bluuebunny/crossref_metadata_2025_split huggingface dataset:
The role of metals in amyloid aggregation—Experiments and ab initio simulations
Authors: Minicozzi V. , Morante S. , Rossi G. C. , Stellato F. , Christian N. , Jansen K. 
Published: May 2008

AbstractWith a combination of modern spectroscopic techniques and numerical first principle simulations it is possible to investigate the physico‐chemical basis of the β‐amyloid aggregation phenomenon, which is suspected to be at the basis of the development of the Alzheimer disease. On the experimental side, in fact, X‐ray absorption spectroscopy can be successfully used to determine the atomic structure around the metal binding site in samples where β‐amyloid peptides are complexed with either Cu2+ or Zn2+ ions. Exploiting spectroscopic information obtained on a selected set of fragments of the natural Aβ‐peptide, the residues that along the sequence are coordinated to the metal are identified. Although copper data can be consistently interpreted assuming that oligopeptides encompassing the minimal 1–16 amino acidic sequence display a metal coordination mode which involves three Histidines (His6, His13, and His14), in complexes with zinc a four Histidines coordination mode is seen to be preferred. Lacking a fourth Histidine in the Aβ1–16 fragment, this geometrical arrangement hints to a Zn2+ promoted inter‐peptide aggregation mode. On the theoretical side, first principle ab initio molecular dynamics simulations of the Car–Parrinello type, which have proved to be of invaluable help in understanding the microscopic mechanisms of chemical bonding both in solid‐state physics and structural biophysics, have been employed in an effort to give a microscopic basis and find a phenomenological interpretation of the body of available experimental data on Aβ‐peptides–metal complexes. Using medium size PC‐clusters as well as larger parallel platforms, it is possible to deal with systems comprising 300–500 atoms and 1,000–2,000 electrons for simulation times as long as 2–3 ps. We present structural results that nicely compare with NMR and XAS data. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2008
Intermountain basins use in subtropical regions and their influences on benthic fauna
Authors: Fernandez H. R. , Romero F. , Domínguez E. 
Published: May 2008

AbstractConversion of high mountain forests into pastures or croplands and changes in land uses have produced changes in hydrology, vegetation cover and terrestrial aquatic linkages, resulting in increased nutrient loads on water bodies. The developing countries today need to obtain an indicator response signature under multiple stressor scenario, to identify causes of water bodies impairment. Intermountain land use impact on a Subtropical Andean River was studied in Tucumán province, Northwestern Argentina. Benthic macroinvertebrates were used as indicators of diffuse alterations produced by anthropic activities on a small valley at ca. 1000 m.a.s.l. The objectives were: (a) test the effect of land use on macroinvertebrate assemblages; (b) test the response of benthic fauna to diffuse organic pollution and (c) test the accuracy of the current biological water quality indices. Nutrient levels were higher than international standards. First axis in multivariate analysis shows an important upstream–downstream gradient meanwhile the second axis shows seasonal effects. These effects are specially produced by monsoonal regime of rainfall (ca. 80% in summer). No effect of the land use or diffuse pollution was detected on the macroinvertebrate assemblage structure, probably due to the good oxygen availability. Of the several biotic indices (BI) and metrics tested, only one worked on acceptable levels being ‘affected’ by small oxygen variations. Dry winter, dry and warm spring with high sunlight exposure plus high levels of nutrients could be an undesirable combination for standing waters of a reservoir projected in this watershed. A correct monitoring of water quality and alternatives as management of reforested margins is the right beginning. These actions and more studies represent interesting alternatives for poor regions of undeveloped countries. Copyright © 2008 John Wiley & Sons, Ltd.
Reproductive and developmental toxicity screening study of 2,4‐dinitrophenol in rats
Authors: Takahashi Mika , Sunaga Masao , Hirata‐Koizumi Mutsuko , Hirose Akihiko , Kamata Eiichi , Ema Makoto 
Published: May 2008

