bluuebunny/crossref_metadata_2025_split huggingface dataset:
Design and analysis of demand‐adapted railway timetables
Authors: Canca David , Barrena Eva , Algaba Encarnación , Zarzo Alejandro 
Published: January 2014

SUMMARYRailway scheduling and timetabling are common stages in the classical hierarchical railway planning process and they perhaps represent the step with major influence on user's perception about quality of service. This aspect, in conjunction with their contribution to service profitability, makes them a widely studied topic in the literature, where, nowadays, many efforts are focused on improving the solving methods of the corresponding optimization problems. However, literature about models considering detailed descriptions of passenger demand is sparse. This paper tackles the problem of timetable determination by means of building and solving a nonlinear integer programming model that fits the arrival and departure train times to a dynamic behavior of demand. The optimization model results are then used for computing several measures to characterize the quality of the obtained timetables considering jointly both user and company points of view. Some aspects are discussed, including the influence of train capacity and the validity of Random Incidence Theorem. An application to the C5 line of Madrid rapid transit system is presented. Different measures are analyzed in order to improve the insight into the proposed model and analyze in advance the influence of different objectives on the resulting timetable. Copyright © 2014 John Wiley & Sons, Ltd.
Peroxyoxalate chemiluminescence enhanced by oligophenylenevinylene fluorophores in the presence of various surfactants
Authors: Motoyoshiya Jiro , Takigawa Setsuko 
Published: January 2014

ABSTRACTThe effect of several surfactants on peroxyoxalate chemiluminescence (PO‐CL) using oligophenylenevinylene fluorophores was investigated. Among several oligophenylenevinylenes consisting of stilbene units, linearly conjugated ones, such as distyrylbenzene and distyrylstilbene, effectively enhanced PO‐CL efficiency. Various effects of anionic, cationic, amphoteric and non‐ionic surfactants on the CL efficiency of PO‐CL were determined using three oxalates and the distyrylbenzene fluorophore. Anionic and non‐ionic surfactants effectively enhanced CL efficiency, in contrast to the negative effect of cationic and amphoteric surfactants. Non‐ionic surfactants were also effective in CL reactions of oxalates bearing dodecyl ester groups by the hydrophobic interaction between their alkyl chains. Considering these results, the surfactants not only increase the concentrations of water‐insoluble interacting species in the hydrophobic micelle cores, but also control rapid degradation of the oxalates by alkaline hydrolysis. Copyright © 2014 John Wiley & Sons, Ltd.
HMG‐CoA reductase inhibitors (statins), inflammation, and endothelial progenitor cells—New mechanistic insights of atherosclerosis
Authors: Blum Arnon 
Published: January 2014

AbstractStatins have been shown to favorably affect the prognosis of patients with risk factors to atherosclerosis—both as a primary and a secondary prevention. The beneficial effects observed with statin therapy are not merely related to changes in lipid profile but also are due to a positive effect on vascular inflammation and on immune‐modulation of T lymphocytes and endothelial progenitor stem cells (EPCs). This dual effect has been demonstrated mainly in clinical trials where a change in endothelial function was observed within hours, much earlier than the effects of statins on the lipid profile (weeks). Based on all the knowledge that we have today questions were raised as to the mechanistic pathways that may explain the process of atherosclerosis and through this pathway to find better solutions and therapies to prevent and fight atherosclerosis. Our review will focus on the new updates in the field of inflammation and stem cells in vascular biology—in relation with atherosclerosis. © 2014 BioFactors, 40(3):295–302, 2014
Sensitive LC‐MS/MS‐ESI method for simultaneous determination of montelukast and fexofenadine in human plasma: application to a bioequivalence study
Authors: Muppavarapu Rajendraprasad , Guttikar Swati , Rajappan Manavalan , Kamarajan Kannan , Mullangi Ramesh 
Published: January 2014

