bluuebunny/crossref_metadata_2025_split huggingface dataset:
Disability and participation: It's about us but still without us!
Authors: Radermacher Harriet , Sonn Christopher , Keys Christopher , Duckett Paul 
Published: March 2010

AbstractParticipation is often espoused as a strategy to promote inclusion, social justice and equality. Exactly how to facilitate participation in practice is often not explicated, nor are the challenges or issues highlighted. By drawing on interview data, the first aim of this paper is to identify the key barriers to participation in an organizational planning activity as experienced by 12 disabled and non‐disabled staff and board members in a small community‐based disability advocacy organization. The second aim is to draw upon Jim Ife's principles of participation to further analyse the factors that hinder and enable participation in organizations. Reported barriers to participation were categorized at individual, interpersonal and organizational levels of analysis, and included a lack of skills and competence, interpersonal conflicts, poor resourcing and ad hoc processes. The importance of understanding the dynamic interplay of individual and structural factors, valuing different forms of participation and having participatory structures and processes embedded in organizational settings are all highlighted. This study illustrates that, even in an organization that is specifically attuned to meeting the needs of disabled people, there is still considerable exclusion and institutional discrimination. Strategies to promote participation within an organizational context may include providing sufficient time for reflection and support, and opportunities for board members to learn how to take part in constructive planning activities and to develop their strengths. Copyright © 2010 John Wiley & Sons, Ltd.
Solution‐Phase Racemization in the Presence of an Enantiopure Solid Phase
Authors: Viedma Cristobal , Verkuijl Bastiaan J. V. , Ortiz José E. , de Torres Trinidad , Kellogg Richard M. , Blackmond Donna G. 
Published: March 2010

AbstractSolution‐phase racemization drives the evolution of single chirality in the solid phase by the “chiral amnesia” process first described by Viedma. The current investigations lay the basis for a better understanding of the mechanism of the solid‐phase deracemization by uncoupling the chemical rate processes associated with the interconversion of enantiomers in the solution phase from the physical processes associated with solution–solid phase transfer via dissolution and reaccretion of molecules onto crystals. In addition, the enantiomer concentration profiles presented in this work, together with an analytical treatment of the racemization process in the presence of excess enantiopure solid, unequivocally reconfirm the validity of the Meyerhoffer double solubility rule for systems under solution racemization conditions.
Molecular Structure of Amyloid Fibrils Formed by Residues 127 to 147 of the Human Prion Protein
Authors: Lin Ni‐Shian , Chao John Ching‐Hao , Cheng Hsin‐Mei , Chou Fang‐Chieh , Chang Chi‐Fon , Chen Yun‐Ru , Chang Yu‐Jen , Huang Shing‐Jong , Chan Jerry C. C. 
Published: March 2010

AbstractAmyloid fibrils are filamentous and insoluble forms of peptides or proteins. Proline has long been considered to be incompatible with the cross‐β structural motif of amyloid fibrils. On the basis of solid‐state NMR spectroscopy data, we present a structural model of an in‐register parallel β sheet for the amyloid fibrils formed from a human prion protein fragment, huPrP127–47. We have developed a simple solid‐state NMR spectroscopy technique to identify solvent‐protected backbone amide protons in a H/D exchange experiment without disaggregating the amyloid fibrils, from which we find that proline residue P137 does not disrupt the β‐sheet structure from G127 to G142. We suggest that the resultant kink at P137 generates a twist between adjacent peptide strands to maintain hydrogen bonding in the β‐sheet regions flanking the P137 residue. Although proline can be well integrated into the cross‐β structure of amyloid fibrils, the kink formed at the position of the proline residue will considerably weaken the hydrogen bonding between the neighboring strands, especially when the mutation site is near the central region of a β sheet.
Structural Analysis of a Helical Peptide Unfolding Pathway
Authors: Diana Donatella , Ziaco Barbara , Scarabelli Guido , Pedone Carlo , Colombo Giorgio , D'Andrea Luca D. , Fattorusso Roberto 
Published: March 2010

