bluuebunny/crossref_metadata_2025 huggingface dataset:
Integration of hydrological and economic approaches to water and land management in Mediterranean climates: an initial case study in agriculture
Authors: Bielsa J. , Cazcarro I. , Sancho Y.
Published: December 2011

A distinction is commonly drawn in Hydrology between ‘green’ and ‘blue water’ in accounting for total water availability in semi-arid regions. The criterion underlying this classification is important for successful water management, because it reveals how much natural water is and/or could be used by households, industry and, especially, agriculture. The relative share of green and blue water is generally treated as a constant. In recent years, a growing hydro-geological literature has focused on a phenomenon that significantly affects the stability of the green/blue water ratio. This is the increase in land cover density and its impact on runoff in regions with a Mediterranean climate, such as the Ebro Basin in Spain. We seek to carry this knowledge over into the parameters of disciplines concerned with the economic valuation of water and territorial resources, and translate it into the language used by water management professionals in the expectation that this contribution will improve the way we assess and account for real water availability. The heart of the matter is that the increasing density of forest cover produces both positive and negative environmental and economic impacts, presenting new economic and environmental problems that must be examined and assessed in a hydrological-economic context. We will show that these positive and negative effects are sufficiently important to merit attention, whether they are measured in physical or economic terms. Finally, we make an initial proposal for the economic valuation of some of the effects produced by these hydrological changes.
Emerging Targeted Therapies for Lymphoid Malignancies
Authors: Pozdnyakova Olga , Kutok Jeffery L. , Rodig Scott J.
Published: December 2011

Context.—Our understanding of molecular events in the pathogenesis of hematologic malignancies has evolved substantially. The research data gathered in the past 3 decades have led to the definition of neoplastic disorders based on specific genetic and molecular alterations, which is reflected in the current World Health Organization's classification of tumors of hematopoietic and lymphoid tissues. Moreover, there have been dramatic successes in the development and implementation of therapies that specifically target the proteins and signaling cascades affected by tumor-specific genetic alterations.

Objective.—To review the development of select, novel therapies for lymphoid malignancies.

Data Sources.—We examine examples from the recent literature in targeting 4 major regulatory pathways: tyrosine kinase activation, transcription factor activity, apoptotic signaling, and histone acetylation in both preclinical models and early-stage (stage 1 and 2) clinical trials.

Conclusion.—Given the successes of novel compounds that target signaling pathways critical to the growth and survival of lymphoid tumor cells, the routine clinical use of molecularly targeted therapies for the treatment of lymphoid malignancies is likely in the near future.
Mesoporous Co3O4 and CoO@C Topotactically Transformed from Chrysanthemum‐like Co(CO3)0.5(OH)·0.11H2O and Their Lithium‐Storage Properties
Authors: Xiong Shenglin , Chen Jun Song , Lou Xiong Wen , Zeng Hua Chun
Published: December 2011

In this work, a novel hydrothermal route is developed to synthesize cobalt carbonate hydroxide, Co(CO3)0.5(OH)·0.11H2O. In this method, sodium chloride salt is utilized to organize single‐crystalline nanowires into a chrysanthemum‐like hierarchical assembly. The morphological evolution process of this organized product is investigated by examining different reaction intermediates during the synthesis. The growth and thus the final assembly of the Co(CO3)0.5(OH)·0.11H2O can be finely tuned by selecting preparative parameters, such as the molar ratio of the starting chemicals, the additives, the reaction time and the temperature. Using the flower‐like Co(CO3)0.5(OH)·0.11H2O as a solid precursor, quasi‐single‐crystalline mesoporous Co3O4 nanowire arrays are prepared via thermal decomposition in air. Furthermore, carbon can be added onto the spinel oxide by a chemical‐vapor‐deposition method using acetylene, which leads to the generation of carbon‐sheathed CoO nanowire arrays (CoO@C). Through comparing and analyzing the crystal structures, the resultant products and their high crystallinity can be explained by a sequential topotactic transformation of the respective precursors. The electrochemical performances of the typical cobalt oxide products are also evaluated. It is demonstrated that tuning of the surface texture and the pore size of the Co3O4 products is very important in lithium‐ion‐battery applications. The carbon‐decorated CoO nanowire arrays exhibit an excellent cyclic performance with nearly 100% capacity retention in a testing range of 70 cycles. Therefore, this CoO@C nanocomposite can be considered to be an attractive candidate as an anode material for further investigation.
Acute myeloid leukemia: 2012 update on diagnosis, risk stratification, and management
Authors: Estey Elihu H.
Published: December 2011

