5SiO4F2 formula, where the Nd incorporation is compensated by the replacement of one PO by a SiO group. Moreover, only the cation position has been studied, whereas the silicate position and its influence on stability are unknown. We present a more general investigation of possible charge compensations on the one hand, and of the various resulting configurations on the other. All possible configurations of the two formulas Ca9Nd(PO4)5 SiO4F2 and Ca8NdNa(PO4)6F2 have been considered. Calculations have been performed within the framework of density functional theory (DFT). A computation scheme that permits good accuracy in these systems within reasonable computation times is determined. The results obtained for cohesion energies, geometries, and electronic densities are discussed. As for the formulation, it is shown that the Ca8NdNa(PO4)6F2 formula is less stable than the fluorapatite, while Ca9Nd(PO4)5 SiO4F2 is more stable. For the structures, it is found that Nd substitutes preferably in the second cationic site. Moreover, the most stable structures exhibit the shortest Na–Nd or Nd–Si distances. Local charge balance therefore seems favorable. Then, it is shown that Nd forms covalent bonds both in apatite and in britholite, while Na forms ionic bonds. Finally, a first correlation between the material stability and the covalent character of the bonds formed is established. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007
Hosoya polynomials of armchair open‐ended nanotubes
Authors: Xu Shoujun , Zhang Heping 
Published: September 2006

AbstractFor a connected graph G we denote by d(G,k) the number of vertex pairs at distance k. The Hosoya polynomial of G is H(G,x) = ∑k≥0 d(G,k)xk. In this paper, analytical formulae for calculating the polynomials of armchair open‐ended nanotubes are given. Furthermore, the Wiener index, derived from the first derivative of the Hosoya polynomial in x = 1, and the hyper‐Wiener index, from one‐half of the second derivative of the Hosoya polynomial multiplied by x in x = 1, can be calculated. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007
Atmospheric pressure ion/molecule reactions for the selective detection of nitroaromatic explosives using acetonitrile and air as reagents
Authors: Song Yishu , Cooks R. Graham 
Published: September 2006

AbstractAcetonitrile vapor and air are useful reagents for the selective detection of nitroaromatic compounds using atmospheric pressure ion/molecule reactions. Reagent ions CH2CN− and CN− generated from acetonitrile, and O−., OH− and OOH− produced from the oxygen in air, react with vapor‐phase and condensed‐phase nitroaromatics in the course of atmospheric pressure chemical ionization (APCI) and desorption atmospheric pressure chemical ionization (DAPCI), respectively. The homogeneous and the heterogeneous phase reactions both lead to the formation of the same anionic adducts. These adducts have characteristic fragmentation patterns upon collisional activation, which makes these two reagents valuable for the selective detection of particular nitroaromatics, including explosives present as components of complex mixtures. Complementary information is available from the two reagents because their different chemistry facilitates analyte identification. DAPCI is demonstrated to be a useful ambient detection method for nitroaromatic explosives absorbed on surfaces. Copyright © 2006 John Wiley & Sons, Ltd.
Modified rain attenuation model for tropical regions for Ku‐Band signals
Authors: Ramachandran V. , Kumar V. 
Published: September 2006

AbstractAttenuation measurement on Ku‐ band satellite signal in a tropical site, Fiji is presented. Rain‐attenuation prediction by ITU‐R and the Crane Global models showed noticeable deviation to the measured values. Unlike the monotonic decrease predicted by these models, exceedance of rain‐rate and attenuation in Fiji and other tropical regions showed the presence of breakpoints. For Suva, the breakpoint in rain‐rate and attenuation were at 58 mm/h and 9.4 dB with exceedances of 0.009 and 0.018%, respectively. Modifications to the ITU‐R model are proposed in this paper, for adopting it in the tropics. These modifications are based on the properties that in the tropics (i) the accumulation time factor at the breakpoints is an invariant (ii) for elevation angles <60° and at high rain rates multiple rain cells intersect the slant path. The attenuation exceedance is predicted by two expressions similar to the ITU‐R model, one for rain‐rates lower than the breakpoint rain‐rate and the other above it. The modified prediction model show remarkable agreement with the measured Ku‐band attenuation in seven tropical sites. Copyright © 2006 John Wiley & Sons, Ltd.
AES depth profiling with a tilted sample in front of a cylindrical mirror analyzer: quantification and profile shape changes according to an extension of the conventional MRI model
Authors: Hofmann S. , Wang J. Y. 
Published: September 2006