ABSTRACTA rapid, simple, sensitive and selective LC‐MS/MS method was developed and validated for simultaneous quantification of montelukast (MT) and fexofenadine (FF) in human plasma (200 μL) using montelukast‐d6 (MT‐d6) and fexofenadine‐d10 (FF‐d10), respectively as an internal standard (IS) as per the US Food and Drug Administration guidelines. The chromatographic resolution was achieved on a Chromolith RP18e column using an isocratic mobile phase consisting of 20 mm ammonium formate–acetonitrile (20:80, v/v) at flow rate of 1.2 mL/min. The LC‐MS/MS was operated under the multiple‐reaction monitoring mode using electrospray ionization. The total run time of analysis was 4 min and elution of MT, FF, MT‐d6 and FF‐d10 occurred at 2.5, 1.2, 2.4 and 1.2 min, respectively. The standard curve found to be linear in the range 2.00–1000 ng/mL with a coefficient of correlation of ≥0.99 for both the drugs. The intra‐ and inter‐day accuracy and precision values for MT and FF met the acceptance as per FDA guidelines. MT and FF were found to be stable in a battery of stability studies viz., bench‐top, auto‐sampler and repeated freeze‐thaw cycles. The validated assay was applied to an oral bioequivalence study in humans. Copyright © 2014 John Wiley & Sons, Ltd.
A Typology of Ideological Attitudes Towards Social Solidarity and Social Control
Authors: Likki Tiina , Staerklé Christian 
Published: January 2014

ABSTRACTResearch on ideological attitudes has identified two main dimensions that refer to two fundamental features of group organization: social solidarity and social control. In response to prior research that has studied their relationship mainly from a correlational perspective, this paper introduces a social reality model based on psychological functionality of ideological attitudes. Social position variables (education, income and material vulnerability) and insecurity variables (fear of crime and distrust) are used to predict the interplay between ideological attitudes towards social solidarity and social control. Using K‐means cluster analysis, a typology with four patterns of support for solidarity and control (‘socials’, ‘repressives’, ‘minimalists’ and ‘social‐repressives’) was created, on the basis of representative survey data for the UK, France and Germany (N = 7034). Results from logistic regression analyses show that the proposed social reality model explains membership in typology categories, with similar results across the three countries. Overall, the model underscores the social origins of ideological attitudes as functional responses to perceived social reality. The paper illustrates how the social psychological study of ideological attitudes may be enriched by a typological approach that examines patterns of attitudes rather than single dimensions. Copyright © 2014 John Wiley & Sons, Ltd.
Building a Committed Hospice Volunteer Workforce—Do Variables at the Experience Stage Matter?
Authors: Schusterschitz Claudia , Flatscher‐Thöni Magdalena , Leiter‐Scheiring Andrea M. , Geser Willi 
Published: January 2014

ABSTRACTVolunteers are crucial to the survival of non‐profit organisations, who therefore have a fundamental interest in sustaining voluntary engagement over time. A central variable regarding sustained voluntary engagement is volunteers' organisational commitment, which has so far been a neglected research issue. The study at hand therefore explicitly focuses on hospice volunteers' commitment. Starting from the assumption that variables at the experience stage of volunteerism may be relevant in predicting volunteer commitment, questionnaire data on volunteers' motives, motive fulfilment and role identity were collected in a sample of hospice volunteers (N = 276). Results of multiple regression analyses show positive relationships between altruistic motive fulfilment and a volunteer role identity on the one hand and volunteer commitment on the other. Observed interaction effects imply that altruistic motive fulfilment is of importance both at the initial phase of volunteering and for long‐term volunteers. Moreover, interaction effects provide evidence that the fulfilment of egoistic motives is of particular importance amongst volunteers to whom egoistic motives are central. Thus, the fulfilment of altruistic motives and facilitating the development of a volunteer role identity should be permanent concerns in building a committed workforce. Egoistic motive fulfilment in contrast is of special relevance, when egoistic motives for volunteering are strong. Copyright © 2014 John Wiley & Sons, Ltd.
Stigmatised Identity and Service Usage in Disadvantaged Communities: Residents', Community Workers' and Service Providers' Perspectives
Authors: Stevenson Clifford , McNamara Niamh , Muldoon Orla 
Published: January 2014

