bluuebunny/crossref_metadata_2025_split huggingface dataset:
Determination of metabolic profile of anti‐malarial trioxane CDRI 99/411 in rat liver microsomes using HPLC
Authors: Mishra Smriti , Manickavasagam Lakshmi , Jain Girish Kumar 
Published: April 2011

ABSTRACTCDRI 99/411 is a potent 1,2,4‐trioxane anti‐malarial candidate compound of the Central Drug Research Institute, India. This study aimed to conduct comprehensive in vitro metabolic investigations of CDRI 99/411 to corroborate its preclinical investigations. Preliminary in vitro metabolic investigations were performed to assess the metabolic stability [in vitro half‐life (t1/2) and in vitro hepatic intrinsic clearance (Clint)] of CDRI 99/411 in male Sprague–Dawley rat and human liver microsomes using validated high‐performance liquid chromatography with photodiode array detector. The observed in vitro t1/2 of the compound in rat and human liver microsomes was 13 min with in vitro Clint 130.7 ± 25.0 μL/min/mg and 19 min with in vitro Clint 89.3 ± 17.40 μL/min/mg. These observations suggested moderate metabolic degradation and in vitro Clint with insignificant difference (p > 0.05) in the metabolic stability profile in rat and human. Hence, in vitro metabolic investigations were performed with rat liver microsomes. It was observed that CDRI 99/411 exhibited sigmoidal kinetics. At nonlinear regression (r ≥ 0.99) EC50 and Hill slope values were 17 µm and 1.50, respectively. The metabolism of CDRI 99/411 was primarily mediated by CYP3A2 and was inferred by CYP reaction phenotyping with known potent inhibitors. Two metabolites of CDRI 99/411 were detected which were undetectable on incubation with 1‐aminobenzotriazole and ketoconazole. Copyright © 2011 John Wiley & Sons, Ltd.
On‐line solid‐phase extraction LC‐MS/MS for the determination of Ac‐SDKP peptide in human plasma from hemodialysis patients
Authors: Inoue Koichi , Ikemura Ayaka , Tsuruta Yoshinari , Tsutsumiuchi Kaname , Hino Tomoaki , Oka Hisao 
Published: April 2011

ABSTRACTWe developed a high‐throughput method based on on‐line solid‐phase extraction liquid chromatography tandem mass spectrometry (SPE‐LC‐MS/MS) to determine N‐terminal thymosin‐β fragment peptide (N‐acetyl‐seryl‐aspartyl‐lysyl‐proline, Ac‐SDKP) in human plasma samples. Quantification of Ac‐SDKP was performed using direct injection for on‐line SPE based on C18, reversed‐phase LC separation and stable isotope dilution electrospray ionization‐MS/MS in multiple reaction‐monitoring (MRM) mode. The Ac‐SDKP‐13C6, 15N2 (m/z 496 → 137) was synthesized for the internal standard. The MRM ion for Ac‐SDKP was m/z 488 → 129 (quantitative ion)/226. The limit of detection and lower limit of quantitation were 0.05 and 0.1 ng/mL in standard solution, respectively. Recovery values were 98.3–100.4% with inter‐day (relative standard deviation, RSD, 0.4–14.1%) and intra‐day (RSD, 0.8–19.7%) assays. This method was applied to the measurement of Ac‐SDKP levels in plasma from hemodialyzed subjects. Concentrations were 0.59 ± 0.23 ng/mL (pre‐hemodialyzed subjects, n = 9) and 0.44 ± 0.19 ng/mL (post‐hemodialyzed subjects, n = 9). All plasma Ac‐SDKP levels were decreased by dialysis. Thus, plasma Ac‐SDKP was decreased through dialysis in chronic kidney disease. The findings in this study will be useful for the treatment of anemia in chronic kidney disease with dialysis. Copyright © 2011 John Wiley & Sons, Ltd.
Enhanced Solid‐Phase Photocatalytic Degradation Activity of a Poly(vinyl chloride)‐TiO2 Nanocomposite Film with Bismuth Oxyiodide
Authors: Yang C. , Deng K. , Peng T. , Zan L. 
Published: April 2011