AbstractThe influence of the tilt angle of a sample in front of a cylindrical mirror analyzer (CMA) on AES depth profiles is calculated with the conventional mixing‐roughness‐information (MRI) depth model and an extended MRI model. While the conventional model works with an average electron escape depth value, the extended model takes into account the intensity from different segments along the azimuth angle corresponding to different escape depth values before summing up for the total, measured intensity. The deviation between both approaches is generally less than 4%, even for the worst case at 47.7° tilt angle. The shape of the profile is slightly different for both approaches. Because, for a CMA with coaxial gun, the sample tilt angle varies as the electron beam incidence angle, the influence of the latter has to be additionally taken into account for quantification of AES. In reasonable agreement with experimental results it is shown that above 45° the Auger peak intensity of Cu (914 eV) increases up to about a factor of two for an incidence angle of 85°. Copyright © 2006 John Wiley & Sons, Ltd.
Modelling smoking history using a comprehensive smoking index: application to lung cancer
Authors: Leffondré Karen , Abrahamowicz Michal , Xiao Yongling , Siemiatycki Jack 
Published: September 2006

AbstractThe mathematical representation of smoking history is an important tool in analysis of epidemiological and clinical data. Hoffmann and colleagues recently proposed a single aggregate measure of smoking exposure that incorporates intensity, duration, and time since cessation. This comprehensive smoking index (CSI), which may be incorporated in any regression model, depends on a half‐life (τ) and a lag (δ) parameters that have to be fixed a priori, or estimated by maximizing the fit. The CSI has not previously been used for analysis of cancer data. Following some preliminary results on smoking and lung cancer, the authors proposed a new version of the CSI for lung cancer. The aim of this study was to investigate the performance of the original and the new versions of the CSI in the analysis of three data sets from two case–control studies of lung cancer undertaken in Montreal, in 1979–1985 in males, and in 1996–2000 in both males and females. The estimates of τ and δ for both versions of the CSI were similar across data sets. The new version of the CSI fitted the three data sets systematically although moderately better than the original version, and at least as well as other representations of lifetime smoking history that used separate variables for time since cessation and cumulative amount of cigarettes smoked. The results suggest that the CSI may be an attractive and parsimonious alternative to conventional modelling of different aspects of smoking history for lung cancer. Copyright © 2006 John Wiley & Sons, Ltd.
Yin and Yang in BMP signaling: Impact on the pathology of diseases and potential for tissue regeneration
Authors: Hartung Anke , Sieber Christina , Knaus Petra 
Published: September 2006

AbstractBone morphogenetic proteins (BMPs) are multi‐functional growth factors belonging to the transforming growth factor β (TGFβ) superfamily. BMPs are expressed in a large variety of tissues and organs, where they exhibit pleiotropic functions during development as well as in the adult organism. Thus maintenance of the BMP signaling pathways requires strict control and regulation by antagonists, co‐receptors and inhibitors. BMPs exert their signals by binding to hetero‐oligomeric signaling complexes composed of type I and type II receptors with serine/threonine kinase activity. They play a decisive role in the development of several diseases but are also involved in self‐renewal of stem cells and tissue regeneration. These insights may lead to the design of future therapeutic treatments. This review focuses on the differential BMP signaling pathways initiated at distinct oligomerized signaling complexes as well as on the pathological aspects of BMP signaling in diseases and their potential for tissue regeneration.
Continuous evolution through software architecture evaluation: a case study
Authors: Del Rosso Christian 
Published: September 2006

