bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structural, Spectroscopic, and Proton‐Coupled Electron‐transfer Behavior of Pyrazolyl‐3,5‐bis(benzimidazole)‐Bridged Homo‐ and Heterochiral RuIIRuII, OsIIOsII, and OsIIRuII 2,2′‐Bipyridine Complexes
Authors: Baitalik Sujoy , Dutta Supriya , Biswas Papu , Flörke Ulrich , Bothe Eberhard , Nag Kamalaksha 
Published: December 2009

AbstractThe homo‐ and heterobimetallic complexes [(bpy)2MII(H2pzbzim)M′II(bpy)2](ClO4)3·nH2O (1, 3, 5) and their corresponding deprotonated complexes [(bpy)2MII(pzbzim)M′II(bpy)2](ClO4)·nH2O (2, 4, 6) [where MII, M′II = Ru (1, 2) = Os (3, 4); MII = Os and M′II = Ru (3, 5); bpy = 2,2′‐bipyridine; H3pzbzim = pyrazole‐3,5‐bis(benzimidazole)] were synthesized, separated to their heterochiral (a, ΛΔ/ΔΛ) and homochiral (b, ΛΛ/ΔΔ) diastereoisomers, and characterized by elemental analyses, ESI‐MS, and 1H NMR spectroscopy. The X‐ray structures of 1a, 3a, and 5a show the involvement of two pyridine rings of two bpy ligands in strong intramolecular nonbonded π–π interaction. The occurrence of a C–H···π interaction between an aromatic C–H and the π‐cloud of a pyridine ring leads to strong electronic shielding of this proton (1H NMR). In all cases, the two diastereoisomers show practically no differences in their absorption spectra, redox potentials, and pK values. The large shifts in the E1/2 values to less positive potentials and substantial redshifts in the MLCT bands that occur on deprotonation of 1, 3, and 5 are energetically correlated. From the profiles of E1/2(1), (2) vs. pH over the pH range 1–12, the equilibrium constants and standard redox potentials for all the complex species in the metal oxidation states II·II, II·III, and III·III and the bridged ligand in the protonation states H2pzbzim–, Hpzbzim2–, and pzbzim3– have been evaluated. Using these values the bond dissociation free energies for the benzimidazole N–H bonds have been estimated. Spectroelectrochemical studies have been carried out for 1a, 3a, and 5a in the range 400–1100 nm. With stepwise oxidation of the metal centers replacement of MLCT bands by LMCT bands occur gradually with the observation of sharp isosbestic points. In the case of 1a, a band observed at λmax = 910 nm for the RuIIRuIII species has been ascribed to intervalence charge transfer (IVCT) transition.
“Dry” and “Wet” Green Synthesis of 2,2′‐Disubstituted Quinazolinones
Authors: Miklós Ferenc , Fülöp Ferenc 
Published: December 2009

AbstractAn extremely convenient, environmentally benign spirocyclization under either aqueous or solventless conditions, developed for the preparation of spiro[cyclohexane‐1,2′‐(1′H)‐quinazolin]‐4′(3′H)‐one (3), has been utilized to convert α‐ and β‐aminocarboxamides 5a, 5b, 6a–c and 9 and cycloalkanones 2–2b and alkanones 2c–e into 1,4‐diazaspiro[4.5]decan‐2‐one (10) and cis‐, diexo‐ or diendo‐2,2′‐disubstituted quinazolinones 5a, 5b, 7a–f and 8. diexo‐Methylene‐bridged carboxamides 6a and 6b were treated “on water” with N‐benzylpiperidinone (11) to afford spiropiperidine–quinazolinones 12a and 12b. All these reactions were performed at room temperature, without any catalyst or co‐solvent, and gave yields of up to 99 %.
New Accounting for Lessees
Authors: Ciesielski Jack T. , Weirich Thomas R. 
Published: December 2009

AbstractSince 1976, lease accounting by lessees has been fairly consistent. But in March 2009, the Financial Accounting Standards Board and the International Accounting Standards Board issued a “joint discussion paper”—and if its provisions become a final standard, it means big changes in accounting for lessees.Companies need to understand the proposed changes and plan ahead. This article will help. © 2010 Wiley Periodicals, Inc.
Monitoring hepatitis C infection in a major Swedish nephrology unit and molecular resolution of a new case of nosocomial transmission
Authors: Almroth Gabriel , Ekermo Bengt , Åkerlind Britt , Månsson Ann‐Sofie , Widell Anders 
Published: December 2009