AbstractA new type of photodegradable poly(vinyl chloride)‐bismuth oxyiodide/TiO2 (PVC‐BiOI/TiO2) nanocomposite film was prepared by embedding a nano‐TiO2 photocatalyst modified by BiOI into the commercial PVC plastic. The solid‐phase photocatalytic degradation behavior of the as‐prepared film was investigated in ambient air at room temperature under UV light irradiation, with the aid of UV‐Vis spectroscopy, weight loss monitoring, scanning electron microscopy, and FT‐IR spectroscopy. Compared to the PVC‐TiO2 nanocomposite film, the PVC‐BiOI nanocomposite film and the pure PVC film, the PVC‐BiOI/TiO2 nanocomposite film exhibited a higher photocatalytic degradation activity. The optimal mass ratio of BiOI to TiO2 was found to be 0.75 %. The weight loss rate of the PVC‐BiOI/TiO2 nanocomposite film reached 30.8 % after 336 h of irradiation, which is 1.5 times higher than that of the PVC‐TiO2 nanocomposite film under identical conditions. The solid‐phase photocatalytic degradation mechanism of the nanocomposite films was briefly discussed.
Stereo‐ and Regioselective Azide/Alkyne Cycloadditions in Carbonic Anhydrase II via Tethering, Monitored by Crystallography and Mass Spectrometry
Authors: Schulze Wischeler Johannes , Sun Dong , Sandner Nicola U. , Linne Uwe , Heine Andreas , Koert Ulrich , Klebe Gerhard 
Published: April 2011

AbstractThe carbonic anhydrase II mutant His64Cys was prepared and applied to tethered alkyne/azide cycloaddition reactions. The azide component could be tethered to the enzyme surface through a disulfide bridge, while the alkyne component was reversibly coordinated through a sulfonamide anchor to the zinc ion in the original catalytic center of the enzyme. The incipient orientation of the reactants in the binding site and of the formed triazole product were characterized by crystallography. The reaction progression could be monitored by HPLC‐MS analysis.
Recent Progress in Coupling of Two Heteroarenes
Authors: Zhao Dongbing , You Jingsong , Hu Changwei 
Published: April 2011

AbstractThe biheteroaryl structural motif is prevalent in polymers, advanced materials, liquid crystals, ligands, molecules of medicinal interest, and natural products. Many types of synthetic transformations have been known for the construction of heteroaryl–heteroaryl linkages. Coupling reactions provide one of the most efficient ways to achieve these biheterocyclic structures. In this review, four types of coupling reactions are discussed: 1) transition‐metal‐catalyzed coupling reactions of heteroaryl halides or surrogates with heteroarylmetals; 2) direct inter‐ and intramolecular heteroarylations of CH bonds of heteroarenes with heteroaryl halides or pseudohalides; 3) oxidative CH/CH homo‐ and cross‐couplings of two unpreactivated heteroarenes; and 4) transition‐metal‐catalyzed decarboxylative cross‐coupling reactions between haloheteroarenes or heteroarenes and heteroarenecarboxylic acids. The general purpose of this review is to give an exhaustive and clear picture in heteroaryl–heteroaryl bond formation as well as its application in the synthesis of natural products, pharmaceuticals, catalyst ligands, and materials.
Computing subdominant unstable modes of turbulent plasma with a parallel Jacobi–Davidson eigensolver
Authors: Romero Eloy , Roman Jose E. 
Published: April 2011

SUMMARYIn the numerical solution of large‐scale eigenvalue problems, Davidson‐type methods are an increasingly popular alternative to Krylov eigensolvers. The main motivation is to avoid the expensive factorizations that are often needed by Krylov solvers when the problem is generalized or interior eigenvalues are desired. In Davidson‐type methods, the factorization is replaced by iterative linear solvers that can be accelerated by a smart preconditioner. Jacobi–Davidson is one of the most effective variants. However, parallel implementations of this method are not widely available, particularly for non‐symmetric problems. We present a parallel implementation that has been included in SLEPc, the Scalable Library for Eigenvalue Problem Computations, and test it in the context of a highly scalable plasma turbulence simulation code. We analyze its parallel efficiency and compare it with a Krylov–Schur eigensolver. Copyright © 2011 John Wiley & Sons, Ltd.
Modelling of Carbon Erosion and Transport at Divertor Target Plate Using a Suite of Codes
Authors: Dai S. , Sun J. , Sang Ch. , Wang D. Z. 
Published: April 2011

AbstractTo investigate carbon‐based material erosion and ensuing eroded carbon species density distribution, a Particle‐In‐Cell Monte Carlo collision code plus a plasma‐surface interaction code were combined with a Monte Carlo impurity transport code ITCD. It is found that a “density hill” forms at a distance of 3‐4 mm from divertor target plate under certain circumstances: high plasma temperature, small incident angle and strength of the magnetic field. By means of the study with the combined code on several scenarios with different plasma temperatures, the incident angles and strengths of the magnetic field, the simulation results reveal that they have a significant influence on the chemical erosion of carbon‐based material and the spatial distribution of eroded carbon species density above divertor target plate: the eroded carbon species density is smaller at a lower plasma temperature; the scenario with smaller incident angle and greater strength of the magnetic field can reduce the chemical erosion of carbon‐based material and the eroded carbon species density above divertor target plate evidently (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Effect of mixing on biogas production during mesophilic anaerobic digestion of screened dairy manure in a pilot plant
Authors: Rico Carlos , Rico José Luis , Muñoz Noelia , Gómez Beatriz , Tejero Iñaki 
Published: April 2011