AbstractRats were treated by gavage once daily with 2,4‐dinitrophenol (DNP) at 0 (control), 3, 10, or 30 mg/kg bw. Males were dosed for 46 days, beginning 14 days before mating, and females were dosed for 40–47 days, from 14 days before mating to day 3 of lactation. No deaths were observed in males and females of any group. A significant decrease in body weight gain and significant increase in liver weight were found in males and females at 30 mg/kg bw/day. The number of live pups on postnatal days (PNDs) 0 and 4, live birth index, and body weight of live male and female pups on PNDs 0 and 1 were significantly lowered at 30 mg/kg bw/day. External and internal examinations of pups revealed no increased incidence of malformations in DNP‐treated groups. On the basis of these findings, we concluded that DNP has general and reproductive/developmental toxicity, but not teratogenicity, under the present conditions. The NOAEL of DNP is considered to be 10 mg/kg bw/day in rats. © 2008 Wiley Periodicals, Inc. Environ Toxicol, 2009.
Synthesis and Structures of Dimanganese(II) Complexes with Spirotricyclic [Mn(μ‐Ge2Se7)Mn] and [Mn(μ‐Sn2Se6)Mn] Cores
Authors: Kromm Anna , Sheldrick William S. 
Published: May 2008

AbstractSolvothermal reaction of [MnCl2(cyclam)]Cl with GeSe2 at a 1:1 molar ratio in CH3OH/H2O (1/1) at 150 °C affords the dimanganese(II) complex [{Mn(cyclam)}2(μ‐Ge2Se7)]·CH3OH·1.5H2O (1) with a spirotricyclic [Mn(μ‐Ge2Se7)Mn] core. The strained four‐membered Mn‐Set‐Ge‐Set′ rings (Set = terminal Se atom) exhibit long Mn‐Set distances in the range 2.725(2)–2.745(2) Å and narrow average Set‐Mn‐Set′ angles of 85.87(4)°. The solvothermal reaction of [MnCl2(cyclam)]Cl with SnSe and Se leads to formation of the analogous complex [{Mn(cyclam)}2(μ‐Sn2Se6.15)] (2), in which bridging [Sn2Se6]4− and [Sn2Se7]4− ligands are disordered at a ratio of 85:15. Employment of [MnCl2(terpy)] under similar conditions generates two complexes of the formula [{Mn(terpy)}2(μ‐Sn2Se6)] 3 and 4, of which the former also contains a spirotricyclic core, whereas the Set atoms of the latter coordinate symmetry‐related MnII atoms in a 1‐D polymer. The Mn‐Set bond distances of 2.584(1) and 2.549(1) Å in the resulting chair‐shaped eight‐membered rings of 4 are much shorter than in 1 and 2.
Die Molekül‐ und Kristallstrukturen von (η5‐Cyclopentadienyl)bis‐(triphenylphosphan)cobalt(I)–(Hexan/Toluol) (2/1), (η5‐Cyclopentadienyl)‐{1,1′‐[(1,2‐η)‐ethin‐1,2‐diyl]bis(benzol)}(triphenylphosphan)cobalt(I) und (η5‐Cyclopentadienyl)(1,2,3,4‐tetraphenyl‐buta‐1,3‐dien‐1,4‐diyl)(triphenyl‐phosphan)cobalt(I)
Authors: Hoffmann Florian , Wagler Jörg , Roewer Gerhard 
Published: May 2008

