bluuebunny/crossref_metadata_2025_split huggingface dataset:
Theoretical Study on the Excited Electronic States of Coronene and Its π-Extended Molecules Using the Symmetry-Adapted Cluster-Configuration Interaction Method
Authors: Fukuda Ryoichi , Ehara Masahiro 
Published: March 2013

Abstract
The excited electronic states and optical absorption spectra of coronene (C24H12), hexa-peri-hexabenzocoronene (HBC) (C42H18), and circumcoronene (C54H18) were studied using the symmetry-adapted cluster-configuration interaction (SAC-CI) method. For coronene and HBC, the SAC-CI calculations reproduced the experimental spectra well and predicted optically forbidden excited states. For HBC, the symmetry lowering enhanced the intensity of the S2 state that corresponds to the p-band, and the SAC-CI calculation predicted the existence of the second and third optically allowed states around the β-band region near 4.0 eV. For circumcoronene, the SAC-CI calculation predicted a strong absorption of the β-band in the visible light region. The mechanisms of energy splitting for the HOMO–LUMO transition were investigated. Electron correlation was the most important factor for the energy splitting between the lowest and the next-lowest states. Configuration interaction with single excitations (CIS) calculations could not correctly predict the relative energies of these states in coronene and circumcoronene. For HBC, on the other hand, the CIS calculation provided the same energy order as the SAC-CI calculation.
A Model of Silica Dissolution Based on Acid Dissociation of Internal Silanol
Authors: Nikaido Fumiya , Inasawa Susumu , Tsuji Yoshiko , Yamaguchi Yukio 
Published: March 2013

Abstract
Previous studies have proposed that silica has micropores or a “gel layer” on its surface; however, previous models of silica dissolution have considered only the top monolayer, and neglected the internal structure of silica. Here, we have developed a dissolution model that takes into account acid dissociation of internal silanol groups. The dissolution rates of silica, the solution pH and the electrophoretic mobilities of the silica particles were measured in basic aqueous media. These parameters were very different depending on the conditions, however all parameters behaved as expected based upon our simple model. In the model, we considered the surface potential and the potential inside the silica particle to quantify the acid dissociation of the top-surface and internal silanols, respectively. The dissolution rates were proportional to the number of top-surface deprotonated silanols, [≡SiO−]top. Internal silanol was not directly involved in the dissolution reaction, however acid dissociation of internal silanol must be considered to evaluate [≡SiO−]top. Electrophoretic mobilities are discussed to confirm the validity of our model.
Is It Better to Average Probabilities or Quantiles?
Authors: Lichtendahl Kenneth C. , Grushka-Cockayne Yael , Winkler Robert L. 
Published: March 2013

We consider two ways to aggregate expert opinions using simple averages: averaging probabilities and averaging quantiles. We examine analytical properties of these forecasts and compare their ability to harness the wisdom of the crowd. In terms of location, the two average forecasts have the same mean. The average quantile forecast is always sharper: it has lower variance than the average probability forecast. Even when the average probability forecast is overconfident, the shape of the average quantile forecast still offers the possibility of a better forecast. Using probability forecasts for gross domestic product growth and inflation from the Survey of Professional Forecasters, we present evidence that both when the average probability forecast is overconfident and when it is underconfident, it is outperformed by the average quantile forecast. Our results show that averaging quantiles is a viable alternative and indicate some conditions under which it is likely to be more useful than averaging probabilities.This paper was accepted by Peter Wakker, decision analysis.
On the Morse–Sard property and level sets of W
n,1 Sobolev functions on ℝ
n
Authors: Bourgain Jean , Korobkov Mikhail V. , Kristensen Jan 
Published: March 2013

Abstract

We establish Luzin N and Morse–Sard properties for functions
from the Sobolev space

W

n
,
1

(

ℝ
n

)

$\mathrm {W}^{n,1}(\mathbb {R}^n)$

. Using these results we
prove that almost all level sets are finite disjoint unions of

