bluuebunny/crossref_metadata_2025_split huggingface dataset:
Sequences distribution of poly(ethylene terephthalate‐isophthalate) copolymers: Experimental TREF study and numerical simulation
Authors: Lodefier Philippe , Daoust Daniel , Jonas Alain M. , Legras Roger 
Published: March 2011

AbstractThe fractionation of a statistical copolyester made of poly(ethylene terephthalate‐ isophthalate) has been performed using Temperature Rising Elution Fractionation (TREF). TREF fractions were analyzed by size exclusion chromatography, thermal analysis, 1H‐nuclear magnetic resonance and small angle X‐Ray diffractometry. Results show that the fractions exhibit both interchain and intrachain defect distribution. As the intrachain defect distribution can not be determined by experimental techniques, a computer simulation based on the determination of terephthalic sequences length in a virtual polymeric distribution was performed. The simulated chains were constructed using a stochastic process. The analysis of the results obtained on the distribution of the simulated sequences in the polymer correlates quantitatively well between the new fractionation mechanism proposed for copolyesters and the experimental results.
Effect of the corona treatment and of the 1,4‐cyclohexanedimethanol on the surface characteristics of the poly(ethylene terephthalate) film
Authors: Pinto Georgia Vieira De Vasconcelos Vilaça , De Abreu César Augusto Moraes , Knoechelmann Augusto , De Almeida Yêda Medeiros Bastos 
Published: March 2011

AbstractSeveral techniques have been applied for the characterization of three PET films surfaces: homopolymer PET film, corona treated PET film and a poly(ethylene terephthalate‐co‐1,4‐cyclohexanedimethanol) film. The objective of this work is to investigate and to apply precise and mutually complementary techniques which give detailled information about theses surfaces, as there are few papers with global and conclusive results. The film surfaces were investigated to support the development of new products and envisage new apllications to the existent films.Scanning electron micrographs, attenuated total reflection Fourier transform infrared spectroscopy (FTIR‐ATR) and multiple internal reflection Fourier transform infrared spectroscopy (FTIR‐MIR) spectra show that the chemical composition, topography and surface roughness of the films are different. The corona‐treated PET film shows high surface tension value due to the major contribution on the polar groups and oxidation level acquired. The copolyester film is much less crystalline than the other films analyzed, as demonstrated by refractive index measurements and X‐ray photoelectron spectroscopy (XPS). The amorphous structures obtained and the high tension level of the corona‐treated films provide a better understanding of the adhesion phenomena.In view of results obtained, one can assume that corona treated films owing to its higher surface tension and films with CHDM owing to its surface amorphization should provide manufacturing industries better processing conditions than films without surface treatment and also higher levels of adhesion to paints and coatings.
“Theory of mind” is impaired in Huntington's disease
Authors: Brüne Martin , Blank Karina , Witthaus Henning , Saft Carsten 
Published: March 2011

AbstractBackground:Huntington's disease (HD) is an autosomal dominant degenerative brain disorder that is characterized by motor, cognitive, and affective symptoms. There is, to some, degree, phenomenological overlap with schizophrenia. Schizophrenia patients are frequently impaired in “theory of mind” (ToM), that is, the ability to reflect on the mental states of self and others, with mixed evidence for a ToM deficit in HD.Methods:We examined ToM and neurocognitive functioning in 25 patients diagnosed with HD. For comparison, 25 patients with schizophrenia and 25 healthy controls, matched for age and gender, were included.Results:Patients with HD were impaired in ToM relative to controls. The pattern of neurocognitive deficits including ToM strikingly resembled the one found in schizophrenia, suggesting a selectively impaired ToM. In contrast to previous schizophrenia research, ToM was not associated with functional measures on the Unified Huntington's Disease Rating Scale (UHDRS).Conclusions:The present study shows that patients with HD have deficits in ToM similar to schizophrenia. The association of impaired ToM with function needs to be established in future studies using rating scales that more specifically address interpersonal problems. © 2011 Movement Disorder Society
Parkinson's syndrome and Parkinson's disease in mitochondrial disorders
Authors: Finsterer Josef 
Published: March 2011