AbstractThe analysis of the folding mechanism in peptides adopting well‐defined secondary structure is fundamental to understand protein folding. Herein, we describe the thermal unfolding of a 15‐mer vascular endothelial growth factor mimicking α‐helical peptide (QKL10A) through the combination of spectroscopic and computational analyses. In particular, on the basis of the temperature dependencies of QKL10A Hα chemical shifts we show that the first phase of the thermal helix unfolding, ending at around 320 K, involves mainly the terminal regions. A second phase of the transition, ending at around 333 K, comprises the central helical region of the peptide. The determination of high‐resolution QKL10A conformational preferences in water at 313 K allowed us to identify, at atomic resolution, one intermediate of the folding–unfolding pathway. Molecular dynamics simulations corroborate experimental observations detecting a stable central helical turn, which represents the most probable site for the helix nucleation in the folding direction. The data presented herein allows us to draw a folding–unfolding picture for the small peptide QKL10A compatible with the nucleation–propagation model. This study, besides contributing to the basic field of peptide helix folding, is useful to gain an insight into the design of stable helical peptides, which could find applications as molecular scaffolds to target protein–protein interactions.
Compositional Analysis and Adsorption Performance of Surfactants Used for Combined Chemical Flooding
Authors: Kang Wanli , Zhang Hongyan , Meng Lingwei , Liu Shuren 
Published: March 2010

AbstractAdsorption of surfactants on reservoir sands in a combined chemical flooding process was investigated using a microcosmic method in order to reveal the effects of surfactant composition on their adsorption. Alkylbenzenesulfonate types of surfactant have been used in this study. The experimental results indicate that surfactant adsorption on the sands heavily depends on its lipophilicity, and the adsorption quantity increases with increasing the lipophilic chain length of the surfactant. It was found that the saturated adsorption could be reached when the concentration of the surfactant was near the critical micelle concentration (CMC). For oilfield applications, the molecular ion peak of the alkylbenzene‐sulfonate type surfactants should concentrate at around C18.
DFT Study of N2O Activation with La+, Hf+, Ta+ and W+ in the Gas Phase
Authors: Zhang Jianhui , Wang Yongcheng , Leng Yanli , Li Fengxian 
Published: March 2010

AbstractThe spin‐forbidden reaction N2O(X1Δ)+M+→N2 (X1Σ+g)+MO+(M+=La+, Hf+, Ta+, W+) was discussed using density functional theory. The reaction mechanism between M+ transition metal ions and N2O is an insertion‐elimination one. All products are formed in exothermic processes. The potential energy curve crossings, which dramatically affect reaction mechanisms, were discussed in detail. In comparison with the previous work, an essential conclusion could be drawn that the reaction N2O(X1Δ)+CO(1Δ+)→N2(X1Σ+g)+CO2(1Σ+g) catalyzed by M+ was endothermic by 358.89 kJ·mol−1 which is in accord with the experiment finding.
3,4,9,10‐Perylenetetracarboxylic Acid Derivatives, Their Spectral Behavior and Their Chemical Interaction with Hydrated Iron Oxide Nanopar
Authors: El‐Sayed Yusif S. , El‐Daly Samy A. 
Published: March 2010