C
1

$\mathrm {C}^1$

-smooth compact manifolds of dimension n - 1. These results
remain valid also within the larger space of functions of bounded
variation

BV
n

(

ℝ
n

)

$\mathrm {BV}_n(\mathbb {R}^n)$

. For the proofs we establish and use some
new results on Luzin-type approximation of Sobolev and

BV

$\mathrm {BV}$

-functions by

C
k

$\mathrm {C}^k$

-functions, where the exceptional sets
have small Hausdorff content.
The incorporation of europium into apatite: anew explanation
Authors: Holliday Kiel S. , Dardenne Kathy , Walther Clemens , Stumpf Th. 
Published: March 2013

AbstractTime resolved laser fluorescence spectroscopy (TRLFS) and X-ray absorption fine structure (XAFS) are used as complimentary techniques to show that the hetero-valent incorporation of europium into apatite at temperatures relevant to environmental and biological processes occurs at grain boundaries and not the crystallographic calcium sites as previously presumed. For this study, we focus on mechanisms at the solid solution interface and therefore define this temperature regime as the range in which liquid water exists (0–100 ºC). Site-selective TRLFS show that the local Eu3+symmetry does not match the presumed crystallographic site of incorporation. This is confirmed by XAFS results that show a deviation from the local environment in apatite. The transition of this amorphous europium to acrystallographic calcium site upon heating is then explained by grain growth and followed through a transition species by TRLFS.
Heliox Therapy in Bronchiolitis: Phase III Multicenter Double-Blind Randomized Controlled Trial
Authors: Chowdhury Mina M. , McKenzie Sheila A. , Pearson Christopher C. , Carr Siobhan , Pao Caroline , Shah Arvind R. , Reus Elizabeth , Eliahoo Joseph , Gordon Fabiana , Bland Hubert , Habibi Parviz 
Published: March 2013

BACKGROUND AND OBJECTIVE:Supportive care remains the mainstay of therapy in bronchiolitis. Earlier studies suggest that helium-oxygen therapy may be beneficial, but evidence is limited. We aimed to compare efficacy of 2 treatment gases, Heliox and Airox (21% oxygen + 79% helium or nitrogen, respectively), on length of hospital treatment for bronchiolitis.METHODS:This was a multicenter randomized blinded controlled trial of 319 bronchiolitic infant subjects randomly assigned to either gas; 281 subjects completed the study (140 Heliox, 141 Airox), whose data was analyzed. Treatment was delivered via facemask (nasal cannula, if the facemask intolerant) ± continuous positive airway pressure (CPAP). Severe bronchiolitics received CPAP from the start. Primary end point was length of treatment (LoT) required to alleviate hypoxia and respiratory distress. Secondary end-points were proportion of subjects needing CPAP; CPAP (LoT); and change in respiratory distress score.RESULTS:Analysis by intention to treat (all subjects); median LoT (inter-quartile range, days): Heliox 1.90 (1.08–3.17), Airox 1.87 (1.11–3.34), P = .41. Facemask tolerant subgroup: Heliox 1.46 (0.85–1.95), Airox 2.01 (0.93–2.86), P = .03. Nasal cannula subgroup: Heliox 2.51 (1.21–4.32), Airox 2.81 (1.45–4.78), P = .53. Subgroup started on CPAP: Heliox 1.55 (1.38–2.01), Airox 2.26 (1.84–2.73), P = .02. Proportion of subjects needing CPAP: Heliox 17%, Airox 19%, O.R. 0.87 (0.47–1.60), P = .76. Heliox reduced respiratory distress score after 8 hours (mixed models estimate, −0.1298; P &lt; .001). The effect was greater for facemask compared with nasal cannula (mixed models estimate, 0.093; P = .04).CONCLUSIONS:Heliox therapy does not reduce LoT unless given via a tight-fitting facemask or CPAP. Nasal cannula heliox therapy is ineffective.
Association between Interferon Regulatory Factor 6 Gene Polymorphisms and Nonsyndromic Cleft Lip with or without Cleft Palate in a Chinese Population
Authors: Zhou Qian , Li Mengjie , Zhu Wenli , Guo Jinzhen , Wang Yun , Li Yong , Li Shuqin 
Published: March 2013