AbstractIn the majority of cases, mitochondrial disorders are multisystem conditions that most frequently affect the skeletal muscle, followed by the central nervous system. One of the clinical manifestations of central nervous system involvement is Parkinson's syndrome (PS). Evidence for an association of mitochondrial defects with PS comes from mitochondrial disorder patients who have developed Parkinson's syndrome and from Parkinson's syndrome patients who have developed a mitochondrial disorder. In addition, there are a number of patients with Parkinson's syndrome or Parkinson's disease (PD) who later develop subclinical immunohistological or biochemical indications of mitochondrial defects or accumulates mitochondrial DNA mutations within various cerebral regions. There are also Parkinson's syndrome patients who present with elevated cerebrospinal‐fluid lactate by magnetic resonance spectroscopy. Furthermore, it has been shown that mutations in genes causing PD, such as PINK1, parkin, DJ1, alpha‐synuclein, and LRRK2, also cause mitochondrial dysfunction, which is one of the reasons why they are called mitochondrial nigropathies. Parkinson's syndrome in patients with a mitochondrial disorder may also result from oxidative stress or exogenous toxins. Treatment of mitochondrial Parkinson's syndrome is not at variance with the treatment of Parkinson's syndrome due to other causes, but because of the multisystem nature of mitochondrial disorders, mitochondrial Parkinson's syndrome requires additional therapeutic support. © 2011 Movement Disorder Society
Kinetic Analysis of Nanocomposites Prepared in situ Consisting of an Aliphatic Biodegradable Polyester and Fumed Silica Nanoparticles
Authors: Kostoglou Margaritis , Bikiaris Dimitrios 
Published: March 2011

AbstractPPSu/fumed silica nanocomposites are prepared by in situ polymerization using 0.25, 0.5, 1, and 2.5 wt.‐% SiO2. The SiO2 content affects both esterification and polycondensation reactions directly. By increasing the SiO2 content in esterification, the rate of water production decreases. The reaction between PPSu and silanol groups of SiO2 is confirmed by XPS analysis. A quantitative model is developed to describe the influence of the SiO2 particles on the water production rate during esterification. The main reason for this is the adsorption of the produced water on the particles. The rate of adsorption/desorption processes is assumed to be comparable to the water evaporation rate in order to reproduce the experimental water production curves. magnified image
Water sorption characteristics of poly(2‐hydroxyethyl acrylate)/silica nanocomposite hydrogels
Authors: Pandis Christos , Spanoudaki Anna , Kyritsis Apostolos , Pissis Polycarpos , Hernández José Carlos Rodríguez , Gómez Ribelles Jose Luis , Monleón Pradas Manuel 
Published: March 2011

AbstractWater sorption in hydrogels based on nanocomposites of poly(2‐hydroxyethyl acrylate) (PHEA) and silica, prepared by simultaneous polymerization and sol‐gel process, were studied gravimetrically over wide ranges of silica content, both below and above the percolation threshold of about 15% wt for the formation of a continuous inorganic network interpenetrated with the organic network. Measurements were performed at room temperature from the vapor phase, both at equilibrium and dynamic, for selected values of water activity αw between 0 and 0.95, and from the liquid phase. In the nanocomposite hydrogels, the overall water uptake from the vapor phase is practically the same as in pure PHEA below the percolation threshold, whereas it is reduced above the percolation threshold, in particular at high αw values where swelling becomes significant. Water clustering sets in at around 14 vol % (10 wt %) of water independently of composition, whereas the mean value of water molecules in a cluster decreases at high silica contents. In immersion experiments water uptake decreases as silica content increases to the percolation threshold of about 15 wt % and is then almost independent of composition. A scheme is proposed, which explains these results in terms of the existence of micelles, where a number of hydrophilic hydroxy groups are linked together, and their disentaglement by immersion into water. Diffusion coefficients of water depend on water content and are reduced on addition of silica above the percolation threshold. © 2011 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2011
GSTpi modulates JNK activity through a direct interaction with JNK substrate, ATF2
Authors: Thévenin Anastasia F. , Zony Chati L. , Bahnson Brian J. , Colman Roberta F. 
Published: March 2011