AbstractThe photophysical properties such as electronic absorption, excitation and emission spectra as well as molar absorptivity and fluorescence quantum yield of N,N‐bis(pyrimidenyl)‐3,4,9,10‐perylenetetracarboxylic diimide (PmPBD), N,N‐bis(pyridenyl)‐3,4,9,10‐perylenetetracarboxylic diimide (PyPBD) and N,N‐bis(4‐methylpyridenyl)‐3,4,9,10‐perylenetetracarboxylic diimide (MPyPBD) have been measured in different solvents. Both electronic absorption and fluorescence spectra are not sensitive to medium polarity, while the fluorescence quantum yield ((f) is solvent dependent. Perylene derivatives under investigation undergo molecular aggregation to dimmer or larger aggregates in water. Dye solution in dimethylformmaide (DMF) gives laser emission at 565 nm upon pumping with 337.1 nm nitrogen laser pulse. The excitation energy transfer from 7‐dimethylamino‐4‐methylcoumarine (DMC) to PmPBD has been studied to improve the laser emission of PmPBD. The value of energy transfer rate constant (kET) and critical transfer distance (R0) indicate a F?rster type energy transfer mechanism. There is a large interaction between the perylene compounds under investigation and the hydrated nanoparticles in the excited state therefore the fluorescence quenching rate constant of these derivatives by hydrated iron oxide nanoparticles has a large value.
Preparation of Ammonium Cerium Phosphate via Low‐heating Solid State Reaction and Its Catalysis for Benzyl Acetate Synthesis
Authors: Liao Sen , Chen Zhipeng , Liu Gang , Tian Xiaozhen , Wang Tianshun , Wu Wenwei 
Published: March 2010

AbstractAmmonium cerium phosphate was prepared with (NH4)3PO4·3H2O and Ce(SO4)2·4H2O as raw materials and PEG‐400 as surfactant via a solid state reaction at low‐heating temperature. The characterization result of XRD indicates that the molecular formula of the product was (NH4)2Ce(PO4)2·H2O. The synthesis of benzyl acetate was carried out with H2SO4/ammonium cerium phosphate as catalyst, and uniform experimental design as well as data mining technology was applied to the experiments, in which the effect of the reaction time, the molar ratio of acid to alcohol and the amount of catalyst on the conversion yield of acetic acid were studied. When benzalcohol was 0.10 mol, under the optimal reaction conditions, i.e. reaction time of 174 min, 2.02 of molar ratio of acid to alcohol and 0.5 g of catalyst, the esterification rate of acetic acid was 97.9%. The ammonium cerium phosphate had potential for industry application since it not only was feasible and simple in synthesis technics, but also had good catalysis activity for the synthesis of benzyl acetate.
Three Component Reaction: An Efficient Synthesis of 3,4‐Dihydropyrimidin‐2(1H)‐ones and Thiones Using Heterogeneous Catalyst
Authors: Kamble Vinod Tribhuvannathji , Muley Dnyanoba Baburao , Atkore Sandeep Tukaram , Dakore Sharad Digambarrao 
Published: March 2010

AbstractFluoroboric acid supported on silica gel (HBF4‐SiO2) catalyzes efficiently the three component condensation of an aldehyde, a 1,3‐dicarbonyl compound and urea or thiourea to afford the corresponding 3,4‐dihydropyrimidin‐ 2(1H)‐ones and thiones in high yields. The ambient conditions, fast reaction rates, and excellent product yields are the important characteristics of this reaction.
Non‐isothermal Decomposition Kinetics, Specific Heat Capacity and Adiabatic Time‐to‐explosion of a High Energy Material: 4,6‐Bis(5‐amino‐3‐nitro‐1,2,4‐triazol‐1‐yl)‐5‐nitropyrimidine
Authors: Zhang Laying , Heng Shuyun , Jia Siyuan , Xu Kangzhen , Zhang Gao , Yi Jianhua , Wang Bozhou , Zhao Fengqi 
Published: March 2010

AbstractThe thermal behavior of 4,6‐bis‐(5‐amino‐3‐nitro‐1,2,4‐triazol‐1‐yl)‐5‐nitropyrimidine (BANTNP) was studied under a non‐isothermal condition by DSC, PDSC and TG/DTG methods. The kinetic parameters (Ea and A) of the exothermic decomposition reaction are 304.52 kJ·mol−1 and 1024.47 s−1 at 0.1 MPa, 272.52 kJ·mol−1 and 1021.76 s−1 at 5.0 MPa, respectively. The kinetic equation at 0.1 MPa can be expressed as:
dα/dT=1025.3(1−α)3/4exp(−3.8044×104/T)/β
The critical temperature of thermal explosion is 588.28 K. The specific heat capacity of BANTNP was determined with a Micro‐DSC method, and the standard molar specific heat capacity is 397.54 J·mol−1·K−1 at 298.15 K. The adiabatic time‐to‐explosion of BANTNP was calculated to be 11.75 s.
Enhancement of Electrochemical Capacitance of Carbon Nanotubes by Polythionine Modification
Authors: Xu Ying , Zhang Xiaoyan , Wang Yanzhi , He Pingang , Fang Yuzhi 
Published: March 2010

