bluuebunny/crossref_metadata_2025_split huggingface dataset:
High‐precision calculation of Hartree‐Fock energy of crystals
Authors: Gillan M. J. , Alfè D. , de Gironcoli S. , Manby F. R. 
Published: June 2008

AbstractWhen using quantum chemistry techniques to calculate the energetics of bulk crystals, there is a need to calculate the Hartree‐Fock (HF) energy of the crystal at the basis‐set limit. We describe a strategy for achieving this, which exploits the fact that the HF energy of crystals can now be calculated using pseudopotentials and plane‐wave basis sets, an approach that permits basis‐set convergence to arbitrary precision. The errors due to the use of pseudopotentials are then computed from the difference of all‐electron and pseudopotential total energies of atomic clusters, extrapolated to the bulk‐crystal limit. The strategy is tested for the case of the LiH crystal, and it is shown that the HF cohesive energy can be converged with respect to all technical parameters to a precision approaching 0.1 mEh per atom. This cohesive energy and the resulting HF value of the equilibrium lattice parameter are compared with literature values obtained using Gaussian basis sets. © 2008 Wiley Periodicals, Inc. J Comput Chem, 2008
Transcendental lattices of some K 3‐surfaces
Authors: Sarti Alessandra 
Published: June 2008

AbstractIn a previous paper, [12], we described six families of K 3‐surfaces (over ℂ) with Picard‐number 19, and we identified surfaces with Picard‐number 20. In these notes we classify some of the surfaces by computing their transcendental lattices. Moreover, we show that the surfaces with Picard‐number 19 are birational to a Kummer surface which is the quotient of a non‐product type abelian surface by an involution. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Analysis of similarity/dissimilarity of protein sequences
Authors: Yao Yu‐Hua , Dai Qi , Li Chun , He Ping‐An , Nan Xu‐Ying , Zhang Yao‐Zhou 
Published: June 2008

AbstractOn the basis of a selected pair of physicochemical properties of amino acids, we introduce a dynamic 2D graphical representation of protein sequences. Then, we introduce and compare two numerical characterizations of protein graphs as descriptors to analyze the nine ND5 proteins. The approach is simple, convenient, and fast. Proteins 2008. © 2008 Wiley‐Liss, Inc.
Experimental identification of specificity determinants in the domain linker of a LacI/GalR protein: Bioinformatics‐based predictions generate true positives and false negatives
Authors: Meinhardt Sarah , Swint‐Kruse Liskin 
Published: June 2008

AbstractIn protein families, conserved residues often contribute to a common general function, such as DNA‐binding. However, unique attributes for each homolog (e.g. recognition of alternative DNA sequences) must arise from variation in other functionally‐important positions. The locations of these “specificity determinant” positions are obscured amongst the background of varied residues that do not make significant contributions to either structure or function. To isolate specificity determinants, a number of bioinformatics algorithms have been developed. When applied to the LacI/GalR family of transcription regulators, several specificity determinants are predicted in the 18 amino acids that link the DNA‐binding and regulatory domains. However, results from alternative algorithms are only in partial agreement with each other. Here, we experimentally evaluate these predictions using an engineered repressor comprising the LacI DNA‐binding domain, the LacI linker, and the GalR regulatory domain (LLhG). “Wild‐type” LLhG has altered DNA specificity and weaker lacO1 repression compared to LacI or a similar LacI:PurR chimera. Next, predictions of linker specificity determinants were tested, using amino acid substitution and in vivo repression assays to assess functional change. In LLhG, all predicted sites are specificity determinants, as well as three sites not predicted by any algorithm. Strategies are suggested for diminishing the number of false negative predictions. Finally, individual substitutions at LLhG specificity determinants exhibited a broad range of functional changes that are not predicted by bioinformatics algorithms. Results suggest that some variants have altered affinity for DNA, some have altered allosteric response, and some appear to have changed specificity for alternative DNA ligands. Proteins 2008. © 2008 Wiley‐Liss, Inc.
Effect of altered glycosylation on the structure of the I‐like domain of β1 integrin: A molecular dynamics study
Authors: Liu Yuemin , Pan Di , Bellis Susan L. , Song Yuhua 
Published: June 2008