ABSTRACTThe impact of community stigmatisation upon service usage has been largely overlooked from a social identity perspective. Specifically, the social identity‐mediated mechanisms by which stigmatisation hinders service use remain unspecified. The present study examines how service providers, community workers and residents recount their experience of the stigmatisation of local community identity and how this shapes residents' uptake of welfare, education and community support services. Twenty individual and group interviews with 10 residents, 16 community workers and six statutory service providers in economically disadvantaged communities in Limerick, Ireland, were thematically analysed. Analysis indicates that statutory service providers endorsed negative stereotypes of disadvantaged areas as separate and anti‐social. The awareness of this perceived division and the experience of ‘stigma consciousness’ was reported by residents and community workers to undermine trust, leading to under‐utilisation of community and government services. We argue that stigmatisation acts as a ‘social curse’ by undermining shared identity between service users and providers and so turning a potentially cooperative intragroup relationship into a fraught intergroup one. We suggest that tackling stigma in order to foster a sense of shared identity is important in creating positive and cooperative service interactions for both service users and providers. Copyright © 2014 John Wiley & Sons, Ltd.
Catalytic Scope of the Thiamine‐Dependent Multifunctional Enzyme Cyclohexane‐1,2‐dione Hydrolase
Authors: Loschonsky Sabrina , Waltzer Simon , Fraas Sonja , Wacker Tobias , Andrade Susana L. A. , Kroneck Peter M. H. , Müller Michael 
Published: January 2014

AbstractThe thiamine diphosphate (ThDP)‐dependent enzyme cyclohexane‐1,2‐dione hydrolase (CDH) was expressed in Escherichia coli and purified by affinity chromatography (Ni‐NTA). Recombinant CDH showed the same CC bond‐cleavage and CC bond‐formation activities as the native enzyme. Furthermore, we have shown that CDH catalyzes the asymmetric cross‐benzoin reaction of aromatic aldehydes and (decarboxylated) pyruvate (up to quantitative conversion, 92–99 % ee). CDH accepts also hydroxybenzaldehydes and nitrobenzaldehydes; these previously have not (or only in rare cases) been known as substrates of other ThDP‐dependent enzymes. On a semipreparative scale, sterically demanding 4‐(tert‐butyl)benzaldehyde and 2‐naphthaldehyde were transformed into the corresponding 2‐hydroxy ketone products in high yields. Additionally, certain benzaldehydes with electron withdrawing substituents were identified as potential inhibitors of the ligase activity of CDH.
Fe3O4–SiO2–P4VP pH‐Sensitive Microgel for Immobilization of Nickel Nanoparticles: An Efficient Heterogeneous Catalyst for Nitrile Reduction in Water
Authors: Nabid Mohammad Reza , Bide Yasamin , Niknezhad Mahvash 
Published: January 2014

AbstractFe3O4 magnetic nanoparticles (MNPs) were modified with (3‐aminopropyl)triethoxysilane through silanization. An atom transfer radical polymerization‐initiating site immobilized onto amine‐functionalized Fe3O4 MNPs. The surface‐initiated atom transfer radical polymerization of 4‐vinylpyridine was then performed in the presence of Fe3O4–SiO2–Br nanoparticles, which led to the formation of Fe3O4–SiO2–P4VP [P4VP=poly(4‐vinylpyridine)] hybrid microgels cross‐linked with Fe3O4 MNPs. Our approach uses polymer microgels as templates for the synthesis of nickel nanoparticles (NiNPs). The tunable properties of synthesized NiNPs@Fe3O4–SiO2–P4VP pH‐sensitive microgels were used in the catalytic reduction of aliphatic and aromatic nitriles. Moreover, the catalytic activity of metal nanocomposites that can be modulated by the volume transition of microgel structures with changing pH has been evaluated. TEM, X‐ray photoelectron spectroscopy, thermogravimetric analysis, atomic absorption spectroscopy, XRD, UV/Vis spectroscopy, and FTIR spectroscopy were used to characterize the resultant catalyst.
Rational Design of a Solvatochromic Fluorescent Uracil Analogue with a Dual‐Band Ratiometric Response Based on 3‐Hydroxychromone
Authors: Dziuba Dmytro , Karpenko Iuliia A. , Barthes Nicolas P. F. , Michel Benoît Y. , Klymchenko Andrey S. , Benhida Rachid , Demchenko Alexander P. , Mély Yves , Burger Alain 
Published: January 2014