AbstractThe Molecular and Crystal Structures of (η5‐Cyclopentadienyl)bis‐(triphenylphosphane)cobalt(I)–(hexane/toluene) (2/1), (η5‐Cyclopentadienyl)‐{1,1′‐[(1,2‐η)‐ethyne‐1,2‐diyl]bis(benzene)}(triphenylphosphane)cobalt(I), and (η5‐Cyclopentadienyl)(1,2,3,4‐tetraphenyl‐buta‐1,3‐diene‐1,4‐diyl)(triphenyl‐phosphane)cobalt(I)The molecular and crystal structures of (η5‐cyclopentadienyl)bis(triphenylphosphane)cobalt(I)–(hexane/toluene) (2/1) CpCo(PPh3)2·0.5 (C6H14/C7H8), (η5‐cyclopentadienyl){1,1′‐[(1,2‐η)‐ethyne‐1,2‐diyl]bis(benzene)}(triphenylphosphane)cobalt(I) CpCo(PPh3)(PhC≡CPh), and (η5‐cyclopentadienyl)(1,2,3,4‐tetraphenyl‐buta‐1,3‐diene‐1,4‐diyl)(triphenylphosphane)cobalt(I) CpCo(PPh3)C4Ph4 were determined. Their NMR, IR, and UV‐VIS data and a modified preparation of CpCo(PPh3)2·0.5 (C6H14/C7H8) are also presented.
Crystallochemical Studies in the Family of Crystals Ba7−xNayF12Cl2−zBrz (x < 0.1, y < 0.2, z < 1.5)
Authors: Hagemann H. , Penhouet T. , Rief A. , Kubel F. 
Published: May 2008

AbstractA series of mixed crystals with general formula Ba7−xNayF12Cl2−zBrz in the ordered modification (space group P‐6) has been studied by single crystal x‐ray diffraction. Depending on synthesis conditions, the disorder in the channels (i.e. occupation of 0 0 z sites) can be changed. The disorder is found to be correlated with the refined Na content, and its effect on Ba‐Cl(Br) bond length is discussed.
Crystal Structure of Ce3Ni2(BN)2N and Magnetic Behavior of (CeNi(BN))2(CeN)x with x = 0, 1
Authors: Glaser Jochen , Mori Takao , Meyer H.‐Jürgen 
Published: May 2008

AbstractThe new compound Ce3Ni2(BN)2N was synthesized by a modified solid state metathesis reaction. The crystal structure of Ce3Ni2(BN)2N was found to be isotypic with the superconducting compound La3Ni2(BN)2N, according to Rietveld refinements performed on X‐ray powder data (I4/mmm, Z = 2, a = 3.5817(1) Å, c = 20.283(1) Å).Corresponding solid state reactions of mixtures composed of CeN/NiB and CeNi/BN yielded CeNi(BN) and a mixture of the two closely related layered structures (CeNi(BN))2(CeN)x with x = 0 and 1.Magnetization experiments on these samples revealed temperature independent paramagnetic behavior for Ce3Ni2(BN)2N and CeNi(BN) without any magnetic ordering down to 5 K.
Bis[(μ‐iodo)iodo‐η‐cyclopentadienylruthenium(III)], ‘CpRuI2’ = [CpRuI2]2: a Further Example of a [CpXM(μ‐X)2MXCp] Parent with cis Arrangement
Authors: Bruce Michael I. , Jevric Martyn , Skelton Brian W. , White Allan H. 
Published: May 2008

AbstractThe very limited array of (structurally described) adducts of the form [CpMX2]2 ≡ [CpMX(μ‐X)2MXCp] with the unsubstituted/parent Cp (≡ C5H5, cyclopentadienyl) ligand is augmented by a study of [CpIRu(μ‐I)2RuICp], found to be isotypic with the recently described chloride and, with it, providing the only examples of such dimers in their ‘cis’ form, i.e., the terminal‐X and Cp pairs to the same side of the Ru2(μ‐X)2 arrays, which are appreciably folded at the X···X lines, with the short Ru···Ru distances (2.7748(6) (X = Cl), 2.9034(8) Å (X = I)), consistent with the presence of appreciable metal‐metal bonding (cf. the M = Cr, X = Cl counterpart which is trans, Cr···Cr 3.3447(8) Å).
Lanthanoidorganische und Hauptgruppenmetallorganische Verbindungen in einem ungewöhnlichen supramolekularen Verbund: {[Ln(2,4‐Me2C5H5)3]2·[NaAlEt4]4} (Ln = Nd, La)
Authors: Kunze Michael R. , Sieler Joachim , Taube Rudolf 
Published: May 2008