AbstractGlycosylation plays an important role in the regulation of integrin function. Molecular mechanisms underlying the effects of altered glycosylation on β1 integrin structure and function are still largely unknown. In this study, we used a molecular modeling approach to study the effects of altered glycosylation, with α2‐6 sialic acid and without α2‐6 sialic acid, on the structure of the I‐like domain of the β1 integrin. Our results demonstrated that altered glycosylation affected the interactions between oligosaccharides and the I‐like domain, which in turn changed the accessibility of the specificity‐determining loop for ligand binding. Altered glycosylation caused significant conformational changes for most of the key functional regions of the I‐like domain of β1 integrin, including the metal ion‐dependent adhesion site that contains a DLSYS motif, and other critical residues for ligand binding (Asn‐224, Glu‐229, Asp‐233, Asp‐267, and Asp‐295). In addition, altered glycosylation caused significant movement of the α1 and α7 helices, which are important for the activation of β1 integrin. The results from this study offered molecular mechanisms for the experimental observations that variant glycosylation regulates integrin function. Proteins 2008. © 2008 Wiley‐Liss, Inc.
Physical properties of unconventional binary sodium bismuthate glasses
Authors: Al‐Assiri M. S. , Tashtoush N. M. , Ragab H. S. , El‐Desoky M. M. 
Published: June 2008

AbstractUnconventional binary glasses in the system Na2O–Bi2O3 have prepared by a conventional press‐quenching technique. X‐ray diffraction (XRD), scanning electron microscopy (SEM), differential scanning calorimeter (DSC), infrared (IR) spectra, density (ρ) and, molar volume (Vm) and dc conductivity (σ) of these glasses were reported. The overall features of XRD curves confirm the amorphous nature of the present glasses. SEM investigation shows a surface without any microstructure, which is a characteristic of the amorphous phase. Systematic variation of the glass transition temperature (Tg), density and IR spectra observed in these glasses indicates significant structural change with composition. Their variation with the composition has been explained by taking into consideration the structure of these glasses. From IR spectra, we conclude the presence of BiO3 pyramidal and BiO6 octahedral units in the glass structure. From the density (ρ) and molar volume (Vm), the BiO6 octahedral units are transformed into BiO3 pyramidal units because Na+1 are introduced within the network of the glass as a modifier and consequently change the structural units into a more open structure. Tg was observed to decrease with an increase in Na2O content and to lie between 330 °C and 366 °C. The dc conductivity has been explained in terms of the structure of bismuthate glasses. At lower compositions of Na2O, the small variation in conductivity and activation energy has been attributed to the occupancy of Na+ ions at the interstices of BiO6 octahedra, acting as a charge compensator, while at higher concentrations of Na2O, the conductivity increases rapidly due to the formation of weak nonbridging oxygen (NBO) sodium ionic bond. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Localization in 2D quantum percolation
Authors: Travěnec I. 
Published: June 2008

AbstractQuantum site percolation as a limiting case of binary alloy is studied numerically in 2D within the tight‐binding model. We address the transport properties in all regimes – ballistic, diffusive (metallic), localized and crossover between the latter two. Special attention is given to the region close to the conduction band center, but even there the Anderson localization persists, without signs of a metal–insulator transition. We found standard localization for sufficiently large samples. For smaller systems, novel partial quantization of Landauer conductances, i.e. most values close to small integers in arbitrary units, is observed at the band center. The crossover types of conductance distributions (outside the band center) are found to be similar to systems with corrugated surfaces. Universal conductance fluctuations in the metallic regime are shown to approach the known, theoretically predicted value. The resonances in the localized regime are Pendry necklaces. We tested Pendry's conjecture on the probability of such rare conducting samples and it proved consistent with our numerical results. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Correlation between ionic charge and the lattice constant of cubic perovskite solids
Authors: Verma A. S. , Kumar A. , Bhardwaj S. R. 
Published: June 2008

