bluuebunny/crossref_metadata_2025_split huggingface dataset:
Coordination of Li+, Ca+, V+, and Cu+ to the Molecules S8 and S4 –A Computational Study
Authors: Steudel Yana , Wong Ming Wah , Steudel Ralf 
Published: June 2005

AbstractThe complex formation between the Li+ cation and the sulfur homocycle S8 has been studied by ab initio MO calculations at the G3X(MP2) level of theory. Starting with various isomers of S8, the formation of LiS8 heterocycles and clusters is preferred over complexes with a monodentate ligand. The binding energies of the cation in the 23 complexes investigated range from –95 to –217 kJ·mol–1. The global minimum structure of [LiS8]+ is of C4v symmetry with the S8 homocycle in the well‐known crown conformation and four Li–S bonds of length 254.2 pm (binding energy: –156.5 kJ·mol–1). The S–S bonds of the various ligands are slightly weakened by the complex formation and a more or less strong bond length alternation is induced. Relatively unstable isomers of S8 (chair, tub, exo–endo ring, branched rings, triplet chain) are partly stabilized and partly destabilized by complex formation with Li+. The interaction between the cation and the S8 ligands is mainly due to ion–dipole attraction with little to moderate charge transfer (0.04–0.27 electrostatic units). In the four most stable isomers of [LiS8]+, the number of sulfur–sulfur bonds is at a maximum and the coordination number of Li+ is either 4 or 3. Complexes of the type [Li(S4)2]+ are much less stable than isomers with an eight‐atomic ligand. The Li–S bond lengths in all of these complex cations (230–273 pm) depend on the coordination number of Li and on the atomic charge of the donating sulfur atom(s). In contrast to [LiS8]+, the complexes of composition [MS8]+ with M = Ca, V, and Cu are more stable as [M(S4)2]+ than with an eight‐atomic crown‐shaped ligand. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Induction of Columnar Mesomorphism in Tetracoordinated Ionic Silver(I) Complexes Based on Chelate 4,4'‐Disubstituted 2,2'‐Bipyridines
Authors: Pucci Daniela , Barberio Giovanna , Bellusci Anna , Crispini Alessandra , La Deda Massimo , Ghedini Mauro , Szerb Elisabeta Ildyko 
Published: June 2005

AbstractThe reaction of silver triflate (AgOTf) and silver dodecyl sulfate (AgDOS) with two nonmesomorphic 4,4'‐disubstituted 2,2'‐bipyridines, Ln, yielded a series of bis‐chelate ionic silver complexes [Ag(Ln)2]X. Complexation induced columnar mesomorphism in all the silver(I) tetra‐branched bipyridine derivatives and the role of the counterion proved to be crucial in the generation of different symmetries of the mesophase. Remarkably, all silver(I) complexes exhibit emission at room temperature both in solution and in the solid state. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Thermodynamic Study of the Binding of Methyltrioxorhenium with Pyridine and Its Derivatives in Benzene Solution
Authors: Nabavizadeh S. Masoud , Akbari Alireza , Rashidi Mehdi 
Published: June 2005

AbstractA spectrophotometric study of the interaction of methyltrioxorhenium (MTO) with pyridine and its derivatives in benzene solution has been carried out at various temperatures. The stability constants of the resulting 1:1 complexes were determined by analysis of spectrophotometric data and found to vary in the order 3,4‐Me2Py > 4‐tBuPy > 4‐MePy > 3‐MePy > 4‐BenzylPy > Py > 3‐PhPy > 3‐C(O)OMePy > 3‐ClPy. The enthalpy and entropy of adduct formation were determined from the temperature dependence of the stability constants. All complexes formed were enthalpy stabilized but entropy destabilized. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Formation, Structure, and Reactivity of Gaseous Ni2O2+
Authors: Koszinowski Konrad , Schlangen Maria , Schröder Detlef , Schwarz Helmut 
Published: June 2005