AbstractThionine molecules have been electropolymerized onto different types of carbon nanotubes (CNT) using a cyclic voltammetry scanning technology, including multi‐walled carbon nanotubes, single‐walled carbon nanotubes and aligned carbon nanotubes. Results indicate that such prepared nanocomposites have combined the intrinsic faradic capacitance of polythionine with the double layer capacitance of polythionine‐CNT, and thus the polythionine modification obviously enhanced the CNT capacitance. Especially the carboxyl group modified multi‐walled carbon nanotubes, which have made their nanotube tips opened, allowed much more electropolymerization cycles and then obtained a most significant increment in capacitance than the other three ones.
First Reaction of a Chiral Gly‐Ni(II) Complex in Water
Authors: Liu Guannan , Zhou Yu , Ding Xiao , Wang Jiang , Jiang Hualiang , Liu Hong 
Published: March 2010

AbstractThe amination of a chiral Ni(II) complex as a model reaction was studied to develop a highly practical, efficient, and stereospecific approach for Ni(II) complex reactions in an aqueous phase. A convenient and clean water‐mediated reaction of the Ni(II) complex has been reached, and a broad spectrum of substrates could participate in the process effectively to produce desired products in good yields and excellent diastereoselectivities. Significantly, it is the first report of chiral gly‐Ni(II) complex reaction in aqueous media.
Stereoselective Cycloaddition of N‐Acyliminium Ions with α,β‐Unsaturated Ketones and Esters
Authors: Qiao Lingfeng , Zhou Yuehua , Zhang Wei 
Published: March 2010

AbstractThe [4+2] reactions of N‐acyliminium ions, produced from 2‐aryl‐3‐hydroxy‐2,3‐dihydroisoindol‐1‐ones or 5‐hydroxy‐1‐phenyl‐2,5‐dihydro/2,3,4,5‐tetrahydropyrrol‐2‐ones in the presence of BF3OEt2, with α,β‐unsaturated ketones or esters were examined, and the dependence of these reactions on the substituents at double bonds was clarified. For β‐aryl substituted α,β‐unsaturated ketones and esters such as 4‐aryl‐3‐buten‐2‐ones, chalcones and methyl cinnamate, the [4+2] reactions could proceed smoothly at room temperature to afford 6‐acyl‐5,6,6a,11‐tetrahydroisoindolo[2,1‐a]quinolin‐11‐ones and 4‐acyl‐1,3a,4,5‐tetrahydropyrrolo[1,2‐a]quinolin‐ 1‐ones or 4‐acyl‐1,2,3,3a,4,5‐hexahydropyrrolo[1,2‐a]quinolin‐1‐ones in moderate to high yields; while for simple α,β‐unsaturated ketones and esters such as methyl crotonate and ethyl 3‐methylbut‐2‐enoate, except mesityloxide, the [4+2] reactions were difficult to proceed. The cycloaddition reactions were highly stereoselective, and only one stereoisomer was produced in each reaction.
Rhombic Polyaniline Microsheets Constituted of Nanoparticles: Synthesis and Application to the Detection of Dopamine
Authors: Wang Xiuhua , Shao Mingwang , Liu Li , Shao Guang 
Published: March 2010