Disease Overview: Acute myeloid leukemia (AML) results from accumulation of abnormal immature cells in the marrow. These cells interfere with normal hematopoiesis can escape into the blood and infiltrate lung and CNS. The most common cause of death is bone marrow failure. It is likely that many different mutations and/or epigenetic aberrations can produce the same disease, with these differences responsible for the very variable response to therapy, which is AML's principal clinical feature.

Diagnosis: This rests on demonstration that the marrow or blood has >20% blasts of myeloid lineage. Blast lineage is assessed by multiparameter flow cytometry with CD33 and CD13 being surface markers typically expressed by myeloid blasts. It should be realized that clinical/prognostic considerations, not the blast % per se, should be the main factor determining how a patient is treated.

Risk stratification: Two features determine risk: the probability of treatment‐related mortality (TRM) and, more important, even in patients aged >75 with Zubrod performance status 1, the probability of resistance to standard therapy despite not incurring TRM. The chief predictor of resistance is cytogenetics with a monosomal karyotype (MK) denoting the disease is essentially incurable with standard therapy even if followed by a standard allogeneic transplant (HCT). The most common cytogenetic finding is a normal karyotype (NK) and those of such patients with an NPM1 mutation but no FLT3 internal tandem duplication (ITD), or with a CEBPA mutation, have a prognosis similar to that of patients with the most favorable cytogenetics [inv(16) or t(8;21)] (60–70% cure rate). In contrast, NK patients with a FLT3 ITD have only a 30–40% chance of cure even after HCT. Accordingly analyses of NPM1, FLT3, and CEBPA should be part of routine evaluation, much as is cytogenetics. Risk is best assessed considering several variables simultaneously rather than, for example, only age.

Risk‐adapted therapy: Patients with inv(16) or t(8;21) or who are NPM1+/FLT3ITD− can receive standard therapy (daunorubicin + cytarabine) and should not receive HCT in first CR. It seems likely that use of a daily daunorubicin dose of 90 mg/m2 will further improve outcome in these patients. There appears no reason to use doses of cytarabine > 1 g/m2 (for example, bid × 6 days), as opposed to the more commonly used 3 g/m2. Patients with an unfavorable karyotype (particularly MK) are unlikely to benefit from standard therapy (even with dose escalation) and are thus prime candidates for clinical trials of new drugs or new approaches to HCT; the latter should be done in first CR. Patients with intermediate prognoses (for example, NK and NPM and FLT3ITD negative) should also receive HCT in first CR and can plausibly receive either investigational or standard induction therapy, with the same prognostic information about standard therapy leading one patient to choose the standard and another an investigational option. Am. J. Hematol. 87:90–99, 2012. © 2011 Wiley Periodicals, Inc.
Advantages of the Enhanced Opposite Direction Searching Algorithm for Computing the Centroid of An Interval Type‐2 Fuzzy Set
Authors: Hu Huaizhong , Wang Yong , Cai Yuanli
Published: December 2011