AbstractThe dinuclear metal dioxide Ni2O2+ is prepared by the reaction of gaseous Ni2+ with N2O in a Fourier‐transform ion‐cyclotron‐resonance (FT‐ICR) mass spectrometer. The title compound oxidizes CO, thus proving the catalytic activity of Ni2+ for mediating oxygen‐atom transfer from N2O to CO. Whereas Ni2O2+ does not react with H2 and CH4, it accomplishes C–H bond activation of ethane, propane, and n‐butane. In comparison to the previously studied metal‐oxide clusters Mn2O2+ and Fe2O2+, Ni2O2+ exhibits an enhanced reactivity, which is ascribed to a lower oxygen‐binding energy. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Dinuclear Complexes of MII Thiocyanate (M = Ni and Cu) Containing a Tridentate Schiff‐Base Ligand: Synthesis, Structural Diversity and Magnetic Properties
Authors: Banerjee Suparna , Drew Michael G. B. , Lu Can‐Zhong , Tercero Javier , Diaz Carmen , Ghosh Ashutosh 
Published: June 2005

AbstractA dinuclear NiII complex, [Ni2(L)2(H2O)(NCS)2]·3H2O (1) in which the metal atoms are bridged by one water molecule and two μ2‐phenolate ions, and a thiocyanato‐bridged dimeric CuII complex, [Cu(L)NCS]2 (2) [L = tridentate Schiff‐base ligand, N‐(3‐aminopropyl)salicylaldimine, derived from 1:1 condensation of salicylaldehyde and 1,3‐diaminopropane], have been synthesized and characterized by IR and UV/Vis spectroscopy, cyclic voltammetry and single‐crystal X‐ray diffraction studies. The structure of 1 consists of dinuclear units with crystallographic C2 symmetry in which each NiII atom is in a distorted octahedral environment. The Ni–O distance and the Ni–O–Ni angle, through the bridged water molecule, are 2.240(11) Å and 82.5(5)°, respectively. The structure of 2 consists of dinuclear units bridged asymmetrically by di‐μ1,3‐NCS ions; each CuII ion is in a square‐pyramidal environment with τ = 0.25. Variable‐temperature magnetic susceptibility studies indicate the presence of dominant ferromagnetic exchange coupling in complex 1 with J = 3.1 cm–1, whereas complex 2 exhibits weak antiferromagnetic coupling between the CuII centers with J = –1.7 cm–1. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
New Cadmium(II) and Iron(II) Coordination Frameworks Incorporating a Di(4‐pyridyl)isoindoline Ligand
Authors: Mulyana Yanyan , Kepert Cameron J. , Lindoy Leonard F. , McMurtrie John C. 
Published: June 2005

AbstractThe metal‐directed assembly of molecular frameworks incorporating the ditopic heterocyclic ligand 1‐(4‐pyridyl)imino‐2‐(4‐pyridyl)isoindoline (L) associated with nonlinear coordination vectors, is presented. Two infinite metallo‐arrays of empirical formula [CdL(NO3)2(EtOH)]n·(1.4 H2O)n and [FeL2(NCS)2]n·{(2 CHClCCl2)·(1.4 MeOH)·(2.9 H2O)}n have been characterised. The X‐ray structures of both arrays are reported. The cadmium(II) framework consists of co‐aligned 1D coordinate polymer chains while the iron(II) framework consists of rhombic grids with 2D polymeric connectivity. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Salophan Complexes of Group IV Metals
Authors: Groysman Stanislav , Sergeeva Ekaterina , Goldberg Israel , Kol Moshe 
Published: June 2005

AbstractThe coordination chemistry of tetradentate Salophan ligands with titanium and zirconium alkoxides is described for the first time. Three new Salophan ligand precursors featuring different phenolate substituents (ortho‐Me, ortho,para‐di‐Cl, ortho,para‐di‐tBu) were synthesized in addition to the known prototypical Salophan precursor, by a sequence of condensation and reduction. All ligand precursors were reacted with the metal alkoxides Ti(OiPr)4 and Zr(OtBu)4. The unsubstituted Salophan led to a complex product mixture for both titanium and zirconium. The methyl‐substituted ligand led to a clean complex only with zirconium, and the other ligands gave well‐defined coordination chemistry with both metals. NMR analysis indicated that these Salophans acted as dianionic ligands, giving rise to hexa‐coordinate complexes of C2‐symmetry. X‐ray analysis of three complexes supported this view, and revealed that the ligands wrapping mode was fac‐fac and that the orientation of the labile groups was cis. A partial hydrolysis of one of the titanium complexes led to a dinuclear bridging oxo complex in which the ligand wrapping mode had changed to fac‐mer, as revealed from its crystal structure. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Genomics at the origins of agriculture, part two
Authors: Armelagos George J. , Harper Kristin N. 
Published: June 2005