AbstractFluorescent nucleoside analogues with strong and informative responses to their local environment are in urgent need for DNA research. In this work, the design, synthesis and investigation of a new solvatochromic ratiometric fluorophore compiled from 3‐hydroxychromones (3HCs) and uracil fragments are reported. 3HC dyes are a class of multi‐parametric, environment‐sensitive fluorophores providing a ratiometric response due to the presence of two well‐resolved bands in their emission spectra. The synthesized conjugate demonstrates not only the preservation but also the improvement of these properties. The absorption and fluorescence spectra are shifted to longer wavelengths together with an increase of brightness. Moreover, the two fluorescence bands are better resolved and provide ratiometric responses across a broader range of solvent polarities. To understand the photophysical properties of this new fluorophore, a series of model compounds were synthesized and comparatively investigated. The obtained data indicate that uracil and 3HC fragments of this derivative are coupled into an electronic conjugated system, which on excitation attains strong charge‐transfer character. The developed fluorophore is a prospective label for nucleic acids.Abstract in Ukrainian: magnified image
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A Donor‐Stabilized Zwitterionic “Half‐Parent” Phosphasilene and Its Unusual Reactivity towards Small Molecules
Authors: Hansen Kerstin , Szilvási Tibor , Blom Burgert , Irran Elisabeth , Driess Matthias 
Published: January 2014

AbstractThe stabilization of the labile, zwitterionic “half‐parent” phosphasilene 4 L′SiPH (L′=CH[(CCH2)CMe(NAr)2]; Ar=2,6‐iPr2C6H3) could now be accomplished by coordination with two different donor ligands (4‐dimethylaminopyridine (DMAP) and 1,3,4,5‐tetramethylimidazol‐2‐ylidene), affording the adducts 8 and 9, respectively. The DMAP‐stabilized zwitterionic “half‐parent” phosphasilene 8 is capable of transferring the elusive parent phosphinidene moiety (:PH) to an unsaturated organic substrate, in analogy to the “free” phosphasilene 4. Furthermore, compounds 4 and 8 show an unusual reactivity of the SiP moiety towards small molecules. They are capable of adding dimethylzinc and of activating the SH bonds in H2S and the NH bonds in ammonia and several organoamines. Interestingly, the DMAP donor ligand of 8 has the propensity to act as a leaving group at the phosphasilene during the reaction. Accordingly, treatment of 8 with H2S affords, under liberation of DMAP, the unprecedented thiosilanoic phosphane LSiS(PH2) 16 (L=HC(CMe[2,6‐iPr2C6H3N])2). Compounds 4 and 8 react with ammonia both affording L′Si(NH2)PH2 17, respectively. In addition, the reaction of 8 with isoproylamine, p‐toluidine, and pentafluorophenylhydrazine lead to the corresponding phosphanylsilanes L′Si(PH2)NHR (R=iPr 18 a; R=C6H5CH3 18 b, R=NH(C6F5) 18 c), respectively.
Reversible Light‐Driven Polymerization of Polyoxometalate Tethered with Coumarin Molecules
Authors: Tong UnSong , Chen Wei , Ritchie Chris , Wang Xiaoting , Song Yu‐Fei 
Published: January 2014

AbstractA new photosensitive polyoxometalate (POM) organic–inorganic hybrid compound has been prepared by covalently tethering coumarin moieties onto a Mn–Anderson cluster. This compound has been fully characterized by 1H NMR, 13C NMR, FTIR, and UV/Vis spectroscopy, and ESI‐MS. This organic–inorganic hybrid compound can undergo reversible light‐driven polymerization and this process has been characterized in detail.
Ruthenium(II)/Chiral Brønsted Acid Co‐Catalyzed Enantioselective Four‐Component Reaction/Cascade Aza‐Michael Addition for Efficient Construction of 1,3,4‐Tetrasubstituted Tetrahydroisoquinolines
Authors: Jiang Jun , Ma Xiaochu , Ji Changge , Guo Zhenqiu , Shi Taoda , Liu Shunying , Hu Wenhao 
Published: January 2014