AbstractOrgano‐Lanthanide and Organo‐Main Group Metal Compounds in an Unusual Supramolecular Composition: {[Ln(2,4‐Me2C5H5)3]2·[NaAlEt4]4}(Ln = Nd, La)The pure organometallic supramolecular complexes {[Ln(2,4‐Me2C5H5)3]·[NaAlEt4]4} (Ln = Nd, 1; Ln = La, 2) were obtained by reaction of the known compounds Ln2(η5‐2,4‐Me2C5H5)4Br2 (Ln = Nd, La) with two equivalents of NaAlEt4 in toluene as well crystallized substances. The supramolecular structure of both complexes could be elucidated by X‐ray crystal structure analysis and is described in some details with special consideration of the intermolecular bonding interaction between the different organometallic components. The formation of the Ln(η5‐2,4‐Me2C5H5)3 component is explained by an anion exchange initiated by NaAlEt4.
BIAZA statistics guidelines: toward a common application of statistical tests for zoo research
Authors: Plowman Amy B. 
Published: May 2008

AbstractZoo research presents many statistical challenges, mostly arising from the need to work with small sample sizes. Efforts to overcome these often lead to the misuse of statistics including pseudoreplication, inappropriate pooling, assumption violation or excessive Type II errors because of using tests with low power to avoid assumption violation. To tackle these issues and make some general statistical recommendations for zoo researchers, the Research Group of the British and Irish Association of Zoos and Aquariums (BIAZA) conducted a workshop. Participants included zoo‐based researchers, university academics with zoo interests and three statistical experts. The result was a BIAZA publication Zoo Research Guidelines: Statistics for Typical Zoo Datasets (Plowman [2006] Zoo research guidelines: statistics for zoo datasets. London: BIAZA), which provides advice for zoo researchers on study design and analysis to ensure appropriate and rigorous use of statistics. The main recommendations are: (1) that many typical zoo investigations should be conducted as single case/small N randomized designs, analyzed with randomization tests, (2) that when comparing complete time budgets across conditions in behavioral studies, G tests and their derivatives are the most appropriate statistical tests and (3) that in studies involving multiple dependent and independent variables there are usually no satisfactory alternatives to traditional parametric tests and, despite some assumption violations, it is better to use these tests with careful interpretation, than to lose information through not testing at all. The BIAZA guidelines were recommended by American Association of Zoos and Aquariums (AZA) researchers at the AZA Annual Conference in Tampa, FL, September 2006, and are free to download from www.biaza.org.uk. Zoo Biol 27:226–233, 2008. © 2008 Wiley‐Liss, Inc.
The sulfonation of castor oil with sulfur trioxide
Authors: Kremers F. J. 
Published: May 2008

AbstractCastor oil can be sulfonated directly with SO3 in commercially available continuous and batch equipment. The product has good color, excellent water solubility and improved acid stability. The process has the following advantages. It is more direct and considerably faster than the present process. It requires fewer man hours and, therefore, is more economical. Conditions can be varied to give a wide range of products having different solubility characteristics and combined SO3 content. Since the reaction, batch or continuous, is stoichiometric, no waste products are formed, thus eliminating any pollution problems.
On a correlation between the surface chemistry and the felting behavior of wool
Authors: Stigter D. 
Published: May 2008