AbstractIn this paper we present lattice constant values for cubic perovskite solids with the product of ionic charges and average ionic radii rav (Å). The lattice constant of these compounds exhibit a linear relationship when plotted on a log–log scale against the average ionic radii rav (Å), but fall on different straight lines according to the ionic charge product of the compounds. We have applied the proposed relation to ABX3 (A: large cation with different valence, B: transition metal and X: oxides and halides) and found a better agreement with the experimental data as compared to the values evaluated by earlier researchers. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Analysis of oilseeds for protein, oil, fiber and moisture by near‐infrared reflectance spectroscopy
Authors: Pandord J. A. , Williams P. C. , deMan J. M. 
Published: June 2008

AbstractWavelength and mathematical treatments were optimized for the determination of oil, protein, moisture and crude fiber components in the ground seeds of nine oil‐bearing crops [rape, flax, sunflower, safflower sesame, palm kernel, groundnut (peanut), soybean spectroscopy. Optimum wavelengths, selected for the estimation of various components, were influenced by the algorithm (math treatment) used and differed among crops. The second derivative math appeared to be better suited for the estimation of all constituents. Methods for sample preparation of all constituents. Methods for sample preparation and analytical results are discussed. The accuracy was quite satisfactory for routine quality control and evaluation purposes, and precision was equal to that of standard analyses.
Evaluating and predicting n‐fatty acid properties
Authors: Fisher Charles H. 
Published: June 2008

AbstractTwo types of equation, one correlating properties (P) with number of n‐fatty acid carbons (Nc) and the other correlating properties of individual acids with temperature (t,C), were developed and used to evaluate and predict properties of the n‐fatty acids. Equations correlating n‐fatty acid properties with number of carbons are reported for freezing points, melting points, boiling points, densities, molar volumes, refractivities, dielectric constants, dipole moments, surface tensions and solubility parameters. Equations also are reported that correlate n‐fatty acid properties with temperature.
Effect of intramuscular administration of dexamethasone on the duration of labor
Authors: Kashanian Maryam , Dadkhah Farideh , Mokhtari Fattaneh 
Published: June 2008

AbstractObjectiveTo evaluate the effect of dexamethasone administration on labor duration.MethodIn this controlled trial 122 nulliparous women with a full‐term pregnancy and a Bishop score of 7 or greater were randomly assigned to receive a single 8‐mg dose of dexamethasone or placebo 6 hours before initiation of labor induction.ResultsThe interval between initiation of labor induction and beginning of the active phase of labor was shorter in the dexamethasone than in the control group (3.09 ± 1.5 hours vs. 4.21 ± 1.8 hours; P = 0.001). The duration of the second stage of labor was also shorter in the dexamethasone group (22.23 ± 16.09 minutes vs. 29.01 ± 15.32 minutes; P = 0.014).ConclusionThe administration of dexamethasone was found to shorten labor duration.
Index Theory and Non-Commutative Geometry II. Dirac Operators and Index Bundles
Authors: Benameur Moulay-Tahar , Heitsch James L. 
Published: June 2008

AbstractWhen the index bundle of a longitudinal Dirac type operator is transversely smooth, we define its Chern character in Haefliger cohomology and relate it to the Chern character of the K—theory index. This result gives a concrete connection between the topology of the foliation and the longitudinal index formula. Moreover, the usual spectral assumption on the Novikov-Shubin invariants of the operator is improved.
Thom isomorphism and push-forward map in twisted K-theory
Authors: Carey Alan L. , Wang Bai-Ling 
Published: June 2008