AbstractHepatitis C virus (HCV) infection is a frequent problem in hemodialysis units. The prevalence and incidence of HCV infection over a decade were studied in a nephrology unit affected by previous nosocomial HCV transmission. The HCV non‐structural 5B protein gene was sequenced to achieve phylogenetic analysis of a new (incident) case of infection. Proportions of patients who were and were not infected with HCV remained similar over the period, as did the inflow and outflow of patients infected previously. In 1997, 12/157 (8%) of patients at the unit (treatment: hemodialysis, peritoneal dialysis, and renal transplant recipients) were positive in HCV RNA, whereas in 2007 the overall number was 9/239 (4%). One patient acquired an HCV infection, and the NS5B sequence in that case clustered with genotype 2b sequences found in patients from an earlier outbreak. Comparing the HCV from the incident patient with several stored longitudinal samples and cloned PCR products from the most likely source patient revealed close phylogenetic relationship with an HCV quasispecies member from the possible source. The source patient and the incident newly infected patient were not scheduled on the same dialysis shift, although the records showed that simultaneous treatment occurred on two occasions during the months preceding transmission. In conclusion, over the 10‐year period, the proportion of HCV‐infected patients at the unit was unchanged. Only one new infection occurred, which originated from a fellow patient's quasispecies. This establishes phylogenetic analysis as a valuable tool for tracing patient sources of HCV transmission. J. Med. Virol. 82:249–256, 2010. © 2009 Wiley‐Liss, Inc.
XRD studies, vibrational spectra, and molecular structure of 1H‐imidazo [4,5‐b]pyridine based on DFT quantum chemical calculations
Authors: Dymińska L. , Ga̧gor A. , Ma̧czka M. , Wȩgliński Z. , Hanuza J. 
Published: December 2009

AbstractThe molecular structures and vibrational properties of 1H‐imidazo[4,5‐b]pyridine in its monomeric and dimeric forms are analyzed and compared to the experimental results derived from the X‐ray diffraction (XRD), infrared (IR), and Raman studies. The theoretical data are discussed on the basis of density functional theory (DFT) quantum chemical calculations using Lee–Yang–Parr correlation functional (B3LYP) and 6‐31G(d,p) basis. This compound crystallizes in orthorhombic structure, space group Pna21(C2v9) and Z = 4. The planar conformation of the skeleton and presence of the NH···N hydrogen bond was found to be characteristic for the studied system. The temperature dependence of IR and Raman modes was studied in the range 4–294 K and 8–295 K, respectively. The normal modes, which are unique for the imidazopyridine derivatives are identified. Copyright © 2009 John Wiley & Sons, Ltd.
In‐Line Monitoring of Vinyl Chloride Suspension Polymerization with Near‐Infrared Spectroscopy, 1 – Analysis of Morphological Properties
Authors: de Faria João Miguel , Machado Fabricio , Lima Enrique Luis , Pinto José Carlos 
Published: December 2009

AbstractIt is demonstrated that during suspension polymerizations it is possible to monitor morphological characteristics of PVC resins such as bulk density, cold plasticizer absorption and average particle diameter in‐line and in real time using NIR spectroscopy. NIR spectra are obtained at different experimental conditions, showing that the spectra are sensitive to changes in the PVC properties. Standard mathematical procedures (partial least squares regression) are used to build empirical models and correlate the morphological properties with the obtained NIR spectra, allowing for monitoring of the PVC morphology in‐line and in real time.magnified image
A variationally consistent mesh adaptation method for triangular elements in explicit Lagrangian dynamics
Authors: Lahiri Sudeep K. , Bonet Javier , Peraire Jaume 
Published: December 2009

AbstractIn this paper a variational formulation for mesh adaptation procedures, involving local mesh changes for triangular meshes, is presented. Such local adaptive changes are very well suited for explicit methods as they do not involve significant computational expense. They also greatly simplify the projection of field variables from the old to the new meshes. Crucially, the variational nature of the formulation used to derive the equilibrium equations at steps where adaptation takes place ensures that conservation of linear and angular momentum is obtained (Int. J. Numer. Meth. Engng 2000; 49:1295–1325). Several examples in 2‐D showing the application of the proposed adaptive algorithms are used to demonstrate the validity of the methodology proposed. Copyright © 2009 John Wiley & Sons, Ltd.
Stability and accuracy analysis of a discrete model reference adaptive controller without and with time delay
Authors: Bursi Oreste S. , Stoten David P. , Tondini Nicola , Vulcan Leonardo 
Published: December 2009