AbstractThe felting behavior of wool fibers is found to be correlated with their flocculation properties. The interaction between the fibers is suggested as the common factor responsible for this correlation. It is observed that in a felting medium there is attraction between natural wool fibers. Such attraction is observed to be greatly diminished, or absent, after the wool has been shrinkproffed by any one of several chemical modification treatments. Hydrophobic attraction and electrostatic repulsion are proposed as significant components of the interaction between fibers in aqueous media. These components are linked to the surface chemistry of natural and chemically modified wool. It is proposed that the hydrophobic nature of the fiber surface promotes the felting shrinkage of natural wool fabrics, that shrink‐resist chemical treatments of wool top make the fiber surface more hydrophilic and may increase the electrostatic repulsion between fibers, and that the influence of surfactants on felting depends on the adsorption energy of the surfactant at the fiber surface. These ideas are presented as a guide for the development of further shrink‐resist chemical modifications of wool.
Industrial chemical uses of polyunsaturated fatty acids
Authors: Pryde E. H. , Cowan J. C. 
Published: May 2008

AbstractProduction of vegetable, animal and marine oils containing more than about 40% unsaturated fatty acids totaled 15,000 million pounds in 1968, almost on the scale of petrochemical production. The greater share (64%) of this nonfossil oil production was directed toward food uses, the remainder toward industrial and animal feed uses. The variety of chemical reactions carried out on these unsaturated fatty acid products include hydrogenation, interesterification, dimerization, sulfation, formation of nitrogen compounds, epoxidation, alkaline cleavage and oxidative ozonolysis. Some of these reactions have been developed at Utilization Research and Development Divisions of the Agricultural Research Service, U.S. Department of Agriculture. Research is continuing in developing new reactions for potential industrial application. An example is reductive ozonolysis of unsaturated fatty esters to produce monofunctional aldehydes and bifunctional aldehyde esters.
Regeneration of spent earth by wet oxidation
Authors: Kalam Abul , Joshi J. B. 
Published: May 2008

AbstractRegeneration of deoiled spent earth by wet oxidation has been investigated. Molecular oxygen was used as an oxidizing agent. Effects of operating parameters such as speed of agitation, temperature, oxygen partial pressure, slurry concentration, and cycle of regeneration have been studied. Kinetics of regeneration was found to be first order with substrate concentration and also with dissolved oxygen concentration.Decolorization capacity of regenerated earth was the same as that of its virgin bleaching earth. Adsorption isotherm data was fitted in Freundlich equation. The values of Freundlich constants of regenerated earth were comparable with the values of virgin bleaching earth.
U.S. detergent/surfactant trends— 1980s1
Authors: Haupt D. E. 
Published: May 2008

AbstractThe U.S. surfactant market is large, mature, and likely to grow at a rate of 2‐3% over the next 10 years. The household, personal care and industrial markets will maintain roughly the same market shares of the total that they have held historically. Within the household market, there should be a continued trend toward the use of alcohol‐based surfactants at the expense of linear alkylbenzene sulfonates (LAS). Several factors point to greater usage of nonionics in the future: popularity of heavy‐duty liquids and detergents containing enzymes and fabric softeners, a trend to lower laundry wash temperatures and decreasing dependence on phosphate builders. In personal care end uses, alpha olefin sulfonates are expected to show growth due to cost performance advantages in liquid soaps and shampoos. The industrial surfactant market will remain highly segmented and will grow at ca. 3% annually, mainly as a result of overall industrial expansion. Ample capacity and anticipated feedstock availability at acceptable prices will allow producers of synthetic surfactants to satisfy demand through the rest of the decade. Research will lead to formulations aimed at cooler laundry washing conditions and increased enzyme usage. Enhanced oil recovery may involve new surfactants, but large‐scale consumption will not begin before the end of the decade.
DOING THE RIGHT THING AND DOING IT RIGHT: TOWARD A FRAMEWORK FOR ASSESSING THE POLICY RELEVANCE OF HEALTH SERVICES RESEARCH
Authors: Bensing Jozien M. , Caris-Verhallen Wilma M. C. M. , Dekker Joost , Delnoij Diana M. J. , Groenewegen Peter P. 
Published: May 2008