AbstractAn elegant synergistic catalytic system comprising a ruthenium complex with a chiral Brønsted acid was developed for a four‐component Mannich/cascade aza‐Michael reaction. The ruthenium‐associated ammonium ylides successfully trapped with in situ generated imines indicates a stepwise process of proton transfer in the ruthenium‐catalyzed carbenoid NH insertion reaction. The different decomposition abilities of various ruthenium complexes towards diazo compounds were well explained by the calculated thermodynamic data. The transformation features a mild, rapid, and efficient method for the synthesis of enantiomerically pure 1,3,4‐tetrasubstituted tetrahydroquinolines bearing a quaternary stereogenic carbon center from simple starting precursors in moderate yields with high diastereo‐ and enantioselectivity.
Stable Isolated Metal Atoms as Active Sites for Photocatalytic Hydrogen Evolution
Authors: Xing Jun , Chen Jian Fu , Li Yu Hang , Yuan Wen Tao , Zhou Ying , Zheng Li Rong , Wang Hai Feng , Hu P. , Wang Yun , Zhao Hui Jun , Wang Yong , Yang Hua Gui 
Published: January 2014

AbstractInvited for the cover of this issue is the group of Hua Gui Yang at the East China University of Science and Technology. The image depicts the stable single Pt atoms on TiO2 as active sites for photocatalytic hydrogen production. Read the full text of the article at 10.1002/chem.201303366.
ChemInform Abstract: (GeTe)nSbInTe3 (n ≤ 3)—Element Distribution and Thermal Behavior.
Authors: Fahrnbauer Felix , Urban Philipp , Welzmiller Simon , Schroeder Thorsten , Rosenthal Tobias , Oeckler Oliver 
Published: January 2014

AbstractHomogeneous bulk samples of GeSbInTe4 (trigonal space group R$\bar 3$m, Z = 3), Ge2SbInTe5 (trigonal space group P$\bar 3$m1, Z = 1), and Ge3SbInTe6 (trigonal space group R$\bar 3$m, Z = 3) are obtained by melting of the elements (950 °C, 1, 2, and 18 h, resp.) and subsequent annealing (450, 450, and 300 °C for 3, 5, and 11 d, resp.).
ChemInform Abstract: Magnetic Properties of Ln2MnGe6 (Ln: La, Ce) and YMn0.3Ge2 Germanides.
Authors: Duraj R. , Konyk M. , Przewoznik J. , Romaka L. , Szytula A. 
Published: January 2014

AbstractThe title compounds are prepared by arc‐melting of the elements followed by annealing at 870 K for 4 weeks.
ChemInform Abstract: Synthesis and Structural Characterization of New Ettringite and Thaumasite Type Phases: Ca6 [Ga(OH)6·12H2O] 2(SO4)3·2H2O and Ca6 [M(OH)6·12H2O] 2(SO4)2(CO3)2, M: Mn, Sn.
Authors: Norman Rachel L. , Dann Sandra E. , Hogg Simon C. , Kirk Caroline A. 
Published: January 2014

AbstractThe new title phases along with ettringite, Ca6 [Al(OH)6·12H2O] 2(SO4)3·2H2O, and its known iron analogue are prepared from solutions of M2(SO4)3 (M: Al, Fe, Ga) or MSO4 (M: Mn, Sn) and CaO mixed with a 10% aq.
ChemInform Abstract: Broensted Acid—Base Reactions with Anhydrous Sulfamates as a Pathway to [SO3N]3‐‐Containing Compounds: Preparation of Li3SO3N.
Authors: Kurzman Joshua A. , Jouan Gauthier , Courty Matthieu , Palacin M. Rosa , Armand Michel , Recham Nadir 
Published: January 2014

AbstractLi3SO3N is prepared by ball‐milling LiSO3NH2 with a slight excess of LiNH2 or LiH for 4 h followed by annealing at 400—450 °C.
ChemInform Abstract: Synthesis, Crystal Structure and Magnetic Properties of Li2InMo3O8: A Novel Reduced Molybdenum Oxide Containing Magnetic Mo3 Clusters.
Authors: Gall Philippe , Al Orabi Rabih Al Rahal , Guizouarn Thierry , Gougeon Patrick 
Published: January 2014

AbstractThe title compound is synthesized by solid state reaction of a stoichiometric mixture of Li2MoO4, In2O3, MoO3, and Mo (850 °C, 2 d).
ChemInform Abstract: Tungsten Oxychloride Compounds Containing [W6O6Cl12]n‐ (n = 2, 3) Clusters.
Authors: Hummel Thorsten , Glaser Jochen , Stroebele Markus , Meyer H.‐Juergen 
Published: January 2014