AbstractRhombic polyaniline microsheets constituted of nanoparticles with the average diameter of 130 nm were synthesized and characterized by SEM, XRD and FTIR spectroscopy. A glassy carbon electrode modified with such rhombic polyaniline microsheets was fabricated and employed to detect dopamine via cyclic voltammetry, which displayed excellent electrochemical stability and sensitivity compared with the bare electrode. A linear relationship between the concentrations of dopamine and its oxidation peak currents was obtained. The proposed method was simple and economical in terms of the electrochemical method and apparatus.
Technetium‐99m‐sestamibi Redistribution after Exercise Stress Test Identified by a Novel Cardiac Gamma Camera: Two Case Reports
Authors: Sheikine Yuri , Berman Daniel S. , Di Carli Marcelo F. 
Published: March 2010

AbstractSingle photon emission computer tomography (SPECT) myocardial perfusion imaging (MPI) employing technetium‐99m (Tc‐99m)‐based imaging tracers is the mainstay of nuclear cardiology for the detection of myocardial ischemia. Current guidelines for same day rest/stress Tc‐99m‐sestamibi SPECT MPI recommend image acquisition 15–60 minutes after the stress testing. A novel sensitive SPECT imaging technique, D‐SPECT, allows fast acquisition of images and captures rapid changes in radiotracer distribution. Here we report 2 cases of SPECT MPI in patients with angiographically confirmed coronary artery disease (CAD) where Tc‐99m‐sestamibi exhibited marked redistribution between early (6–8 min) and late (60–70 min) post‐stress imaging leading to an underestimation of the extent and severity of ischemia on late images. These observations suggest that early imaging maybe more sensitive for CAD detection. Fast SPECT imaging techniques, such as D‐SPECT, will facilitate similar studies in the future as they will allow fast image acquisition at several time points after the stress test. Copyright © 2010 Wiley Periodicals, Inc.
Multimode phonon structure of Be‐containing II ‐ VI mixed crystals determined by IR spectroscopic ellipsometry
Authors: Wronkowska A. A. , Wronkowski A. , Skowroński Ł. , Firszt F. 
Published: March 2010

AbstractSpectroscopic ellipsometry in the infrared spectral range 250‐5000 cm‐1 is used for analysis of the dielectric response of Zn1‐x‐yBexMgySe and Zn1‐x‐yBexMnySe crystals grown by a high‐pressure Bridgman method. Ellipsometric spectra display features in the spectral range 390‐500 cm‐1 associated with BeSe‐type phonon modes. In the optical spectra of Zn1‐x‐yBexMgySe crystals both BeSe‐type and MgSe‐type lattice absorption bands are detected. The MgSe‐like modes are located at approximately 300 cm‐1. The complex dielectric functions can be reproduced using a model with two or three and one or two classical damped oscillators corresponding to the BeSe‐like and the MgSe‐like transverse‐optical phonon modes, respectively. The frequencies of longitudinal‐optical phonons have been derived from the dielectric loss functions. A red‐shift of the BeSe‐like phonons frequencies with a mean rate 0.42 cm‐1 (0.50 cm‐1) per mole percent of Mg (Mn) incorporated to the alloy has been found for examined concentration range x, y ≤ 0.25. A noticeable damping the intensities of BeSe‐type modes with increasing fraction of Mg and Mn dopant is observed in comparison to the strengths of BeSe‐type modes in Zn1‐xBexSe crystals. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Explanations of the optical absorption and ESR spectrum for tetragonal Ni+ centers in CuAlS2:Ni+ crystals
Authors: Wu Ying , Wang Li‐Juan J. , Liu Guo‐Yue 
Published: March 2010

AbstractIn this paper, the optical absorption and electron spin resonance (ESR) spectrum of Ni+‐doped CuAlS2 crystals have been studied by using a double spin‐orbit (SO) coupling approximation model, where the effects due to the SO coupling of the central metal 3d1 ion and those of ligands are included. From this model, the formulas of the ESR g factors g‖, g⊥ and hyperfine structure constants A‖, A⊥ for 3d1 ions in the tetragonal MX4 clusters are constructed. The optical absorption and ESR parameters for Cu+ sites of CuAlS2 have been calculated. The results obtained show that Ni+ ions substitute for Cu+ ions sites. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Physics Programme for Initial Operation of Wendelstein 7‐X
Authors: Bosch H.‐S. , Dinklage A. , Klinger T. , Wolf R. , Wendelstein 7‐X Team  
Published: March 2010