AbstractThe effect of mixing on biogas production of a 1.5‐m3 pilot continuous stirred tank reactor (CSTR) processing screened dairy manure was evaluated. Mixing was carried out by recirculation of reactor content with a mono pump. The experiment was conducted at a controlled temperature of 37±1°C and hydraulic retention times (HRTs) of 20 and 10 days. The effect of continuous and intermittent operation of the recirculation pump on biogas production was studied. At 10 days of HRT, the results showed a minimal influence of recirculation rate on biogas production and that continuous recirculation did not improve reactor performance. At 20 days of HRT, the recirculation rate did not affect reactor performance. Combination of low solid content in feed animal slurry and long HRTs results in minimal mixing requirements for anaerobic digestion.
Cloud water interception in the high altitude tree heath forest (Erica arborea L.) of Paul da Serra Massif (Madeira, Portugal)
Authors: Prada Susana , de Sequeira Miguel Menezes , Figueira Celso , Vasconcelos Rita 
Published: April 2011

AbstractCloud water interception (CWI) occurs when cloud droplets are blown against the forest canopy, where they are retained on the vegetation surface, forming larger water droplets that drip into the forest floor. CWI was measured from 1 October 1997 to 30 September 1999, on a first‐line tree heath (Erica arborea), at Bica da Cana, Madeira Island. Rainfall was corrected for wind‐loss effect and compared with throughfall and other climatological normals. The CWI depletion rate along a forest stand transect was also analysed during three distinct fog events in 2008. Cloud water was 28 mm day−1, corresponding to 68% of total throughfall and 190% of the gross precipitation. Cloud water correlates directly with monthly normals of fog days and wind speed and correlates inversely with the monthly air temperature normal. CWI has an exponential correlation with monthly relative humidity normal. Cloud water capture depletion along the stand shows a logarithmic decrease. Although a forest stand does not directly relate to a first‐line tree heath, this study shows that CWI is a frequent phenomenon in the Paul da Serra massif. Restoration and protection of high altitude ecosystems in Madeira should be a priority, not only for biodiversity, ecological and economical purposes but also for its role in regional water resources. Copyright © 2011 John Wiley & Sons, Ltd.
Evaluation of ASTER GDEM and SRTM and their suitability in hydraulic modelling of a glacial lake outburst flood in southeast Tibet
Authors: Wang Weicai , Yang Xiaoxin , Yao Tandong 
Published: April 2011

AbstractThe resolution and accuracy of digital elevation models (DEMs) can affect the hydraulic simulation results for predicting the effects of glacial lake outburst floods (GLOFs). However, for the Tibetan Plateau, high‐quality DEM data are often not available, leaving researchers with near‐global, freely available DEMs, such as the Advanced Spaceborne Thermal Emission and Reflection Radiometer Global Digital Elevation Model (ASTER GDEM) and the Shuttle Radar Topography Mission data (SRTM) for hydraulic modelling. This study explores the suitability of these two freely available DEMs for hydraulic modelling of GLOFs. Our study focused on the flood plain of a potentially dangerous glacial lake in southeastern Tibet, to evaluate the elevation accuracy of ASTER GDEM and SRTM, and their suitability for hydraulic modelling of GLOFs. The elevation accuracies of ASTER GDEM and SRTM were first validated against field global position system (GPS) survey points, and then evaluated with reference to the relatively high precision of 1:50 000 scale DEM (DEM5) constructed from aerial photography. Moreover, the DEM5, ASTER GDEM and SRTM were used as basic topographic data to simulate peak discharge propagation, as well as flood inundation extent and depth in the Hydrologic Engineering Center's River Analysis System one‐dimensional hydraulic model. Results of the three DEM predictions were compared to evaluate the suitability of ASTER GDEM and SRTM for GLOF hydraulic modelling. Comparisons of ASTER GDEM and SRTM each with DEM5 in the flood plain area show root‐mean‐square errors between the former two as ± 15·4 m and between the latter two as ± 13·5 m. Although SRTM overestimates and ASTER GDEM underestimates valley floor elevations, both DEMs can be used to extract the elevations of required geometric data, i.e. stream centre lines, bank lines and cross sections, for flood modelling. However, small errors still exist in the cross sections that may influence the propagation of peak discharge. The flood inundation extent and mean water depths derived from ASTER GDEM predictions are only 2·2% larger and 2·3‐m deeper than that of the DEM5 predictions, whereas the SRTM yields a flood zone extent 6·8% larger than the DEM5 prediction and a mean water depth 2·4‐m shallower than the DEM5 prediction. The modelling shows that, in the absence of high‐precision DEM data, ASTER GDEM or SRTM DEM can be relied on for simulating extreme GLOFs in southeast Tibet. Copyright © 2011 John Wiley & Sons, Ltd.
Early plasmapheresis followed by high‐dose γ‐globulin treatment saved a severely Rho‐incompatible pregnancy
Authors: Isojima Sakiko , Hisano Michi , Suzuki Teruaki , Sago Haruhiko , Murashima Atsuko , Yamaguchi Koushi 
Published: April 2011