Computing the centroid of an interval type‐2 fuzzy set (IT2 FS) is an important operation in a type‐2 fuzzy logic system (where it is called type‐reduction), but it is also a potentially time‐consuming operation. In this paper, an enhanced opposite direction searching (EODS) algorithm is presented for doing this. The EODS comes from an early version of the IT2 FS type‐reduction method called the opposite direction searching (ODS) algorithm, which has been proven faster than the most commonly used Enhanced Karnik‐Mendel (EKM) method. The EODS differs from the ODS in two high speed formulas for calculating the centroid endings. Quantitative analysis on the mathematical operations and comparisons performed by EODS, ODS, and EKM algorithms shows that EODS could save about 50% of the calculations and comparisons in relation to ODS. Compared with EKM, it could save about 67% to 80% of the calculations and comparisons. Simulation experiments have been performed to compare EODS with the ODS and EKM methods in terms of average CPU time. The experimental results validate the quantitative analysis.
Determination of the Nanoparticle Size Distribution in Media by Turbidimetric Measurements
Authors: Guschin V. , Becker W. , Eisenreich N. , Bendfeld A.
Published: December 2011

For incorporation of nanoparticles into matrices, it is necessary to control the particle size distribution during processing. In this paper, a turbidimetric method was applied that uses spectroscopic data to determine the nanoparticle size distribution and, consequently, to control the material properties with a non‐contact measurement method. This method is based on the scattering and absorption of light by the particles. Unlike conventional turbidimetric methods, this method uses not only a few wavelengths but a whole spectral range for evaluation. To determine the distribution parameters, a nonlinear numerical least squares fit routine was established. It was validated by comparing data of water‐silica nanosuspensions with the results from the sedimentation method. The results show that this method is an accurate and easy‐to‐use analysis instrument for the characterization of nanosuspensions, emulsions, and aerosols.
Total Synthesis of a Glycosylphosphatidylinositol Anchor of the Human Lymphocyte CD52 Antigen
Authors: Burgula Srinivas , Swarts Benjamin M. , Guo Zhongwu
Published: December 2011

The first total synthesis of a glycosylphosphatidylinositol (GPI) anchor bearing a polyunsaturated arachidonoyl fatty acid is reported. This lipid is found in mammalian GPIs that do not undergo lipid remodeling, a process that has important implications in the localization and function of GPI‐anchored proteins. Incorporation of the oxidation‐ and reduction‐sensitive arachidonoyl lipid in the target GPI was accomplished by using the para‐methoxybenzyl (PMB) group for permanent hydroxyl group protection, which featured a selective, rapid, and efficient global deprotection protocol. The flexibility of this synthetic strategy was further highlighted by the inclusion of two additional GPI core structural modifications present in the GPI anchor of the human lymphocyte CD52 antigen.
Reevaluation of Copper(I) Affinity for Amyloid‐β Peptides by Competition with Ferrozine—An Unusual Copper(I) Indicator
Authors: Alies Bruno , Badei Bertrand , Faller Peter , Hureau Christelle
Published: December 2011

The association constant of ferrozine (5,6‐diphenyl‐3‐(2‐pyridyl)‐1,2,4‐triazine‐4,4′′‐disulfonic acid) with CuI to form the chromophoric [CuI(Fz)2]3− complex was determined by UV/Vis titration experiments in Hepes buffer (0.1 m, pH 7.4). An association constant close to 1012 M−2, which is significantly weaker than those of the well‐known, water‐soluble, CuI chelators bicinchoninic acid and 2,9‐dimethyl‐4,7‐diphenyl‐1,10‐phenantroline disulfonic acid, was found. The [CuI(Fz)2]3− chromophore was used in UV/Vis competition experiments to determine CuI binding affinity for the amyloid‐β peptide involved in Alzheimer’s disease and for a series of pertinent mutants. An association constant of approximately 107 M−1 was found; this is much weaker than that reported for dithiothreitol and confirms that imidazoles are harder ligands than thiolates. Each His mutation (H6A, H13A, and H14A) impacts the peptide affinity for CuI. The native human amyloid‐β peptide was found to be a fourfold‐stronger CuI ligand than the murine peptide, which differs by three point mutations (R5G, Y10F, and H13R) from the human one.
On the design of multiband transmission functions synthesized by one wave digital lattice structure
Authors: Yaseen M.
Published: December 2011