AbstractHuman GSTpi, an important detoxification enzyme, has been shown to modulate the activity of JNKs by inhibiting apoptosis and by causing cell proliferation and tumor growth. In this work, we describe a detailed analysis of the interaction in vitro between GSTpi and JNK isoforms (both in their inactive and active, phosphorylated forms). The ability of active JNK1 or JNK2 to phosphorylate their substrate, ATF2, is inhibited by two naturally occurring GSTpi haplotypes (Ile105/Ala114, WT or haplotype A, and Val105/Val114, haplotype C). Haplotype C of GSTpi is a more potent inhibitor of JNK activity than haplotype A, yielding 75–80% and 25–45% inhibition, respectively. We show that GSTpi is not a substrate of JNK, as was earlier suggested by others. Through binding studies, we demonstrate that the interaction between GSTpi and phosphorylated, active JNKs is isoform specific, with JNK1 being the preferred isoform. In contrast, GSTpi does not interact with unphosphorylated, inactive JNKs unless a JNK substrate, ATF2, is present. We also demonstrate, for the first time, a direct interaction: between GSTpi and ATF2. GSTpi binds with similar affinity to active JNK + ATF2 and to ATF2 alone. Direct binding experiments between ATF2 and GSTpi, either alone or in the presence of glutathione analogs or phosphorylated ATF2, indicate that the xenobiotic portion of the GSTpi active site and the JNK binding domain of ATF2 are involved in this interaction. Competition between GSTpi and active JNK for the substrate ATF2 may be responsible for the inhibition of JNK catalysis by GSTpi.
Probing the different chaperone activities of the bacterial HSP70‐HSP40 system using a thermolabile luciferase substrate
Authors: Sharma Sandeep K. , De Los Rios Paolo , Goloubinoff Pierre 
Published: March 2011

AbstractDuring mild heat–stress, a native thermolabile polypeptide may partially unfold and transiently expose water‐avoiding hydrophobic segments that readily tend to associate into a stable misfolded species, rich in intra‐molecular non‐native beta‐sheet structures. When the concentration of the heat‐unfolded intermediates is elevated, the exposed hydrophobic segments tend to associate with other molecules into large stable insoluble complexes, also called “aggregates.” In mammalian cells, stress‐ and mutation‐induced protein misfolding and aggregation may cause degenerative diseases and aging. Young cells, however, effectively counteract toxic protein misfolding with a potent network of molecular chaperones that bind hydrophobic surfaces and actively unfold otherwise stable misfolded and aggregated polypeptides. Here, we followed the behavior of a purified, initially mostly native thermolabile luciferase mutant, in the presence or absence of the Escherichia coli DnaK‐DnaJ‐GrpE chaperones and/or of ATP, at 22°C or under mild heat–stress. We concomitantly measured luciferase enzymatic activity, Thioflavin‐T fluorescence, and light‐scattering to assess the effects of temperature and chaperones on the formation, respectively, of native, unfolded, misfolded, and/or of aggregated species. During mild heat‐denaturation, DnaK‐DnaJ‐GrpE+ATP best maintained, although transiently, high luciferase activity and best prevented heat‐induced misfolding and aggregation. In contrast, the ATP‐less DnaK and DnaJ did not maintain optimal luciferase activity and were less effective at preventing luciferase misfolding and aggregation. We present a model accounting for the experimental data, where native, unfolded, misfolded, and aggregated species spontaneously inter‐convert, and in which DnaK‐DnaJ‐GrpE+ATP specifically convert stable misfolded species into unstable unfolded intermediates. Proteins 2011; © 2011 Wiley‐Liss, Inc.
Moisture transport in midlatitude cyclones
Authors: Boutle I. A. , Belcher S. E. , Plant R. S. 
Published: March 2011