Objective To further confirm the association between two IRF6 single nucleotide polymorphisms and nonsyndromic cleft lip with or without cleft palate in a Chinese population. Participants A total of 106 nonsyndromic cleft lip with or without cleft palate case trios and 129 control trios. Intervention Two IRF6 single nucleotide polymorphisms, rs2235371 and rs642961, were genotyped for all case and control families. Case-control analysis and family-based linkage analysis were both performed for the two single nucleotide polymorphisms. Results The genotype and allele frequencies of rs2235371 (odds ratioAG+AA vs. GG, 0.581; 95% confidence interval, 0.345 to 0.976; P = .039) and rs642961 (odds ratioAG+AA vs. GG, 5.389; 95% confidence interval, 2.936 to 9.893; P = 5e-08) were significantly higher in nonsyndromic cleft lip with or without cleft palate patients compared with controls. There was an obvious dosage effect of allele A at rs642961. The transmission of a major allele (G) of rs2235371 and a minor allele (A) of rs642961 was in disequilibrium ( P < .05) in complete case-parent trios. The association between the two single nucleotide polymorphisms and nonsyndromic cleft lip with or without cleft palate was confirmed by the Family-Based Association Test for rs642961 ( P = .008), but there was no significance for rs2235371 ( P = 0.057). Haplotype analysis found that rs2235371 G/rs642961 A haplotype increased the risk of nonsyndromic cleft lip with or without cleft palate ( P = 2.42e-07); whereas, rs2235371 A/rs642961 G haplotype reduced the risk of nonsyndromic cleft lip with or without cleft palate ( P = 4.37e-05). No evidence of linkage disequilibrium was found between the two single nucleotide polymorphisms (D′ = 0.303, r2 = 0.017). Conclusion Our results confirmed the involvement of the IRF6 variants rs642961 and rs2235371 in the etiology of nonsyndromic cleft lip with or without cleft palate in a Chinese population.
Peptides: β‐Cyclodextrin Inclusion Compounds as Highly Effective Antimicrobial and Anti‐Epithelial Proliferation Agents
Authors: Consuegra Jessika , Elena de Lima Maria , Santos Daniel , Sinisterra Rubén Dario , Cortés Maria Esperanza 
Published: March 2013

Background: The use of antimicrobial peptides (AMPs) as therapeutic agents for periodontal infections has great advantages, such as broad spectrum of action, low toxicity, and limited bacterial resistance. However, their practical use is limited because of the large amount of peptide required to exercise the microbicidal function.Methods: LyeTxI, LL37f, and KR12 cationic peptides were prepared with β‐cyclodextrin (βCD) at 1:1 molar ratios. The susceptibility of Porphyromonas gingivalis, Aggregatibacter actinomycetemcomitans, and Fusobacterium nucleatum were assessed in anaerobic conditions. Cytotoxicity assays were performed using osteoblast and Caco‐2 epithelial cells, and hemolytic activity was assessed on rabbit erythrocytes at an absorbance of 414 nm. Parameters of surface roughness and electrical charge were established by atomic force microscopy and zeta (ζ) potential, respectively.Results: AMP/βCDs drastically decreased the peptide concentration required for activity against the bacteria tested. Moreover, AMPs associated with βCD were able to modify cell‐surface parameters, such as roughness and ζ potential. On the other hand, AMP/βCD did not alter the degree of hemolysis induced by the pure AMPs. The effective concentration at half‐maximum values of the peptides and compounds on osteoblasts were greater than the concentrations required to achieve inhibition of bacterial growth in all the species tested. AMP/βCDs inhibited the proliferation of Caco‐2 epithelial cells in a more efficient manner than AMPs alone.Conclusion: AMP/βCD compounds more effectively inhibit periodontopathogenic bacteria than AMPs alone, with the additional ability of inhibiting the proliferation of epithelial cells at concentrations that are non‐cytotoxic for osteoblasts and erythrocytes.
Benchmarking for Major Producers of Limestone in the Czech Republic
Authors: Vanék Michal , Mikoláš Milan , Bora Petr 
Published: March 2013