AbstractThe need for software architecture evaluation is based on the realization that software development, like all engineering disciplines, is a process of continuous modeling and refinement. Detecting architectural problems before the bulk of development work is done allows re‐architecting activities to take place in due time, without having to rework what has already been done. At the same time, tuning activities allow software performance to be enhanced and maintained during the software lifetime. When dealing with product families, architectural evaluations have an even more crucial role: the evaluations are targeted to a set of common products. We have tried different approaches to software assessments with our mobile phone software, an embedded real‐time software platform, which must support an increasingly large number of different product variants. In this paper, we present a case study and discuss the experiences gained with three different assessment techniques that we have worked on during the past five years. The assessment techniques presented include scenario‐based software architecture assessment, software performance assessment and experience‐based assessment. The various evaluation techniques are complementary and, when used together, constitute a tool which a software architect must be aware of in order to maintain and evolve a large software intensive system. Copyright © 2006 John Wiley & Sons, Ltd.
Mao and Agriculture in China's Industrialization: Three Antitheses in a 50-Year Perspective
Authors: Kueh Y. Y. 
Published: September 2006

Accelerated agricultural collectivization in China was an inescapable consequence of the broader economic goal of socialist industrialization. Rightly or wrongly, this wider vision of China's future was imposed by Mao, and to judge the High Tide of agricultural collectivization of 1955–56 without regard to these wider objectives is a mistake. The collectivization represented an extensive growth that relied on labour mobilization to expand factor supply and to extend the crop sown area in a manner rationalized by the theories of Ragnar Nurkse. This strategy inevitably required bureaucratic control and coercion, depressed peasant consumption and the forced siphoning off of the agricultural surplus. As such its outcome should not be evaluated in terms of the neoclassical economic norms of income maximization, peasant incentives or efficiency in cropping patterns based on market prices.In this framework, the post-Mao decollectivization and the readjustment of the agriculture-industry balance can be seen as a transition to an intensive agricultural growth strategy that was built upon the precise material legacy (expanded irrigation and drainage capacity) left behind by Mao. This strategy has proved to be remarkably successful in further releasing industrial growth from the agricultural constraint.
RECOVERING THE FULL PALETTE OF POSSIBILITIES FOR WILHELMINE GERMANY 1890–1914: A NEW GERMAN SPECIAL WAY?
Authors: ERMARTH MICHAEL 
Published: September 2006

Kevin Repp, Reformers, Critics, and the Paths of German Modernity: Anti-politics and the Search for Alternatives, 1890–1914 (Cambridge, MA: Harvard University Press, 2000)Suzanne Marchand and David Lindenfeld, eds., Germany at the Fin de Siecle: Culture, Politics, and Ideas (Baton Rouge: Lousiana State University Press, 2004)As in the colorization of old black-and-white films, large swaths of modern German history have been undergoing a major makeover through full-spectrum, high-definition re-colorization. Stark black and white—and in between steely gray-on-gray—hardly suffice any longer for representing the full spectrum of the German past in its manifold formations and transformations. As compellingly set forth in the two works reviewed here, this changing retrospective view of change itself is revamping the history of the Wilhelmine Reich of 1890–1914. And just as in the colorization of old films, this shift has the uncanny parallax effect of making a bygone period-piece seem somehow closer to our sensibly “more modern” present-day world—even while the earlier period is also plainly lodged in a distant timeframe. The new history has some very interesting and unsettling special effects and nowhere do they come into play more palpably than in treating the special “German question” in relation to the larger question of Western mainstream modernity.
MODERN ANGLOPHONE PHILOSOPHY: BETWEEN THE SEMINAR ROOM AND THE COLD WAR
Authors: KUKLICK BRUCE 
Published: September 2006

George A. Reisch, How the Cold War Transformed Philosophy of Science: To the Icy Slopes of Logic (Cambridge and New York, Cambridge University Press, 2005)Scott Soames, Philosophical Analysis in the Twentieth Century. Vol. 1, The Dawn of Analysis; Vol. 2, The Age of Meaning (Princeton, Princeton University Press, 2003)Although How the Cold War Transformed Philosophy of Science is narrower in scope, the two books included in this review by and large cover the same ground—the history of anglophone philosophy in the first two-thirds of the twentieth century. Nonetheless, the two authors occupy two different universes, and it is instructive to examine the issues and styles of thought that separate their comprehension of analytic philosophy.
Lithium selectively increases neuronal differentiation of hippocampal neural progenitor cells bothin vitroandin vivo
Authors: Kim Jin Seuk , Chang Mi‐Yoon , Yu In Tag , Kim Ju Hee , Lee Sang‐Hun , Lee Yong‐Sung , Son Hyeon 
Published: September 2006