AbstractWe discuss how synoptic‐scale variability controls the transport of atmospheric water vapour by midlatitude cyclones. Idealized simulations are used to investigate quantitatively which factors determine the magnitude of cyclone moisture transport. It is demonstrated that large‐scale ascent on the warm conveyor belt and shallow cumulus convection are equally important for ventilating moisture from the boundary layer into the free troposphere, and that ventilated moisture can be transported large distances eastwards and polewards by the cyclone, before being returned to the surface as precipitation.The initial relative humidity is shown to have little effect on the ability of the cyclone to transport moisture, whilst the absolute temperature and meridional temperature gradient provide much stronger controls. Scaling arguments are presented to quantify the dependence of moisture transport on large‐scale and boundary‐layer parameters. It is shown that ventilation by shallow convection and warm‐conveyor‐belt advection vary in the same way with changes to large‐scale parameters. However, shallow convective ventilation has a much stronger dependence on boundary‐layer parameters than warm‐conveyor‐belt ventilation. Copyright © 2011 Royal Meteorological Society
Investigations of hyperfine structure and isotope shift predictions in Hf II
Authors: Bouazza Safa 
Published: March 2011

AbstractThe fine structure of the even‐parity low configurations of singly ionized hafnium has been reanalyzed by simultaneous parameterization of the one‐ and two‐body interactions for the model space (5d + 6s)3. Using the calculated eigenfunctions, the magnetic‐dipole A hyperfine constants for the whole 37 existing levels of the model space were predicted and compared partially with those obtained using relativistic configuration‐interaction approach. Moreover, combined with experimental data, previously given in the literature, and pseudo‐relativistic Hartree–Fock estimates, the field shifts (FSs) and specific mass shifts (SMSs) of numerous configurations are deduced: FS(5d16s2) = 2265 MHz, FS(5d3) = −1958 MHz, FS(5d16p2) = −1696 MHz, FS(6s26p1) = 3135 MHz, and SMS(5d16s2) = −78 MHz, SMS(5d3) = 64 MHz, SMS(6s26p1) = −228 MHz, referred to 5d26s for the pair 178Hf–180Hf. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012
Definition of an isodesmicity index from G3B3 energy components
Authors: Lories Xavier , Vandooren Jacques , Peeters Daniel 
Published: March 2011

AbstractIn this work, we define an isodesmicity index, which allows the evaluation of the conservation of the error within a given bond conserving reaction. This index is reaction‐specific and, therefore, does not rely on the nature of the reference systems. Several aspects of the index are tested, to verify that this measurement shows the desired behavior. The index is a tool, which should allow the user to establish the “best” bond conserving process for, for instance, the determination of a heat of formation. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012
The lowest order relativistic corrections for the hydrogen molecule
Authors: Datta Sumita , Alexander S. A. , Coldwell R. L. 
Published: March 2011

AbstractWe have calculated the lowest order relativistic corrections for the X 1Σ, B1Σ, a3Σ, b3Σ, I1Πg, C1Πu, i3Πg, c3Πu, J1Δg, and j3Δg states of the hydrogen molecule using variational Monte Carlo methods and compact, explicitly correlated trial wavefunctions. Our values are in good agreement with earlier calculations on the X1Σ and B1Σ states. For the other states, our work provides the first estimate of these properties. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Sustained treatment: Implications for treatment timescales associated with source‐depletion technologies
Authors: Adamson David T. , McGuire Travis M. , Newell Charles J. , Stroo Hans 
Published: March 2011