In this contribution, the design of multiband transmission functions is considered. Independent and arbitrary number of bands can be designed. Moreover, the whole transmission function is synthesized by one wave digital lattice structure. The approximation process starts by extracting the scattering matrix properties of multiband reference lattice structures. Consequently, the approximation problem reduces to generating a polynomial Q of degree n, which is the degree of the filter. The degree n is depending on the number of the designed bands. Hence, if the number of bands is even, n will be odd, and if the number of bands is odd, n will be even. The polynomial Q will approximate the difference phase function of the two branch polynomials. It is composed of two subpolynomials, one of them is Hurwitz and the other is anti‐Hurwitz. The degrees of these subpolynomials differ by odd number if the number of bands is even and differ by even number if the number of bands is odd. Q is generated according to iterative interpolation and using explicit recursive formulas. After obtaining Q, the two subpolynomials are calculated and the two branch all‐pass functions are constructed. Consequently, the filter is synthesized in the digital frequency domain. The method is applied through an illustrative example. Copyright © 2011 John Wiley & Sons, Ltd.
Synthesis and Structural Characterization of Pincer Pyridine Diphosphite Complexes of Rhodium and Iridium
Authors: Rubio Miguel , Suárez Andrés , Vega Esmeralda , Álvarez Eleuterio , Díez Josefina , Gamasa M. Pilar , Pizzano Antonio
Published: December 2011

The synthesis of a novel pyridine diphosphite ligand 1 has been described. From this ligand, rhodium– and iridium–chlorido complexes of formula [MCl(1)] (M = Rh, Ir) have been prepared. Chloride abstraction by treatment with NaBPh4 and a phosphane produced the corresponding cationic phosphane derivatives [M(1)L][BPh4] [L = PPh3 (Rh, Ir), PPh2Me (Ir)]. The analogous reaction of [RhCl(1)] with CNXy (Xy = 2,6‐Me2‐C6H3) and NaBPh4 yielded the monosubstituted complex [Rh(1)(CNXy)][BPh4], whereas the reaction between [IrCl(1)] and isonitriles led to the disubstituted complexes [Ir(1)(L)2][BPh4] (L = CNBn, CNCy). Ethylene compound [Rh(1)(C2H4)][BPh4] was obtained from the reaction of [RhCl(1)] with NaBPh4 under ethylene, whereas [Ir(1)(C2H4)][BPh4] was synthesized by a treatment of [{IrCl(COE)2}2] with ethylene followed by addition of 1 and NaBPh4. An IR analysis of the isocyanide complexes indicates a very poor π‐donor ability of the [M(1)]+ fragment, therefore the isocyanide metal bond is mostly due to σ donation from the isocyanide. Characterization by X‐ray crystallography of [Rh(1)(PPh3)][BPh4], [Rh(1)(MeCN)][BPh4] and [Ir(1)(PPh2Me)][BPh4] displays a square‐planar structure with ligand 1 coordinated in a pincer fashion for these complexes. In addition, the ethylene derivative [Rh(1)(C2H4)][BPh4] shows a near in‐plane conformation of the ethylene ligand, with a short C–C distance (1.319 Å). Moreover, in all the structures, the diphosphite ligand exhibits a meso conformation irrespective of the size of the neutral ancillary ligand. An examination of the behaviour of some of these complexes in catalytic hydrogenation has shown that [IrCl(1)] is an active catalyst in the reduction of 2‐methylquinoline and 2‐methylquinoxaline.
Homochiral, Supramolecular Frameworks Built from a Zinc(II) Tetramer or Cadmium(II) Dimer Containing Enantiopure Carboxylate Ligands Functionalized with a Strong π···π Stacking Synthon
Authors: Reger Daniel L. , Debreczeni Agota , Smith Mark D.
Published: December 2011