AbstractAdaptive control techniques can be applied to dynamical systems whose parameters are unknown. We propose a technique based on control and numerical analysis approaches to the study of the stability and accuracy of adaptive control algorithms affected by time delay. In particular, we consider the adaptive minimal control synthesis (MCS) algorithm applied to linear time‐invariant plants, due to which, the whole controlled system generated from state and control equations discretized by the zero‐order‐hold (ZOH) sampling is nonlinear. Hence, we propose two linearization procedures for it: the first is via what we term as physical insight and the second is via Taylor series expansion. The physical insight scheme results in useful methods for a priori selection of the controller parameters and of the discrete‐time step. As there is an inherent sampling delay in the process, a fixed one‐step delay in the discrete‐time MCS controller is introduced. This results in a reduction of both the absolute stability regions and the controller performance. Owing to the shortcomings of ZOH sampling in coping with high‐frequency disturbances, a linearly implicit L‐stable integrator is also used within a two degree‐of‐freedom controlled system. The effectiveness of the methodology is confirmed both by simulations and by experimental tests. Copyright © 2009 John Wiley & Sons, Ltd.
Lie‐Poisson integrators: A Hamiltonian, variational approach
Authors: Ma Zhanhua , Rowley Clarence W. 
Published: December 2009

AbstractIn this paper we present a systematic and general method for developing variational integrators for Lie‐Poisson Hamiltonian systems living in a finite‐dimensional space 𝔤*, the dual of Lie algebra associated with a Lie group G. These integrators are essentially different discretized versions of the Lie‐Poisson variational principle, or a modified Lie‐Poisson variational principle proposed in this paper. We present three different integrators, including symplectic, variational Lie‐Poisson integrators on G×𝔤* and on 𝔤×𝔤*, as well as an integrator on 𝔤* that is symplectic under certain conditions on the Hamiltonian. Examples of applications include simulations of free rigid body rotation and the dynamics of N point vortices on a sphere. Simulation results verify that some of these variational Lie‐Poisson integrators are good candidates for geometric simulation of those two Lie‐Poisson Hamiltonian systems. Copyright © 2009 John Wiley & Sons, Ltd.
Analysis of the budding yeast pH 4–7 proteome in meiosis
Authors: Grassl Julia , Scaife Caitriona , Polden Julie , Daly Catherine N. , Iacovella Maria G. , Dunn Michael J. , Clyne Rosemary K. 
Published: December 2009

AbstractMeiosis, the developmental programme generating haploid gametes from diploid precursors, requires two cell divisions and many innovations. In budding yeast, a large number of genes are expressed exclusively during meiosis while others are repressed compared to vegetative growth. Microarray analysis has shown that gene expression during meiosis is highly regulated, and has been used to classify yeast genes according to meiotic temporal expression pattern. In this study, we have begun to investigate the kinetics of meiotic protein expression using a proteomics approach. 2‐D DIGE was used to characterise the temporal protein expression patterns of the budding yeast pH 4–7 proteome in meiosis. More than 1400 meiotic protein spots were visualised and at least 63 spots were temporally regulated during meiosis in a statistically significant manner. Gel spots with significant expression changes were excised and 26 unique proteins were identified using LC‐MS/MS. The identified proteins could be classified into functional categories and the genes encoding a number of these were previously shown to be involved in yeast sporulation and meiosis. This data set was used to assemble the first differential 2‐D PAGE map of budding yeast meiosis, which can be accessed through a web server. This work represents one of the first quantitative proteomic analyses of meiosis in yeast and will provide a valuable resource for future investigations.
Macrocyclization of polymers via ring‐closing metathesis and azide/alkyne‐“click”‐reactions: An approach to cyclic polyisobutylenes
Authors: Schulz Matthias , Tanner Susanne , Barqawi Haitham , Binder Wolfgang H. 
Published: December 2009