AbstractCompounds (III) and (V) are obtained by simple neutralization of aq.
ChemInform Abstract: A New Phase in the MnII—SeIV—MoVI—O System, Mn(MoO3)(SeO3)(H2O): Hydrothermal Synthesis, Crystal Structure and Properties.
Authors: Zhen Yanzhong , Wang Danjun , Liu Bin , Fu Feng , Xue Ganglin 
Published: January 2014

AbstractThe title compound is hydrothermally synthesized from an aqueous mixture of Na2MoO4, SeO2, and MnSO4 (autoclave, 160 °C, 4 d, 82% yield).
ChemInform Abstract: High‐Pressure Synthesis and Crystal Structure of the Mixed Valent Iron Borate Fe8B15O28(OH)8.
Authors: Neumair Stephanie C. , Perfler Lukas , Winter Florian , Poettgen Rainer , Heymann Gunter , Huppertz Hubert 
Published: January 2014

AbstractThe new FeII/FeIII mixed‐valent title compound is obtained from a stoichiometric mixture of Fe2O3 and H3BO3 under high pressure/high temperature conditions (BN crucible, multianvil device, 12 GPa, 850 °C, 15 min).
ChemInform Abstract: New Rhodium‐Rich Germanides RERh6Ge4 (RE: Y, La, Pr, Nd, Sm—Lu).
Authors: Vosswinkel Daniel , Niehaus Oliver , Poettgen Rainer 
Published: January 2014

AbstractThe title compounds are obtained by arc melting of the elements, remelting, and heating to 1400 K (sealed silica tube, cooling from 1400 to 900 K within 240 h).
ChemInform Abstract: Ruthenium‐Catalyzed Transfer‐Hydrogenative Cyclization of 1,6‐Diynes with Hantzsch 1,4‐Dihydropyridine as a H2 Surrogate.
Authors: Yamamoto Yoshihiko , Mori Shota , Shibuya Masatoshi 
Published: January 2014

AbstractA hydrogenative cyclization of 1,6‐diynes is developed using Ru‐catalysis and the Hantzsch 1,4‐dihydropyridine as hydrogen source.
ChemInform Abstract: Zinc/Iron‐Mediated Ring Opening of Dibromocyclopropanes for in situ Diels—Alder Reactions with Electron‐Deficient Aldehydes and Imines.
Authors: Puenner Florian , Hilt Gerhard 
Published: January 2014

AbstractIn the presence of ZnBr2/Fe and aldehydes, α‐ketoesters or electron‐deficient imines dibromocyclopropanes of type (I) and (VIII) smoothly undergo ring opening giving 2,3‐dienes.
ChemInform Abstract: Asymmetric Transfer Hydrogenation of Functionalized Acetylenic Ketones.
Authors: Fang Zhijia , Wills Martin 
Published: January 2014

AbstractAn extended study on the application of the recently reported catalyst Teth—TosDPEN—RuCl (RTT) in asymmetric transfer hydrogenation reactions of acetylenic dicarbonyl compounds is presented.
ChemInform Abstract: Concise Asymmetric Synthesis of a (1R,2S)‐1‐Amino‐2‐vinylcyclopropanecarboxylic Acid‐Derived Sulfonamide and Ethyl Ester.
Authors: Lou Sha , Cuniere Nicolas , Su Bao‐Ning , Hobson Lindsay A. 
Published: January 2014

AbstractThe asymmetric cyclopropanation of protected glycine derivative (I) gives rise to vinylcyclopropanecarboxylic acid ethyl ester with 77—81% e.e.
ChemInform Abstract: Stereocontrolled Synthesis of (E,Z)‐Dienals via Tandem Rh(I)‐Catalyzed Rearrangement of Propargyl Vinyl Ethers.
Authors: Vidhani Dinesh , Krafft Marie E. , Alabugin Igor V. 
Published: January 2014

AbstractPropargyl vinyl ethers undergo Rh‐catalyzed Claisen rearrangement followed by stereoselective proton transfer to provide (E,Z)‐dienals.