Streszczenie
Jakość podejmowania decyzji, a tym samym właściwe zarządzanie przedsiębiorstwem, jest ściśle związane z pozyskiwaniem ważnych informacji, którymi powinno dysponować kierownictwo firmy. Jedną z metod po­zyskiwania takich ważnych informacji jest benchmarking. Znaczenie benchmarkingu jest na tyle ważne, że coraz więcej badaczy włącza go jako obowiązkową część składową działalności przedsiębiorstwa. W sferze gospodarki występują jednak trudności z wykorzystaniem tej metody zarządzania z powodu tajemnicy prawa handlowego. Szeroka grupa fachowców jest więc pozbawiona cennych informacji. Nasze opracowanie ma na celu przys­pieszenie zmiany tej sytuacji wprowadzając zasady i pokazując efekty benchmarkingu dla wybranych spółek wydobywających wapienie.
W ramach benchmarkingu wybrano największe spółki górnicze w Republice Czeskiej zajmujące się eks­ploatacją wapieni. Wybrane spółki obejmują obecnie 66% rynku.
Wybrano więc: Ceskomorawsky cement a.s.; Cement Hranice a s.; LOMY MORINA, spol.s r. o; Holcim (Cesko) a. s., członek koncernu ; Velkolom Certovy schody, a. s. Podstawą badań benchmarkingu były wskaźniki finansowe (ROE, stopa zysku) i produkcyjne (koszty, wielkość produkcji DHM, wydajność pracy). Obliczenia tych wskaźników prowadzono dla lat 2008-2010. Ocena danych wykonywana była na podstawie analizy finansowej. Do przeprowadzenia analizy finansowej wybrano metodę matematyczno-statystyczną. Zastosowano metodę normowania zmiennych, której rezultatem było utwo­rzenie rankingu przedsiębiorstw od najlepszego do najgorszego. Wykazano, że znaczenie benchmarkingu można zwiększyć przydzielając wskaźnikom, za pomocą których badany jest obiekt przemysłowy, odpowiednie wagi, zmieniające rangę wybranych wskaźników. W obliczeniach autorzy zdecydowali się zastosować metody Fulliera, a konkretnie trójkąt Fulliera.
W dużej liczbie badanych przedsiębiorstw wydobywczych spółki „Cement Hranice" w podanym wyżej okresie oka, w najgorszej sytuacji znajdowało się przedsiębiorstwo Velkolom Certovy schody a.s
Sport and Recreation Grounds: Urban Society Expectations
Authors: Pawlikowska-Piechotka Anna , Sawicka Karolina 
Published: March 2013

Abstract Recently, changes to our pace of living and to our quality of life (including demands of our leisure possibilities) have been rapid. We now expect higher standards of living filled with goods, services, and recreation activities unimaginable some decades ago. In the last two decades, there have been massive changes in work, communication, and travel resulting in what could be described as “leisure revolution.” The opportunities have increased in terms of both the time available and the variety of ways in which we can spend this time. Several aspects of physical exercise benefits are well recognized: we know that active recreation is especially stimulating and rewarding and that it helps to achieve sharper mental awareness and heightened consciousness. To be able to enjoy everyday outdoor active recreation and sports (netball, badminton, etc.), there has to be a network of recreation grounds and a supply of facilities that respond to the needs and expectations of society.The study of contemporary trends of leisure provision could be an essential spatial planning tool when contemporary housing estates functional programs are considered. Our research study (conducted on the basis of grants ds-114 and ds-144 AWF JP Warsaw; 2008-2012, supported by the Ministry of Science and Higher Education) aimed to provide information on present trends in the area of active recreation that could impinge on leisure facilities expected at urban housing estates (outdoor recreation grounds).
Biographical, Critical, and Other Writings
Authors: McCullough W. S. , Careless J. M. S. , Careless The Editor and Others 
Published: March 2013