The enantiopure ligand (S)‐2‐(1,8‐naphthalimido)propanoate (Lala–) forms a tetrameric zinc(II) complex [Zn4(Lala)6(OH)2(MeOH)4]·3(CH2Cl2)·2(MeOH) (1) and a dimeric cadmium(II) complex [Cd2(Lala)4(DMF)3(MeOH)] (2). Bridging κ2‐carboxylate and hydroxide ligands link the four zinc centers in 1. The strong π···π‐stacking 1,8‐naphthalimide supramolecular synthons organize the tetramers into a 3D architecture that contains linked, homochiral helical chains. In the structure, each chain is connected to four other chains by the π···π‐stacking interactions of the naphthalimide rings. The structure is open with two types of channels filled with ordered and disordered solvent molecules. The two cadmium centers in 2 are linked by two κ2‐carboxylate ligands. The π···π‐stacking interactions of the naphthalimide rings organize the structure into 2D sheets, which lack complex chiral features. The naphthalimide rings in these d10 metal complexes promote blue (1) and green (2) emission in the solid state.
The Solution Structure and Dynamics of MRI Probes Based on Lanthanide(III) DOTA as Investigated by DFT and NMR Spectroscopy
Authors: Platas‐Iglesias Carlos
Published: December 2011

Paramagnetic lanthanide(III) complexes stable in aqueous solutions have gained increasing interest in the recent years due to their importance as contrast agents in magnetic resonance imaging (MRI). Lanthanide(III) complexes with macrocyclic ligands derived from 1,4,7,10‐tetraazacyclododecane (cyclen) are widely used for the design of MRI probes because of their high thermodynamic stability and kinetic inertness. The rational design of more efficient contrast agents requires a better understanding of the structure and dynamics of these systems in solution. This contribution reviews the work of the author and his collaborators on the solution structure and dynamics of lanthanide(III) complexes with different cyclen‐based ligands and closely related systems. DFT calculations provide molecular geometries and relative energies of the different stereoisomers of these complexes in good agreement with the experimental data. The conformational analysis performed with the aid of density functional theory (DFT) calculations was validated with the investigation of the YbIII‐induced 1H NMR paramagnetic shifts, which encode information on the position of the observed NMR nuclei with respect to the LnIII ion. Additionally, DFT calculations provide a better understanding of the dynamic processes responsible for the interconversion between the square‐antiprismatic (SAP) and twisted‐square‐antiprismatic (TSAP) isomers of these complexes in solution, which might proceed through the inversion of the cyclen unit or the rotation of the pendant arms. The activation barriers obtained from theoretical calculations show a good agreement with the experimental values obtained from variable‐temperature NMR spectroscopy. The work presented in this paper shows that DFT calculations in combination with NMR spectroscopy provide detailed information on the structure and dynamics of lanthanide(III) complexes at the molecular level and represent a powerful tool for the characterization of lanthanide(III) complexes relevant to the field of MRI contrast agents.
Synthesis of Fluorinated Ketoheptoses as Specific Diagnostic Agents
Authors: Waschke Daniel , Leshch Yevgeniy , Thimm Julian , Himmelreich Uwe , Thiem Joachim
Published: December 2011

The straightforward syntheses of six regioisomeric mono‐ and difluorinated D‐manno‐heptulose and Kamusol analogues, which use electrophilic or nucleophilic fluorinaton, are reported. D‐manno‐Heptulose shows attractive pharmacological properties in vivo, such as antitumour activity, as well as binding to and accumulating in pancreatic beta cells to induce hyperglycemia. The synthesised analogues represent promising probes for the detection and quantification of beta cells in vivo by 19F MRI techniques, which could help to investigate disease progression. In addition, they are potential candidates for the inhibition of tumour growth.
Discriminatory peer aggression among children as a function of minority status and group proportion in school context
Authors: Durkin Kevin , Hunter Simon , Levin Kate A. , Bergin Dermot , Heim Derek , Howe Christine
Published: December 2011