AbstractThe end‐to‐end cyclization of telechelic polyisobutylenes (PIB's) toward cyclic polyisobutylenes is reported, using either ring‐closing metathesis (RCM) or the azide/alkyne‐“click”‐reaction. The first approach uses bisallyl‐telchelic PIB's (Mn = 1650, 3680, 9770 g mol−1) and Grubbs 1st‐, 2nd‐, and 3rd‐generation catalyst leading to cyclic PIB's in 60–80% yield, with narrow polydispersities (Mw/Mn = 1.25). Azide/alkyne‐“click”‐reactions of bisalkyne‐telechelic PIB's (Mn = 3840 and 9820 g mol−1) with excess of 1,11‐diazido‐undecane leads to the formation of mixtures of linear/cyclic PIB's under formation of oligomeric cycles. Subsequent reaction of the residual azide‐moieties in the linear PIB's with excess of alkyne‐telechelic PEO enables the chromatographic removal of the resulting linear PEO‐PIB‐block copolymers by column chromatography. Thus pure cyclic PIB's can be obtained using this double‐“click”‐method, devoid of linear contaminants. © 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 48: 671–680, 2010
Polyethylene/graphite nanocomposites obtained by in situ polymerization
Authors: Fim Fabiana de C. , Guterres Jonathan M. , Basso Nara R. S. , Galland Griselda B. 
Published: December 2009

AbstractThe synthesis of polyethylene/graphite nanocomposites by in situ polymerization was achieved using the catalytic system Cp2ZrCl2 (bis(cyclopentadienyl)zirconium(IV) dichloride)/methylaluminoxane (MAO). Graphite with nano dimensions, previously treated with MAO, was added into the reactor as filler at percentages of 1, 2, and 5% (w/w). XRD analysis showed that the chemical and thermal treatments employed preserve the structure of the graphite sheets. The formation of graphite nanosheets and nanocomposites was confirmed by TEM and AFM. TEM micrographics showed that the polyethylene grew between the graphene nanosheets, giving intercalated and exfoliated graphite nanocomposites. © 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 48: 692–698, 2010
A study on melt grafting of maleic anhydride onto low‐density polyethylene and its blend with polyamide 6
Authors: Chuai Chengzhi , Iqbal Mahmood , Tian Shixiong 
Published: December 2009

AbstractGraft copolymerization of low‐density polyethylene (LDPE) with a maleic anhydride (MAH) was performed using intermeshing corotating twin‐screw extruder in the presence of benzoyl peroxide (BPO). The LDPE/polyamide 6 (PA6) and LDPE‐g‐MAH/PA6 blends were prepared in a corotating twin‐screw extruder. The melt viscosity of the grafted LDPE was measured by a capillary rheometer. The grafted copolymer was characterized by Fourier transform infrared spectroscopy (FTIR) and scanning electron microcopy (SEM). The influence of the variation in temperature, BPO and MAH concentration, and temperature on the grafting degree and on the melt viscosity was studied. The grafting degree increased appreciably up to about 0.45 phr and then decreased continuously with an increasing BPO concentration. According to the FTIR analysis, it was found that the amount of grafted MAH on the LDPE chains was ∼5.1%. Thermal analysis showed that melting temperature of the graft copolymers decreases with increasing grafting degree. In addition to this, loss modulus (E″) of the copolymers first increased little with increasing grafting and then obviously decreased with increasing grafting degree. Furthermore, the results revealed that the tensile strength of the blends increased linearly with increasing PA6 content. The results of SEM and mechanical test showed that the blends have good interfacial adhesion and good stability of the phase structure, which is reflected in the mechanical properties. © 2009 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 48: 267–275, 2010
Preweaning manganese exposure causes hyperactivity, disinhibition, and spatial learning and memory deficits associated with altered dopamine receptor and transporter levels
Authors: Kern Cynthia H. , Stanwood Gregg D. , Smith Donald R. 
Published: December 2009