Objectives: Health services research is a typical instance of applied research, meaning that its research findings should contribute to a more evidence-based health policy. A basic assumption for the usefulness of policy research is that it is of good scientific quality, but evaluation of health services research would be incomplete without an assessment of its societal relevance. However, there is no generally accepted framework in which criteria to assess societal relevance are defined.Methods: In this study, we made an effort to specify criteria and indicators for policy relevance.Results and Conclusions: In general, we concluded that it is important to define from the start of a research project, what kind of answers are being sought to the questions at hand, who the intended users of these answers will be, and how they can be reached. Furthermore, a productive dialogue between researchers and policy makers is indispensable for remaining in tune with policy thinking. In addition, we specified domains and a list of potential criteria for assessing policy relevance. For the purpose of quality assurance, these criteria have to be integrated into a quality improvement cycle. This means that the societal output of health services research should be related to the aims and missions at the level of projects, programs, and institutes. Furthermore, it is important that consensus is reached about (the weighting of) relevant indicators and that routines are developed for collecting information on these indicators.
EMEA and the evaluation of health-related quality of life data in the drug regulatory process
Authors: Papanicolaou Sotiria , Sykes David , Mossialos Elias 
Published: May 2008

Objectives:This study reviewed the European guidelines of the Committee for Proprietary Medicinal Products (CPMP) on how health-related quality of life (HRQOL) research should be conducted in clinical trials. Published product-level information was also reviewed to investigate the actual role of HRQOL data in the European regulatory process.Methods:All disease-specific notes for guidance and concept papers on clinical investigations, development and evaluation of human medicinal products, as well as the European Public Assessment Reports (EPAR) of all approved drugs published on the European Agency for the Evaluation of Medicinal Products (EMEA) Web site were evaluated for their HRQOL recommendations.Results:Only twenty of the fifty CPMP guidance notes for clinical investigation of pharmaceutical products in specific disease areas included a reference to HRQOL. Most of the recommendations were generic and vague, and the terminology used was inconsistent across documents. The EPAR provided nonspecific information about HRQOL and contradictory conclusions on the effect of a drug on HRQOL sometimes occurred in different documents. The criteria used by the CPMP to assess the HRQOL data could not be identified due to an ad hoc approach to the inclusion of data in the EPAR.Conclusions:A more systematic approach is needed on the way health outcomes data are considered, reviewed, and interpreted by the regulatory authorities. For this to be achieved, CPMP should develop general guidelines on the importance of HRQOL and how research should be conducted if data are to be included in the registration process.
Quitline in smoking cessation: A cost-effectiveness analysis
Authors: Tomson Tanja , Helgason Ásgeir R. , Gilljam Hans 
Published: May 2008

Objectives: The cost-effectiveness of the Swedish quitline, a nation-wide, free of charge service, is assessed.Methods: The study was based on data of a sample of 1,131 callers enrolled from February 1, 2000 to November 30, 2001. Outcome was measured as cost per quitter and cost per year of life saved. Cost per quitter was based on a calculation of the total cost of the quitline divided by the number of individuals who reported abstinence after 12 months. The cost per life year saved (LYS) was calculated by the use of data from the literature on average life expectancy for smokers versus quitters, the total cost of the quitline, and the cost of pharmacological treatment.Results: The number of smokers who used the quitline and reported abstinence after 1 year was 354 (31 percent). The accumulated number of life years saved in the study population was 2,400. The cost per quitter was 1,052–1,360 USD, and the cost per life year saved was 311–401 USD. A sensitivity analysis showed that, for outcomes down to an abstinence rate of 20 percent, the cost per LYS rose modestly, from 311 to 482 USD. Discounting the cost per LYS showed the cost to be 135 USD for 3 percent and 283 USD for 5 percent.Conclusions: The Swedish quitline is a cost-effective public health intervention compared with other smoking cessation interventions.