AbstractAgricultural expansion was such a momentous event that cultural or genetic evidence of its impact should be apparent. Abundant evidence indicates that agriculture was introduced into Europe at least 9,000 years ago. The primary issue remains whether agriculture spread by contact or by farmers moving into Europe. If agriculture was brought by farmers moving into foragers' territory, then genetic evidence should be apparent in the genes of modern Europeans. If foragers weredisplaced, then European genetic profiles should reflect the source population from the Near East. If there was interbreeding with the foragers who had a distinct genetic profile, then the genes of the Europeans descendants should reflect this admixture, with a clinal distribution of traits radiating from the Near East. These scenarios have been the focus of decades of debates between anthropologists and geneticists. In addition, genomic studies have been applied to pathogens in order to explore the link between agriculture and infectious disease.
Wiki: A speedy new tool to manage projects
Authors: Bean LuAnn , Hott David D. 
Published: June 2005

AbstractThe word “wiki‐wiki” means “quick” in Hawaiian. And “wikis”—real‐time, editable Web sites—are the latest tools for managing projects in our fast‐paced world. The authors explain how wikis work and the pros and cons of using them. Will they change the way we handle information? © 2005 Wiley Periodicals, Inc.
IT planning in the real World
Authors: Benson Robert , Bugnitz Tom , Walton William 
Published: June 2005

AbstractInformation technology (IT) plans are great —until you have to grapple with next year's budget.Then all your careful planning gets tossed out the window. How can you develop an IT investment strategy that reflects real‐world budgets? © 2005 Wiley Periodicals, Inc.
A branched pore kinetic model applied to the sorption of metal ions on bone char
Authors: Ko Danny CK , Cheung Chun Wai , Porter John F 
Published: June 2005

AbstractA slightly modified form of the branched pore model of Peel, Benedek and Crowe was successfully applied to describe the batch sorption kinetics of three metal ions—cadmium, copper and zinc—on bone char. In comparison with an analytical film‐surface solution, the additional parameters of the branched pore model were observed to produce a significant improvement in correlating the experimental results. The ranges of the values of the model parameters derived were deemed reasonable and the branched pore sorption capacities of two of the three metal ions were comparable (ca 0.16 mmol g−1). Given that the surface diffusivities of the metal ions were observed to vary with averaged surface loading, a number of correlations were examined for their accuracy in describing this behaviour. The exponential expression of Neretnieks resulted in the smallest total error when the data for all three metal ions were considered together. Copyright © 2005 Society of Chemical Industry
Effect of surfactants on the soil desorption of hexachlorocyclohexane (HCH) isomers and their anaerobic biodegradation
Authors: Quintero Juan Carlos , Moreira Maria Teresa , Feijoo Gumersindo , Lema Juan M 
Published: June 2005

AbstractThe extensive utilization of hydrophobic organic compounds (HOCs) such as pesticides generates high environmental pollution levels. Due to their hydrophobicity, this type of compound tends to accumulate in soil organic matter and, thus, soil desorption limits their availability for microbial degradation. The use of surfactants may increase the pollutant's desorption from the soil. One of the pesticides with strong sorption characteristics is hexachlorocyclohexane (HCH), a mixture of isomers: α‐, β‐, γ‐ and δ‐HCH. In this work, we evaluated the use of three surfactants, Triton X100, Tween 80 and sodium dodecyl sulfate (SDS), on the HCH desorption from a sandy loam soil. The effects of the addition of these surfactants on anaerobic biodegradation were studied. To attain this purpose, different assays were performed to evaluate both effects. Triton X100 exerted the best desorption of HCH isomers, followed by Tween 80, whereas SDS caused no significant desorption of the isomers. Triton had a strong inhibitory effect on the HCH biodegradation, while Tween 80 did not decrease the degradation rates of the different isomers. Moreover, the degradation rates of β‐ and δ‐HCH were significantly enhanced (around 10%). On the other hand, detrimental effects on the biodegradation rates and yields were due to the ageing of the soil, depending on the period of exposure of the soil to the pollutant. Copyright © 2005 Society of Chemical Industry
Microglial cell activation and proliferation precedes the onset of CNS autoimmunity
Authors: Ponomarev Eugene D. , Shriver Leah P. , Maresz Katarzyna , Dittel Bonnie N. 
Published: June 2005