AbstractIt is the mission of the Wendelstein 7‐X (W7‐X) stellarator to demonstrate the reactor potential of the optimized stellarator line. Therefore W7‐X has to demonstrate high‐power, steady‐state operation. After completion of its construction and commissioning of the device, a first operational phase is planned to investigate basic stellarator properties and to prepare later steady‐state operation of Wendelstein 7‐X. The physics programme for this initial operation period has been developed recently to comply with the physics goals of W7‐X and will be discussed in this paper (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Rapid onset metastatic pulmonary calcifications in end‐stage renal disease
Authors: Tendulkar Ketki , Lazenby Audrey J. , Groggel Gerald C. 
Published: March 2010

AbstractMetastatic calcification occurs in patients on long‐term dialysis. Electrolyte imbalances in these individuals can result in calcium deposition into otherwise normal tissues. In this article, we present the unusual case of a patient who progressed to end‐stage renal disease soon after a liver transplant and developed extensive pulmonary metastatic calcifications within a few months of starting dialysis. A 56‐year‐old female underwent an orthotopic liver transplant for end‐stage liver disease secondary to hepatitis C; her immunosuppression included tacrolimus and prednisone. She developed acute kidney injury in the immediate post‐operative period, which progressed to end‐stage renal disease. Her serum calcium and phosphorus levels were within normal limits. Within a few months, a CT scan of her chest showed progressive development of metastatic pulmonary calcification. A CT‐guided right lung biopsy showed extensive calcification in the alveolar and blood vessel walls with fibroblastic plugs in the alveolar spaces. To our knowledge, this is the first report of metastatic pulmonary calcification developing rapidly after initiation of hemodialysis. Immunosuppressive therapy may have played a role in the development of metastatic calcification.
Treatment of secondary hyperparathyroidism in chronic kidney disease, and its effect on the QT interval
Authors: Samson Wilner , Winston Jonathan , Krishnaswamy Jayapriya , Uribarri Jaime 
Published: March 2010

AbstractBACKGROUNDProlongation of corrected QT interval (QTcp) can result in arrhythmias, which may, in part, be responsible for the increased cardiovascular mortality in chronic kidney disease (CKD) patients. Since hypocalcemia can cause QTcp, we postulated a link between QTcp and disturbances in divalent ions seen in CKD patients with secondary hyperparathyroidism (sHPT).METHODSWe prospectively determined the prevalence of sHPT, hypocalcemia, and QTcp in 97 CKD patients. Patients with a parathyroid hormone (PTH) level ≥200 pg/mL were initiated on a vitamin D protocol for 1 year. QTc was measured at baseline and follow‐up using an electrocardiogram (ECG) recorder.RESULTSThe initial mean value for PTH was 343 ± 334 pg/mL. Nearly two‐thirds of the patients had PTH values >200 pg/mL. The mean QTc was 441 ± 41.9 msec. There was no significant change in the QTc for treated and untreated patients. PTH had a significant decrease in the treated patients, from 522 ± 379 to 312 ± 244 pg/mL. The mean PTH significantly increased in the untreated patients from 227 ± 197 to 302 ± 322 pg/mL. The corrected calcium non‐significantly decreased from 9.4 ± 1.0 to 9.0 ± 2.2. At 5 years follow‐up, nearly half of this cohort had died; however we did not observe any significant difference in mortality between treated and untreated patients.CONCLUSIONSWe observed a 44.7% prevalence of prolonged QTc in an unselected population of CKD patients. This cohort had a high prevalence of sHPT. Treatment of sHPT did not appear to have an effect on QTc or mortality.