Biography, Autobiography, and Reminiscence, reviewed by The Editor Literary and Critical Studies, reviewed by The Editor and Others Books on Religion, reviewed by W. S. McCullough Canada: The Land and the People, reviewed by J. M. S. Careless Other Books, reviewed by The Editor and Others
Reviews
Authors: Leggatt Alexander , Carscallen James , Swales Martin , Webster Jill , Keith  
Published: March 2013

Robert G. Hunter, Shakespeare and the Mystery of God's Judgments, reviewed by Alexander Leggatt S.L. Goldberg, An Essay on King Lear., reviewed by Alexander Leggatt Leeds Barroll, Artificial Persons: The Formation of Character in the Tragedies of Shakespeare, reviewed by Alexander Leggatt Richard Fly, Shakespeare's Mediated World, reviewed by Alexander Leggatt Larry S. Champion, Shakespeare's Tragic Perspective, reviewed by Alexander Leggatt Robert Y. Turner, Shakespeare's Apprenticeship, reviewed by Alexander Leggatt Barbara A. Mowat, The Dramaturgy of Shakespeare's Romances, reviewed by Alexander Leggatt Madeleine Doran, Shakespeare's Dramatic Language, reviewed by Alexander Leggatt Henry Vaughan, Henry Vaughan. The Complete Poems, reviewed by James Carscallen Angel Flores ed., The Problem of 'The Judgment': Eleven Approaches to Kafka's Story, reviewed by Martin Swales Stephen Gilman and Edmund L. King, Selected Essays of America Castro, reviewed by Jill R. Webster David Jones, The Ken sillgton Mass, reviewed by W.J. Keith Ruth Pryor ed.,David Jones: Letters to Vemon Watkins, reviewed by W.J. Keith Samuel Rees, David Jones: An Annotated Bibliography and Guide to Research, reviewed by W.J. Keith Rene Hague, David Jones, reviewed by W.J. Keith Jeremy Hooker, David Jones: An Exploratory Study of the Writings, reviewed by W.J. Keith Roland Mathias ed., David Jones: Eight Essays all his Work as Writer and Artist, reviewed by W.J. Keith Rene Hague, A Commentary on 'The Anathemata' of David Jones, reviewed by W.J. Keith
Reviews
Authors: Patrick Julian , Dane Joseph , Dane Joseph , Zitner Sheldon , Gibbons Thomas , Stroicheff Peter 
Published: March 2013

Michael Riffaterre, Text Production, reviewed by Julian Patrick Jonathan Culler, On Deconstruction: Theory and Criticism after Structuralism, reviewed by Julian Patrick Terry Eagleton, Literary Theory: An Introduction, reviewed by Julian Patrick Vincent B. Leitch, Deconstructive Criticism: An Advanced Introduction, reviewed by Julian Patrick Jonathan Arac, Wlad Godzich, Wallace Martin, eds., The Yale Critics: Deconstruction in America, reviewed by Julian Patrick Christopher Butler, Interpretation, reviewed by Julian Patrick Jesse M. Gellrich, The Idea of the Book in the Middle Ages: Language Theory, Mythology, and Fiction, reviewed by Joseph A. Dane Roland Mushat Frye, The Renaissance Hamlet: Issues and Responses in 1600, reviewed by Sheldon Zitner J. Edward Chamberlin and Sander L. Gilman, eds., Degeneration: The Dark Side of Progress, reviewed by Thomas Gibbons Patrick Brantlinger, Bread and Circuses: Theories of Mass Culture as Social Decay, reviewed by Thomas Gibbons Mieke Bal, Narratology: Introduction to the Theory of Narrative, reviewed by Peter Stoicheff
« Tu peux être prostituée et victime de la traite »
Authors: Jakšić Milena 
Published: March 2013