AbstractMicroglial cells are central nervous system (CNS) resident cells that are thought to become activated and contribute to the inflammation that occurs in the human autoimmune disease multiple sclerosis (MS). This has never been proven, however, because microglial cells cannot be phenotypically distinguished from peripheral macrophages that accumulate in MS inflammatory lesions. To study the kinetics and nature of microglial cell activation in the CNS, we used the animal model of MS, experimental autoimmune encephalomyelitis (EAE), and induced EAE in bone marrow (BM) chimera mice generated using major histocompatibility complex (MHC)‐mismatched donor BM, allowing the separation of microglial cells and peripheral monocytes/macrophages. We found that microglial cell activation was evident before onset of disease symptoms and infiltration of peripheral myeloid cells into the CNS. Activated microglial cells underwent proliferation and upregulated the expression of CD45, MHC class II, CD40, CD86, and the dendritic cell marker CD11c. At the peak of EAE disease, activated microglial cells comprised 37% of the total macrophage and dendritic cell populations and colocalized with infiltrating leukocytes in inflammatory lesions. Our findings thus definitively demonstrate that during EAE, microglial cells become activated early in EAE disease and then differentiate into both macrophages and dendritic‐like cells, suggesting they play an active role in the pathogenesis of EAE and MS. © 2005 Wiley‐Liss, Inc.
Synthesis of colloidal superparamagnetic nanocomposites by grafting poly(ϵ‐caprolactone) from the surface of organosilane‐modified maghemite nanoparticles
Authors: Flesch C. , Bourgeat‐Lami E. , Mornet S. , Duguet E. , Delaite C. , Dumas P. 
Published: June 2005

AbstractSuperparamagnetic and biodegradable/biocompatible core–corona nanocomposite particles were prepared by ring‐opening polymerization of ϵ‐caprolactone initiated from the surface of maghemite. As was done in a previous work, an aminosilane coupling agent was chosen as the coinitiator and immobilized at the surface of the maghemite particles to allow the growth of the poly(ϵ‐caprolactone) (PCL) chains from the solid surface. Two different catalytic systems based on aluminum and tin alkoxides were investigated. Whatever the catalyst used, diffuse reflectance Fourier transform spectroscopy brought evidence for polymer anchoring through a covalent bond, whereas thermogravimetric analysis attested to the presence of high amounts of PCL around the maghemite. Magnetization measurements proved that the nanocomposites kept their superparamagnetic properties after coating. The polymer contents obtained by this grafting‐from route were compared with the results obtained by a more classical grafting‐to process. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 43: 3221–3231, 2005
Elongation method at restricted open‐shell Hartree–Fock level of theory
Authors: Korchowiec Jacek , Gu Feng Long , Aoki Yuriko 
Published: June 2005

AbstractElongation and cutoff elongation methods are described at the restricted open‐shell Hartree–Fock (ROHF) level of theory. Test calculations are performed for polyethylene radicals CH3‐(CH2)N−1 (N = 8, 10, 12, … 40), using minimal (STO‐3G) and valence double‐ζ (6‐31G) basis sets. It is demonstrated that the process of diminishing the variational space in the elongation method does not introduce a large error, and that the error can be controlled by the size of the starting radical. Implementation of the cutoff technique to the elongation method leads to distinct time savings in the self‐consistent field (SCF) process and does not worsen the results. In contrast to full variational space ROHF treatment, the step SCF CPU time in the cutoff elongation calculations appears to saturate to an asymptotic value that permits investigation of large molecular systems. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Mechanisms to Prevent Infection: Invasive Monitoring
Authors: Burton Aileen 
Published: June 2005

Intravenous therapy is an essential part of clinical care used in a wide variety of healthcare settings. Thus, intravenous catheters have become indispensable to clinical practice. However, catheter related infections are a major source of morbidity and mortality with rates as high as 10% to 20%. Current guidance recommends a number of strategies to reduce the incidence of catheter-related infections. These include skin preparation, avoiding glove contamination when handling and inserting catheters and the choice of material used.Strategies to prevent infection need to change and develop to reflect the advances in technology and delivery of healthcare.
Going Dutch: Anaesthetising in the Netherlands and Other Issues
Authors: Cowan D. T. 
Published: June 2005