AbstractWe establish the Thom isomorphism in twisted K-theory for any real vector bundle and develop the push-forward map in twisted K-theory for any differentiable map f : X → Y (not necessarily K-oriented). We also obtain the wrong way functoriality property for the push-forward map in twisted K-theory. For D-branes satisfying Freed-Witten's anomaly cancellation condition in a manifold with a non-trivial B-field, we associate a canonical element in the twisted K-group to get the so-called D-brane charges.
BENJAMIN MARTYN, THE SHAFTESBURY FAMILY, AND THE REPUTATION OF THE FIRST EARL OF SHAFTESBURY
Authors: MILTON J. R. 
Published: June 2008

ABSTRACTIn the late 1730s the fourth earl of Shaftesbury engaged Benjamin Martyn to write a biography of his great-grandfather, the first earl, defending his reputation against the accounts given by Gilbert Burnet and others. With the support of other members of his family a considerable body of source material (some now lost) was assembled, including a memoir of Shaftesbury by his steward Thomas Stringer and a defence of his character and actions by another former member of the household, Benjamin Wyche. Most of Martyn'sLifehad been written by 1740, but it was not published. After his death in 1763 the papers he had left were extensively revised by a team of historians that included Roger Flexman and Andrew Kippis. Versions of theLifewere printed in 1770 and 1773 but not published. Neither the fifth nor the sixth earl had any interest in the project, but the only copy of the 1770 printing not in the hands of the Shaftesbury family was bought in 1830 by a London publisher, and after further changes made by G. W. Cooke theLifewas finally published in 1836.
THE LIBERAL WAR COMMITTEE AND THE LIBERAL ADVOCACY OF CONSCRIPTION IN BRITAIN, 1914–1916
Authors: JOHNSON MATTHEW 
Published: June 2008

ABSTRACTThe advent of conscription in Britain in 1916 was greeted with profound dismay by many in the Liberal party. At Westminster, however, a significant minority of Liberal MPs, who were members of the Liberal War Committee (LWC), were amongst the most enthusiastic advocates of compulsory service, from a surprisingly early stage in the war. It has usually been assumed that those Liberals who embraced conscription were effectively abandoning their progressive principles, and moving to another, more reactionary, political allegiance. This article argues that this was not the case. The Liberal advocates of conscription represented a range of political opinions, but all insisted that they remained Liberals, and many went to considerable lengths to reconcile their support for universal military service with their continued adherence to the Liberal creed. This article reassesses the phenomenon of Liberal support for compulsory service, examining the arguments, activities, and personnel of the LWC. It sheds new light on the vitality of Liberal principles in wartime, demonstrating that Liberal doctrine was often far more flexible than scholars have realized.
THE ADVERTISING INDUSTRY AND ALCOHOL IN INTERWAR FRANCE
Authors: HOWARD SARAH 
Published: June 2008

ABSTRACTThis article reassesses interwar French advertising through the case study of alcohol, one of the period's most widely advertised and popular products. Examining the ways in which alcoholic beverages were branded, marketed, and advertised, the article revises the historiography of French advertising in several ways. Histories of interwar French advertising have described an industry that was retarded and underdeveloped, or else slowly progressing through the application and adaptation of American practices. By contrast, this article suggests that during the period French advertising was a remarkably successful enterprise which should be analysed on its own terms rather than through the dominant paradigm of Americanization. French interwar publicity innovations, like the alcoholic beverages that utilized them, were very much ‘home grown’ phenomena. Both were firmly rooted in Belle Époque advertising traditions and contemporary French consumer patterns. Advertising did not create a new consumer culture; instead it reflected and was, in turn, shaped by the society in which it operated and the products being advertised.
THE BATTLE OF DETROIT AND ANTI-COMMUNISM IN THE DEPRESSION ERA
Authors: GOODALL ALEX 
Published: June 2008