AbstractSustained treatment is an emerging concept used to describe enhancements in attenuation capacity after the conclusion of the active treatment period for a given source‐depletion technology. The term includes mechanisms that lead to contaminant transformation or destruction over extended periods of time, such as endogenous biomass decay, slow diffusion of remedial amendments from low‐permeability zones, and the formation of reactive mineral species. This “value‐added” treatment continues after the end of capital expenditures at a site, and it provides additional insight in determining if monitored natural attenuation is a viable long‐term option for a site. This article identifies several sustained treatment mechanisms, examines technology‐specific factors that contribute to sustained treatment, and explores the potential timescales of sustained treatment relative to active treatment. As demonstrated in post‐treatment site data obtained during a comprehensive source‐depletion technology performance survey, enhanced bioremediation is the most promising in promoting sustained treatment, and this beneficial effect can extend for several years due to factors such as slow biomass decay. There is little evidence that other commonly used technologies (thermal treatment, in situ chemical oxidation, surfactant‐enhanced remediation, or cosolvent flushing) result in any significant sustained treatment. An exception would be a cosolvent flushing project where large quantities of biodegradable cosolvent are left in the subsurface at the end of the project, which could result in sustained long‐term dechlorination activity. In the case of in situ chemical oxidation, factors that contribute to a higher incidence of concentration rebound mask any potential sustained treatment effects. © 2011 Wiley Periodicals, Inc.
Field study of biostimulation and bioaugmentation for remediation of tetrachloroethene in groundwater
Authors: Santharam Sathishkumar , Ibbini Jwan , Davis Lawrence C. , Erickson Larry E. 
Published: March 2011

AbstractA pilot field study was conducted for remediation of a tetrachloroethene (PCE)‐contaminated site in Manhattan, Kansas. Prior to the pilot study, the PCE concentration in groundwater at the pilot‐study area was about 15 mg/L (91 µM). Nutrient solution comprising soy oil methyl esters (SOME), lactate, and yeast extract was added in the pilot‐study area for biostimulation on August 18, 2005 (day 0). Potassium bromide (KBr) was added in the nutrient solution as a tracer. PCE was converted to dichloroethene (DCE) under these conditions. KB‐1, a consortium of Dehalococcoides, and a second dose of nutrient solution were added on day 56. After addition of KB‐1, both PCE and DCE concentrations decreased. Nutrients were again injected on day 197 (with KBr). On day 348, cheese whey was injected. Soluble nutrients and KB‐1 migrated downstream, affecting PCE and DCE concentrations at downgradient wells; however, KB‐1 moved slower than the aqueous phase. The total chlorinated ethenes (CEs) decreased by about 80 percent in the pilot‐study area due to bioremediation. Biodegradation of CEs continued for several months after the addition of nutrients. A portion of the insoluble SOME was retained in the vicinity of the injection wells and provided a long‐time source of nutrients and electron donors that supported degradation of PCE. A mixture of SOME and soluble substrates worked effectively in this study. © 2011 Wiley Periodicals, Inc.
Building capacity for community‐based brownfields remediation and redevelopment: An innovative technical assistance model
Authors: Lowrie Karen W. , Solitare Laura , Himmelfarb Katie 
Published: March 2011

AbstractThousands of unaddressed brownfields sites remain in our nation's poorest urban neighborhoods, despite almost two decades of federal and state attention to cleaning up and redeveloping these sites. Many of these neighborhoods have active community‐based organizations (CBOs) whose mission it is to improve the quality of life for disadvantaged residents whose lives are negatively impacted by these decaying, contaminated properties. Under the assumption that greater involvement of community organizations, specifically community development corporations (CDCs), would help to spur increased attention to and progress toward remediating these sites, we developed a pilot technical assistance program to build CDC capacity to facilitate or actually undertake brownfields redevelopment projects. This article describes the process of development and the program's content and structure and evaluates the program based on a pilot test conducted with two CDCs in a major US city. Future prospects for expansion of this type of program are discussed. © 2011 Wiley Periodicals, Inc.
Public preferences for environmental management practices at DOE's nuclear waste sites
Authors: Greenberg Michael , Mayer Henry , Powers Charles 
Published: March 2011

AbstractResidents who lived within 50 miles of one of six major US Department of Energy nuclear waste sites were asked in 2005 and again in 2010 to rate environmental management options. Respondents expressed strong preference for continuously sampling the air and water, monitoring worker health, and providing training and equipment to local responders. They strongly supported some site restrictions, such as making sure that the federal government owns the site until no more hazards are present, keeping visitors and recreational users off the site, and requiring government officials to report information to community representatives. The public was much more equivocal about other options, such as restricting new nuclear‐related activities and requiring site managers to live near sites. The authors summarize factors that lead to these public preferences and discuss five population types encountered at these and perhaps other waste management sites. © 2011 Wiley Periodicals, Inc.