This study investigates discriminatory peer aggression among primary school aged children as a function of minority status (based on nationality, ethnicity, religion) of the target and the relative proportions of minority and majority children in the school. Participants were 925 8‐ to 12‐year‐olds attending schools in Britain. Children of minority status were no more likely than children of majority background to experience peer aggression in general. However, minority children were more likely to experience being the victims of discriminatory aggression. Two contrasting predictions were tested: that discriminatory aggression would be more likely when the minority group was relatively small in number or, alternatively, that as the proportions of children of minority backgrounds increased across schools, discriminatory aggression would be greater. The latter hypothesis was supported. Findings also revealed that in schools with a lower minority presence, discriminatory aggression experienced by majority children was significantly lower than that reported by minority children. When the school minority rate exceeded 81%, discriminatory aggression was more commonly experienced among majority children than among minority children. Copyright © 2011 John Wiley & Sons, Ltd.
Molecular and microscopic assessment of the effects of caffeine, acetaminophen, diclofenac, and their mixtures on river biofilm communities
Authors: Lawrence John R. , Zhu Bin , Swerhone George D.W. , Roy Julie , Tumber Vijay , Waiser Marley J. , Topp Ed , Korber Darren R.
Published: December 2011

The authors examined effects of three common contaminants, caffeine (CF), acetaminophen (AC), and diclofenac (DF), as well as their mixtures on the development, functioning, and biodiversity of river biofilm communities. Biofilms were cultivated in rotating annular reactors. Treatments included AC, CF, DF, AC + CF, AC + DF, CF + DF, AC + CF + DF at 5 µg/L, and their molar equivalent as carbon and nutrients. Incubations using 14C-labeled AC, DF, and CF indicated that 90% of the CF, 80% of the AC, and less than 2% of the DF were converted to CO2. Digital imaging revealed a variety of effects on algal, cyanobacterial, and bacterial biomass. Algal biomass was unaffected by AC or CF in combination with DF but significantly reduced by all other treatments. Cyanobacterial biomass was influenced only by the AC + DF application. All treatments other than AC resulted in a significant decrease in bacterial biomass. Diclofenac or DF + CF and DF + AC resulted in increases in micrometazoan grazing. The denaturing gradient gel electrophoresis of Eubacterial community DNA, evaluated by principal component analysis and analysis of similarity, indicated that relative to the control, all treatments had effects on microbial community structure (r = 0.47, p < 0.001). However, the AC + CF + DF treatment was not significantly different from its molar equivalent carbon and nutrient additions. The Archaeal community differed significantly in its response to these exposures based on community analyses, confirming a need to integrate these organisms into ecotoxicological studies. Environ. Toxicol. Chem. 2012;31:508–517. © 2011 SETAC
Humic acid-mediated transport of tetracycline and pyrene in saturated porous media
Authors: Zhang Lunliang , Zhu Dongqiang , Wang He , Hou Lei , Chen Wei
Published: December 2011

The authors observed that humic acid (HA) mediates transport of tetracycline and pyrene in saturated porous media via distinctively different mechanisms. The presence of HA (20–80 mg C/L) in the influent consistently enhances the transport of tetracycline, whereas for pyrene a critical HA concentration exists (about 10 mg C/L), below which transport is inhibited but above which transport is enhanced. The difference in the HA effect stems from the difference in relative sorption affinity to HA and sand between these two compounds. Because sorption of pyrene is driven primarily by hydrophobic effect, pyrene exhibits much stronger sorption to HA than on sand. Accordingly, pyrene in the influent (or mobile phase) is predominantly associated with HA, and its transport is controlled by the partition of HA between mobile phase and sand. For the polar, ionic, and highly hydrophilic tetracycline, sorption is driven mainly by surface complexation and ligand exchange, so tetracycline exhibits relatively strong adsorption on sand, but has much weaker sorption to HA than pyrene does. For tetracycline, the effect of HA on transport is likely the competition of HA for the available adsorption sites on sand. In addition, tetracycline and pyrene exhibit markedly different breakthrough profiles, both in the presence and in the absence of HA; this can be attributed to the greater degree of adsorption nonequilibrium of tetracycline on sand. Environ. Toxicol. Chem. 2012;31:534–541. © 2011 SETAC
Deposition and accumulation of airborne organic contaminants in Yosemite National Park, California
Authors: Mast M. Alisa , Alvarez David A. , Zaugg Steven D.
Published: December 2011