ABSTRACTThis article is an exploration of Diego Rivera's visit to Detroit in 1932–3. It seeks to use his experiences, and in particular the spectacular popular reaction to the Detroit Industry murals he painted, as a prism for analysing varieties of anti-communism in Detroit in the depression era. The article argues that close relationships between private capitalists, most notably Henry Ford and a Mexican communist, expose contradictions in big business's use of anti-communism in the interwar period, and suggest that anti-communism was a more complicated phenomenon than simply a tool for the promotion of ‘free enterprise’. Moreover, by comparing the public reaction to the artists' work with their original intent, it is possible to see how members of Detroit's society unconsciously used anti-communism to sublimate broader concerns over race and ethnicity, gender, politics, and religiosity in a region in the throes of profound social change. The article seeks to highlight elements of these latent anxieties and fears in order to show how anti-communism acted as a vessel for social debate.
THE REFORMATION AND ‘THE DISENCHANTMENT OF THE WORLD’ REASSESSED
Authors: WALSHAM ALEXANDRA 
Published: June 2008

ABSTRACTThis essay is a critical historiographical overview of the ongoing debate about the role of the Protestant Reformation in the process of ‘the disenchantment of the world’. It considers the development of this thesis in the work of Max Weber and subsequent scholars, its links with wider claims about the origins of modernity, and the challenges to this influential paradigm that have emerged in the last twenty-five years. Setting the literature on England within its wider European context, it explores the links between Protestantism and the transformation of assumptions about the sacred and the supernatural, and places renewed emphasis on the equivocal and ambiguous legacy left by the upheavals of the sixteenth and seventeenth centuries. Attention is also paid to the ways in which the Reformation converged with other intellectual, cultural, political, and social developments which cumulatively brought about subtle, but decisive, transformations in individual and collective mentalities. It is suggested that thinking in terms of cycles of desacralization and resacralization may help to counteract the potential distortions of a narrative that emphasizes a linear path of development.
A case of cranial fasciitis masquerading as acute mastoiditis
Authors: Marshall L R , Salib R J , Mitchell T E , Moore I 
Published: June 2008

AbstractObjective:We report a case of infection against a background of pre-existing cranial fasciitis.Method:Case report and review of world literature on cranial fasciitis.Results:Cranial fasciitis of childhood is a benign condition and a rare variant of nodular fasciitis. We present the case of a 10-week-old infant with symptoms and signs consistent with a subperiosteal abscess complicating acute mastoiditis. Subsequent findings showed this to be an infection against a background of pre-existing cranial fasciitis.Conclusion:To our knowledge, this is the first such reported case in the literature. Knowledge of the distinctive histopathological features, coupled with an awareness of the condition, are crucial to establishing a definitive diagnosis of cranial fasciitis and, in turn, to instituting appropriate management. The aetiopathogenesis of the condition remains unclear.
Neuronal–glial interactions in central nervous system neurogenesis: the neural stem cell perspective
Authors: Gritti Angela , Bonfanti Luca 
Published: June 2008

AbstractEssentially, three neuroectodermal-derived cell types make up the complex architecture of the adult CNS: neurons, astrocytes and oligodendrocytes. These elements are endowed with remarkable morphological, molecular and functional heterogeneity that reaches its maximal expression during development when stem/progenitor cells undergo progressive changes that drive them to a fully differentiated state. During this period the transient expression of molecular markers hampers precise identification of cell categories, even in neuronal and glial domains. These issues of developmental biology are recapitulated partially during the neurogenic processes that persist in discrete regions of the adult brain. The recent hypothesis that adult neural stem cells (NSCs) show a glial identity and derive directly from radial glia raises questions concerning the neuronal–glial relationships during pre- and post-natal brain development. The fact that NSCs isolated in vitro differentiate mainly into astrocytes, whereas in vivo they produce mainly neurons highlights the importance of epigenetic signals in the neurogenic niches, where glial cells and neurons exert mutual influences. Unravelling the mechanisms that underlie NSC plasticity in vivo and in vitro is crucial to understanding adult neurogenesis and exploiting this physiological process for brain repair. In this review we address the issues of neuronal/glial cell identity and neuronal–glial interactions in the context of NSC biology and NSC-driven neurogenesis during development and adulthood in vivo, focusing mainly on the CNS. We also discuss the peculiarities of neuronal–glial relationships for NSCs and their progeny in the context of in vitro systems.