AbstractAn alloimmunized pregnancy induces anemia in the fetus and can ultimately lead to fetal hydrops and intrauterine fetal death. A woman with a severe Rho‐incompatible pregnancy had experienced frequent pregnancies with fetomaternal transfusion without receiving RhIg and had high anti‐D antibody titers present from early pregnancy. We succeeded in long‐term inhibition of antibody production using plasmapheresis followed by high‐dose γ‐globulin treatment in early pregnancy. J. Clin. Apheresis, 2011. © 2011 Wiley‐Liss, Inc.
How to find an optimum cluster size through topological site properties: MoSxmodel clusters
Authors: Silva Alexander M. , Borges Itamar 
Published: April 2011

AbstractComputational investigations in catalysis frequently use model clusters to represent realistically the catalyst and its reaction sites. Detailed knowledge of the molecular charge, thus electronic density, of a cluster would then allow physical and chemical insights of properties and can provide a procedure to establish their optimum size for catalyst studies. For this purpose, an approach is suggested to study model clusters based on the distributed multipole analysis (DMA) of molecular charge properties. After full density functional theory (DFT) geometry optimization of each cluster, DMA computed from the converged DFT one‐electron density matrix allowed the partition of the corresponding cluster charge distribution into monopole, dipole, and quadrupole moments on the atomic sites. The procedure was applied to MoS2 model clusters Mo10S18, Mo12S26, Mo16S32, Mo23S48, and Mo27S54. This analysis provided detailed features of the charge distribution of each cluster, focused on the 1010 (Mo or metallic edge) and 1010 (sulfur edge) active planes. Properties of the Mo27S54 cluster, including the formation of HDS active surfaces, were extensively discussed. The effect of cluster size on the site charge distribution properties of both planes was evaluated. The results showed that the Mo16S32 cluster can adequately model both active planes of real size Mo27S54. These results can guide future computational studies of MoS2 catalytic processes. Furthermore, this approach is of general applicability. © 2011 Wiley Periodicals, Inc. J Comput Chem, 2011
New insights from hemichordate genomes: prebilaterian origin and parallel modifications in the paired domain of the Pax gene eyegone
Authors: Friedrich Markus , Caravas Jason 
Published: April 2011

AbstractThe evolutionary origin of the Drosophila Pax transcription factor gene eyegone (eyg) has long been enigmatic owing to the failure in detecting orthologs in other species and the unusual N‐terminal truncation of the DNA‐binding paired domain (PD). Based on the discovery of eyg orthologs in representatives of hemichordate phyla, we show that the origin of eyg predated metazoan diversification and that the PD experienced similar but independent N‐terminal modifications in the lineages to sea urchins and insects. Sequence conservation patterns further raise the possibility of persisting functionality in the N‐terminal PD of strongly modified eyg orthologs. Finally, we note that the evolutionary histories of eyg and the vertebrate Pax6 isoform 5a, which have been considered functional homologs, are not correlated. Taken together, these findings identify Drosophila eyg as the baptizing member of an ancient Pax gene subfamily and recommend abandoning its classification as Pax6(5a)‐related gene. J. Exp. Zool. (Mol. Dev. Evol.) 316:387–392, 2011. © 2011 Wiley‐Liss, Inc.
Exposing the true risks of capitation financed healthcare
Authors: Cox Thomas 
Published: April 2011