Deposition and accumulation of airborne organic contaminants in Yosemite National Park were examined by sampling atmospheric deposition, lichen, zooplankton, and lake sediment at different elevations. Passive samplers were deployed in high-elevation lakes to estimate surface-water concentrations. Detected compounds included current-use pesticides chlorpyrifos, dacthal, and endosulfans and legacy compounds chlordane, dichlorodiphenyltrichloroethane-related compounds, dieldrin, hexachlorobenzene, and polychlorinated biphenyls. Concentrations in snow were similar among sites and showed little variation with elevation. Endosulfan concentrations in summer rain appeared to coincide with application rates in the San Joaquin Valley. More than 70% of annual pesticide inputs from atmospheric deposition occurred during the winter, largely because most precipitation falls as snow. Endosulfan and chlordane concentrations in lichen increased with elevation, indicating that mountain cold-trapping might be an important control on accumulation of these compounds. By contrast, chlorpyrifos concentrations were inversely correlated with elevation, indicating that distance from source areas was the dominant control. Sediment concentrations were inversely correlated with elevation, possibly because of the organic carbon content of sediments but also perhaps the greater mobility of organic contaminants at lower elevations. Surface-water concentrations inferred from passive samplers were at sub–parts-per-trillion concentrations, indicating minimal exposure to aquatic organisms from the water column. Concentrations in sediment generally were low, except for dichlorodiphenyldichloroethane in Tenaya Lake, which exceeded sediment guidelines for protection of benthic organisms. Environ. Toxicol. Chem. 2012;31:524–533. © 2011 SETAC
Effects of a glucocorticoid receptor agonist, dexamethasone, on fathead minnow reproduction, growth, and development
Authors: LaLone Carlie A. , Villeneuve Daniel L. , Olmstead Allen W. , Medlock Elizabeth K. , Kahl Michael D. , Jensen Kathleen M. , Durhan Elizabeth J. , Makynen Elizabeth A. , Blanksma Chad A. , Cavallin Jenna E. , Thomas Linnea M. , Seidl Sara M. , Skolness Sarah Y. , Wehmas Leah C. , Johnson Rodney D. , Ankley Gerald T.
Published: December 2011

Synthetic glucocorticoids are pharmaceutical compounds prescribed in human and veterinary medicine as anti-inflammatory agents and have the potential to contaminate natural watersheds via inputs from wastewater treatment facilities and confined animal-feeding operations. Despite this, few studies have examined the effects of this class of chemicals on aquatic vertebrates. To generate data to assess potential risk to the aquatic environment, we used fathead minnow 21-d reproduction and 29-d embryo–larvae assays to determine reproductive toxicity and early-life-stage effects of dexamethasone. Exposure to 500 µg dexamethasone/L in the 21-d test caused reductions in fathead minnow fecundity and female plasma estradiol concentrations and increased the occurrence of abnormally hatched fry. Female fish exposed to 500 µg dexamethasone/L also displayed a significant increase in plasma vitellogenin protein levels, possibly because of decreased spawning. A decrease in vitellogenin messenger ribonucleic acid (mRNA) expression in liver tissue from females exposed to the high dexamethasone concentration lends support to this hypothesis. Histological results indicate that a 29-d embryo–larval exposure to 500 µg dexamethasone/L caused a significant increase in deformed gill opercula. Fry exposed to 500 µg dexamethasone/L for 29 d also exhibited a significant reduction in weight and length compared with control fry. Taken together, these results indicate that nonlethal concentrations of a model glucocorticoid receptor agonist can impair fish reproduction, growth, and development. Environ. Toxicol. Chem. 2012;31:611–622. © 2011 SETAC
Food chain model based on field data to predict westslope cutthroat trout (Oncorhynchus clarkii lewisi) ovary selenium concentrations from water selenium concentrations in the Elk Valley, British Columbia
Authors: Orr P. L. , Wiramanaden C. I. E. , Paine M. D. , Franklin W. , Fraser C.
Published: December 2011