Les victimes de la traite peuvent bénéficier d’un titre provisoire de séjour du fait même de leur statut de victime. Mais lors de l’examen de leur situation en préfecture avant délivrance de ce titre, il arrive que la victime cède la place à l’étrangère sans papiers, coupable de racolage. Et que dire de celles qui poursuivent une activité prostitutionnelle ? Peut-on être victime et prostituée en France ?
The use of poly (ε‐caprolactone) to enhance the mechanical strength of porous Si‐substituted carbonate apatite
Authors: Bang Le Thi. , Kawachi Giichiro , Nakagawa Masaharu , Munar Melvin , Ishikawa Kunio , Othman Radzali 
Published: March 2013

AbstractPoly(ε‐caprolactone) (PCL)/silicon‐substituted carbonate apatite (Si‐CO3Ap) composite derived from the interconnected porous Si‐CO3Ap reinforced with molten PCL was prepared. PCL was used to improve the mechanical properties of a porous apatite by a simple polymer infiltration method, in which the molten PCL was deposited through the interconnected channel of porous Si‐CO3Ap. The PCL covered and penetrated into the pores of the Si‐CO3Ap to form an excellent physical interaction with Si‐CO3Ap leading to a significant increase in diametral tensile strength from 0.23 MPa to a maximum of 2.04 MPa. The Si‐CO3Ap/PCL composite has a porosity of about 50–60% and an interconnected porous structure, with pore sizes of 50–150 μm which are necessary for bone tissue formation. These results could pave the way for producing a porous, structured biocomposite which could be used for bone replacement. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013
Combinatorial Control of Th17 and Th1 Cell Functions by Genetic Variations in Genes Associated With the Interleukin‐23 Signaling Pathway in Spondyloarthritis
Authors: Coffre Maryaline , Roumier Mathilde , Rybczynska Magda , Sechet Emmanuel , Law Helen K. W. , Gossec Laure , Dougados Maxime , Bianchi Elisabetta , Rogge Lars 
Published: March 2013

ObjectiveRecent genome‐wide association studies have revealed numerous genetic associations between specific single‐nucleotide polymorphisms (SNPs) and immune‐mediated inflammatory diseases. The current challenge is to identify associations of the genetic variants with effector mechanisms implicated in pathogenesis. This study was undertaken to investigate the link between genetic variation at loci associated with spondyloarthritis (SpA) and the effector function of CD4+ T lymphocyte subsets involved in chronic inflammatory disease.MethodsExpression of Th17 and Th1 cytokines and transcription factors was measured in CD4+ T cells isolated from patients with SpA. Correlation analyses were performed to assess potential associations of these expression levels with the patient's genotype at loci genetically linked to SpA.ResultsThe effector functions of Th17 and Th1 cells in patients with SpA were found to be under combinatorial control by multiple SNPs at genes associated with the interleukin‐23 (IL‐23)/Th17 pathway. Patients with SpA carrying risk‐associated alleles of genes in the IL‐23/Th17 pathway expressed the highest levels of genes involved in the differentiation and function of Th17 and Th1 cells, whereas the presence of protective alleles was associated with low‐level expression of these genes. In contrast, variation at loci that were genetically linked to SpA, but not associated with the IL‐23 pathway, did not affect the expression of Th17‐ and Th1‐specific genes, suggesting that these SNPs may contribute to the pathogenesis of SpA through distinct cellular mechanisms.ConclusionThese results show that genetic variations at genes associated with the IL‐23 signaling pathway may influence the effector functions of Th17 and Th1 cells in patients with SpA. These findings provide a framework to delineate the mechanisms by which genetic variants contribute to pathology.