AbstractEpidemiological studies in children have reported associations between elevated dietary manganese (Mn) exposure and neurobehavioral and neurocognitive deficits. To better understand the relationship between early Mn exposure and neurobehavioral deficits, we treated neonate rats with oral Mn doses of 0, 25, or 50 mg Mn/kg/day over postnatal day (PND) 1–21, and evaluated behavioral performance using open arena (PND 23), elevated plus maze (PND 23), and 8‐arm radial maze (PND 33–46) paradigms. Brain dopamine D1 and D2‐like receptors, and dopamine transporter (DAT) densities were determined on PND 24, and blood and brain Mn levels were measured to coincide with behavioral testing (PND 24, PND 36). Preweaning Mn exposure caused hyperactivity and behavioral disinhibition in the open arena, but no altered behavior in the elevated plus maze. Manganese‐exposed males committed significantly more reference and marginally more working errors in the radial arm maze compared to controls. Fewer Mn exposed males achieved the radial maze learning criterion, and they required more session days to reach it compared to controls. Manganese‐exposed animals also exhibited a greater frequency of stereotypic response strategy in searching for the baited arms in the maze. These behavioral and learning deficits were associated with altered expression of the dopamine D1 and D2 receptors and the DAT in prefrontal cortex, nucleus accumbens, and dorsal striatum. These data corroborate epidemiological studies in children, and suggest that exposure to Mn during neurodevelopment significantly alters dopaminergic synaptic environments in brain nuclei that mediate control of executive function behaviors, such as reactivity and cognitive flexibility. Synapse 64:363–378, 2010. © 2009 Wiley‐Liss, Inc.
A User-Friendly Method to Isolate and Single Spore the Fungi Magnaporthe oryzae and Magnaporthe grisea Obtained from Diseased Field Samples
Authors: Jia Yulin 
Published: December 2009

Although M. oryzae has been studied under extensively for several decades worldwide, descriptions of methods for efficient single spore isolation from diseased leaves from the field are not available. The ability to isolate the fungus from field samples is essential for specialists around the globe to study M. oryzae. The objective of this study was to develop a user-friendly method to isolate and evaluate M. oryzae from field samples. Accepted for publication 30 September 2009. Published 15 December 2009.
Phylogeography and marine retention
Authors: Small Scott T. , Wares John P. 
Published: December 2009

AbstractA number of studies now point to the association of patterns of phylogeography with discontinuities in coastal current patterns. If such phylogeographic patterns are indicative of populations that retain local diversity, as has been predicted by recent modelling, such results may be of use in marine reserve planning. Here we show that there is a distributional correlation on the Pacific coast of North America between marine reserve placement and phylogeographic patterns. A number of factors could contribute to this correlation, but its existence suggests the utility of genetic studies in marine conservation planning.
GSEVM v.2: MCMC software to analyze genetically structured environmental variance models
Authors: Ibáñez‐Escriche N. , Garcia M. , Sorensen D. 
Published: December 2009

SummaryThis note provides a description of software that allows to fit Bayesian genetically structured variance models using Markov chain Monte Carlo (MCMC). The gsevm v.2 program was written in Fortran 90. The DOS and Unix executable programs, the user’s guide, and some example files are freely available for research purposes at http://www.bdporc.irta.es/estudis.jsp. The main feature of the program is to compute Monte Carlo estimates of marginal posterior distributions of parameters of interest. The program is quite flexible, allowing the user to fit a variety of linear models at the level of the mean and the logvariance.
The Lost Community? Public Housing and Social Capital in Santiago de Chile, 1985–2001
Authors: TIRONI MANUEL 
Published: December 2009

AbstractChile has achieved a dramatic reduction in material poverty since 1990, in part through a massive programme of state‐subsidized housing that has almost eliminated slums, especially in Santiago. Sceptics assert that the improvement in material conditions has been accompanied by a decline in the cohesion and quality of ‘community’ in poor neighbourhoods. This article challenges this assertion, using data from a 1985 survey conducted in poblaciones (i.e. public housing dating from the 1960s) and a 2001 survey conducted in newly built public housing or villas. In contrast to popular wisdom, these surveys suggest that villas score higher than poblaciones in most indicators of social capital analyzed. Finally, this article contends that in order to comprehend the relation between poverty, space and community, more networked and decentred analytical approaches are needed.Résumé Le Chili est parvenu à une diminution drastique de la pauvreté matérielle depuis 1990, en partie grâce à un énorme programme de logements financés par l'État qui a quasiment éliminé les taudis, notamment à Santiago. Les sceptiques affirment que l'amélioration des conditions matérielles s'est accompagnée d'un recul de la cohésion et de la qualité de la «communauté» dans les quartiers pauvres. L'article conteste cette opinion en s'appuyant sur une enquête menée en 1985 dans les poblaciones (logements sociaux datant des années 1960) et sur une étude de 2001 réalisée dans les logements sociaux ou villas bâtis récemment. Allant à l'encontre de l'avis général, ces enquêtes suggèrent que les villas dépassent les poblaciones sur la plupart des indicateurs de capital social analysés. Pour finir, l'article avance que, pour comprendre la relation entre pauvreté, espace et communauté, il faut des approches analytiques plus interconnectées et décentrées.