AbstractLithium has been demonstrated to increase neurogenesis in the dentate gyrus of rodent hippocampus. The present study was undertaken to investigate the effects of lithium on the proliferation and differentiation of rat neural progenitor cells in hippocampus bothin vitroandin vivo. Lithium chloride (1–3 mm) produced a significant increase in the number of bromodeoxyuridine (BrdU)‐positive cells in high‐density cultures, but did not increase clonal size in low‐density cultures. Lithium chloride at 1 mm(within the therapeutic range) also increased the number of cells double‐labeled with BrdU antibody and TuJ1 (a class III β‐tubulin antibody) in high‐density cultures and the number of TuJ1‐positive cells in a clone of low‐density cultures, whereas it decreased the number of glial fibrillary acidic protein‐positive cells in both cultures. These results suggest that lithium selectively increased differentiation of neuronal progenitors. These actions of lithium appeared to enhance a neuronal subtype, calbindinD28k‐positive cells, and involved a phosphorylated extracellular signal‐regulated kinase and phosphorylated cyclic AMP response element‐binding protein‐dependent pathway bothin vitroandin vivo. These findings suggest that lithium in therapeutic amounts may elicit its beneficial effects via facilitation of neural progenitor differentiation toward a calbindinD28k‐positive neuronal cell type.
Steroid sulfatase (STS) expression in the human temporal lobe: enzyme activity, mRNA expression and immunohistochemistry study
Authors: Steckelbroeck Stephan , Nassen Alexander , Ugele Bernhard , Ludwig Michael , Watzka Matthias , Reissinger Annette , Clusmann Hans , Lütjohann Dieter , Siekmann Lothar , Klingmüller Dietrich , Hans Volkmar H. 
Published: September 2006

AbstractDehydroepiandrosterone (DHEA) and its sulfate (DHEAS) are suggested to be important neurosteroids. We investigated steroid sulfatase (STS) in human temporal lobe biopsies in the context of possible cerebral DHEA(S)de novobiosynthesis. Formation of DHEA(S) in mature human brain tissue has not yet been studied. 17α‐Hydroxylase/C17‐20‐lyase and hydroxysteroid sulfotransferase catalyze the formation of DHEA from pregnenolone and the subsequent sulfoconjugation, respectively. Neither their mRNA nor activity were detected, indicating that DHEA(S) are not produced within the human temporal lobe. Conversely, strong activity and mRNA expression of DHEAS desulfating STS was found, twice as high in cerebral neocortex than in subcortical white matter. Cerebral STS resembled the characteristics of the known placental enzyme. Immunohistochemistry revealed STS in adult cortical neurons as well as in fetal and adult Cajal‐Retzius cells. Organic anion transporting proteins OATP‐A, ‐B, ‐D, and ‐E showed high mRNA expression levels with distinct patterns in cerebral neocortex and subcortical white matter. Although it is not clear whether they are expressed at the blood–brain barrier and facilitate an influx rather than an efflux, they might well be involved in the transport of steroid sulfates from the blood. Therefore, we hypothesize that DHEAS and/or other sulfated 3β‐hydroxysteroids might enter the human temporal lobe from the circulation where they would be readily converted via neuronal STS activity.
Muslim Rebels
Authors: Kenney Jeffrey T. 
Published: September 2006

Abstract
The Kharijites were a splinter group that broke away from the main forces of Islam during the formative medieval period, purportedly refusing arbitration and committing bloody outrages against their fellow Muslims. Their influence in the political and theological life of the nascent faith has ensured their place in both critical and religious accounts of early Islamic history. Over the centuries, the Kharijites have repeatedly been invoked whenever militant opposition arose and today the label is frequently applied to extremist Islamic movements. After a brief look at Kharijite origins, this book focuses on contemporary Egypt. The book shows how religious images of the Kharijites have dominated public discussion about political opposition movements, effectively undermining attempts to discuss the real issues generating such movements.