This paper discusses the role, responsibilities and practices of anaesthetic practitioners in the Netherlands in relation to their counterparts in the United Kingdom (UK), these practitioners representing an important yet overlooked section of the health care workforce. This takes place in the context of the UK National Health Service (NHS) modernisation agenda and the European Commission's (EC) aim to enhance the mobility of health care staff throughout the European Union (EU) through standardisation of variations in qualifications, skill levels, methods and working practices (Bologna, 1999; Lisbon Strategy, 2000; EHTAN, 2005).It is clear that significant disparities remain between anaesthetic practitioners in both countries and that we need to explore ways of arriving at compatibility between the different grades. However, this does not currently appear to be happening at EU level. Despite the huge responsibilities on these practitioners, this sector of the EU health care workforce remains largely invisible and there appears to be no concerted attempt at EU level to develop appropriate competencies for them. Further research is required into this area, including: evaluative studies of policies for service redesign and new roles, professional regulation and the impact on outcomes for health service users.
The Distribution of Rattus villosissimus (Waite) during Plague and Non-plague Years
Authors: Carstairs JL 
Published: June 2005

In September 1968 a questionnaire was sent to 1000 properties in Central Australia in an attempt to determine:

(1) the distribution of R. villosissimus; (2) the dates and extent of past plagues	of this species;

(3) the direction and extent of mass movements of rats;

(4) local factors which might account for the outbreak of plagues.

In all, 289 replies were received. They confirmed the dates of past plagues and revealed a hitherto unrecorded plague in 1948. They showed that some plagues lasted for several years and that some were more widespread than others, and they suggested that there are 'refuge' areas on the Barkly Tableland of the Northern Territory, near Richmond and Julia Creek in Queensland and in the Lake Eyre Basin, where rats survive between plagues and build up into plague numbers during favourable conditions.

The relationship between rainfall and the outbreak of rat plagues, and the role of predators
during a plague, are discussed. It is suggested that the plaguing behaviour and mass movements of R. t;illosissimus ensure the survival of the species in a potentially lethal environment where the extinction of local populations is probably not uncommon.
Resisting realist petrification in George Sand's
Lélia
and Balzac's
Sarrasine
Authors: Harkness Nigel 
Published: June 2005

Abstract

This article considers how George Sand's
Lélia
, which first appeared in 1833 and was extensively rewritten before being republished in 1839, might be read as constituting Sand's critical manifesto on realism. My argument investigates the links between
Lélia
and Balzac's
Sarrasine
(1831), which Barthes reads in S/Z as a paradigmatic realist text. This comparison brings out a network of images and structures common to the two novels: petrification, the enigma of sexual identity, the gaze of the male artist, the codes of sculpture and painting, and binary oppositions such as life/death, real/artificial, and plenitude/emptiness. But if, in Balzac's text, this network functions to underpin realist representation, Sand undermines these structures, and the 1839
Lélia
becomes a veritable literary battlefield which opposes the petrifying male gaze and the heroine's resistance to the fixity and corporeal imprisonment that this entails.
Lélia
can thus be interpreted as constituting a self-conscious dismantling and refusal of the gendered structures of the realist text. Moreover, this analysis rewrites Barthes's interpretation of the conclusion of
Sarrasine
, reading it as the playing out not of a ‘contamination of castration’, but of a ‘contamination of petrification’ whose repercussions can be traced to Balzac's later novel
Béatrix.
Where poetry points: deixis and poetry's ‘you’ in Éluard and Desnos
Authors: Hochman Hugh 
Published: June 2005

Abstract

The struggle in poetics between the textual hermeticism of semiotic readings, on the one hand, and materialist theories of reference, on the other, has been a thorny issue for theorists of the lyric for some time. Taking up the question of whether or not poetic texts open on to a world of referents, this article considers deictics (words for showing or indicating) in poems by Paul Éluard and Robert Desnos, recalling Émile Benveniste's inclusion of the personal pronouns
I
and
you
, along with demonstratives, under the rubric of
indicateurs.
Specifically, the article examines the function of words such as
this, that
and
you
and looks into the possibility that poems are always addressed to their reader and therefore mean
you
in the strongest sense possible. Poems do not refer to the world mentioned on the level of their themes or fiction but rather perpetually refer to relationships they sustain with the reader. In this sense, the reader's understanding or interpretation is an extension of a poem's addressivity, a kind of intimacy whereby the reader manages to meet the requirements of love and desire according to a uniquely discursive reality. It is precisely in understanding how a poem's semiotic operations carry within them their own justification that the reader fleshes out the addressee or the
you
of the text.