AbstractMany healthcare finance mechanisms involve transferring uncertain costs to healthcare providers in lieu of fixed payments or global capitation. Global capitation violates basic principles of risk management through insurance. Risk‐theoretic analysis of capitation shows that risk disaggregation forces efficient providers to become inefficient insurers. Risk‐assuming providers face lower profitability and increased exposure to operating losses, and must reduce patient benefits. Global capitation causes inefficiency, increases healthcare costs, and threatens patient‐provider relationships.
Phonon deformation potentials for the corundum structure of sapphire
Authors: Zhu Wenliang , Pezzotti Giuseppe 
Published: April 2011

AbstractA theoretical Raman polarization analysis is proposed for the corundum structure of sapphire (α‐Al2O3) and validation experiments conducted with the purpose of retrieving the full set of phonon deformation potentials (PDPs). From the theoretical side, the change in force constants under stress/strain has been expressed in matrix form, and close‐form solutions were obtained for the eigenvalues that take into account the local dependence of oblique phonons on crystallographic orientation (i.e. uncoupling the effects of local crystal orientation and stress tensor from the shifts of Raman bands). From the experimental side, controlled (uniaxial) stress fields were applied to sapphire parallelepiped bars (along known crystallographic axes) while Raman spectra were systematically recorded along the bar thickness. An untextured alumina polycrystal with fine grain size was also investigated according to the same procedure. As a result of this set of experiments, PDPs for both A1g and Eg vibrational bands could be retrieved. Validation of PDP constants was obtained by measuring the steeply graded stress fields developed ahead of a surface crack propagated along an arbitrary crystallographic direction in the R‐plane of the sapphire crystal. Copyright © 2011 John Wiley & Sons, Ltd.
ALLEVIATING THE INFERTILITY OF AN ACID SULPHATE SOIL BY USING GROUND BASALT WITH OR WITHOUT LIME AND ORGANIC FERTILIZER UNDER SUBMERGED CONDITIONS
Authors: Shazana M. A. R. S. , Shamshuddin J. , Fauziah C. I. , Syed Omar S. R. 
Published: April 2011

ABSTRACTA study was conducted into the alleviation of the infertility of an acid sulphate by using ground basalt with or without ground magnesium limestone (GML) and organic fertilizer. Fresh soils were treated with the amendments and subjected to two cycles of submergence and drying. The soil was dominated by kaolinite, mica and smectite. The untreated soil pH was <3·5 and solution Al was high. GML application at 4 t ha−1 was able to increase pH and subsequently reduced Al toxicity sufficiently to allow for rice growth. After 4 months of submergence, the pH of the sample treated with 4 t ground basalt ha−1 had increased from 3·61 to 3·94, with concomitant decrease of Al. In the same cycle, the soil pH increase was much higher (reaching 5·22). Ground basalt is thus comparable with GML as an acid soil ameliorant. Within the experimental period, the ground basalt had mostly disintegrated and dissolved. The solution pH had further increased (to 5·94) in the second cycle because of dissolution of more ground basalt. This means that it takes time for ground basalt to completely dissolve and consequently supply Ca, Mg, K and P to the growing crop in the field. Applying 0·25 t organic fertilizer ha−1 into the soil had no significant effect on either pH or Al. This form of organic matter (compost) contains essential nutrients. It is recommended that 4 t ground basalt should be applied in combination with 0·25 t organic fertilizer ha−1 a few months ahead of the growing season for maximal benefit. This study showed that ground basalt can be effectively used to ameliorate highly acidic soils. Copyright © 2011 John Wiley & Sons, Ltd.
Property blending relationships for binary mixtures of mineral oil and elektrionised vegetable oil: viscosity, solvent power, and seal compatibility index
Authors: Roegiers Michel , Zhmud Boris 
Published: April 2011

ABSTRACTThe present study provides quantitative data on the physicochemical properties of binary mixtures of a special class of bio‐based lubricity additives — elektrionised vegetable oils — with various classes of mineral base oils. A specific emphasis is placed upon viscosity blending relationships, solubility and seal compatibility. Experimental data are rationalised using appropriate theoretical models, which can be readily applied to property blending practice.It is shown that

For elektrionised vegetable oil/mineral oil binary systems, viscosity blending calculations can be guided by using Roegiers or Grunberg–Nissan blending equations. The Roegiers equation works especially well for systems showing large deviation from ideal behaviour.
Elektrionised vegetable oils can be used as mild solvency improvers for non‐conventional base oils produced by hydrocracking and isodewaxing technology or through gas‐to‐liquid conversion, Elektrion C (Elektrion s.a., Bruxelles, Belgium) being a more potent solvency improver than Elektrion R.
Elektrionised vegetable oils demonstrate good seal compatibility in combination with various mineral basestocks. Copyright © 2011 John Wiley & Sons, Ltd.