Previous studies conducted in the Elk River watershed showed that selenium concentrations are higher in aquatic biota in lentic compared to lotic habitats of the system having similar water selenium concentrations. Studies have also shown that water selenium concentrations have increased over time (∼10% per year) and recent annual average concentrations have ranged up to 0.044 mg/L in areas downstream from mine discharges. For the present study, trophic transfer of selenium was characterized in lotic versus lentic habitats using concentrations measured in field-collected samples and assuming a three-step food chain of water to the base of the food web (biofilm), to benthic invertebrates, and then to westslope cutthroat trout (WCT) ovaries. Food chain models were developed for each habitat type (lotic and lentic) by combining linear regression equations for the three transfer relationships, allowing for prediction of fish ovary concentrations from water concentrations. Greater accumulation of selenium in lentic areas was mostly attributable to greater uptake at the base of the food chain compared to lotic areas. Enrichment/trophic transfer factors for selenium at all levels of the lotic and lentic food chains decreased and then became near constant as exposure concentrations increased. The lotic model predicted little increase in WCT ovary selenium concentrations over an eightfold increase in water concentrations (∼0.005–0.040 mg/L), accounting for the lack of observed increase in within-area fish tissue concentrations over time despite increasing trends in water concentrations. Environ. Toxicol. Chem. 2012;31:672–680. © 2011 SETAC
Domain versus boundary computation of flow sensitivities with the continuous adjoint method for aerodynamic shape optimization problems
Authors: Lozano Carlos , Andrés Esther , Martín Mario , Bitrián Pablo
Published: December 2011

This paper considers the computation of flow sensitivities that arise in the context of design optimization. The scheme is based on the solution of a continuous adjoint problem, for which two complementary, although analytically equivalent, approaches have been routinely used for some time now, yielding expressions for the sensitivities that contain, respectively, boundary and domain integrals. These concepts are clarified in a unified framework and their equivalence at the continuous level is demonstrated through appropriate algebraic manipulations. Equivalence at the discrete level is assessed through numerical testing for various aerodynamic shape‐optimization problems. Copyright © 2011 John Wiley & Sons, Ltd.
The influence of investment in workplace learning on learning outcomes and organizational performance
Authors: Park Yoonhee , Jacobs Ronald L.
Published: December 2011

Although the importance of workplace learning has been recognized in research and practice, there is little empirical support that describes how workplace learning, including both formal and informal learning, is linked to organizational performance. This study investigated the influence of investment in workplace learning on learning outcomes and organizational performance using the 2005 and 2007 Human Capital Corporate Panel survey of South Korean companies. The data were analyzed using structural equation modeling. The study found that investment in workplace learning influences organizational performance through the outcomes of workplace learning. Implications for human resource development research and practice are discussed.
Women of color in science, technology, engineering, and mathematics (STEM)
Authors: Johnson Dawn R.
Published: December 2011

Treating women as a homogeneous group obscures important racial and ethnic differences among women in STEM. This chapter focuses on the experiences of women of color in science and engineering and highlights the importance of addressing intersecting identities among women.
Scoring optimisation of unbound protein–protein docking including protein binding site predictions
Authors: Schneider Sebastian , Zacharias Martin
Published: December 2011

The prediction of the structure of the protein–protein complex is of great importance to better understand molecular recognition processes. During systematic protein–protein docking, the surface of a protein molecule is scanned for putative binding sites of a partner protein. The possibility to include external data based on either experiments or bioinformatic predictions on putative binding sites during docking has been systematically explored. The external data were included during docking with a coarse‐grained protein model and on the basis of force field weights to bias the docking search towards a predicted or known binding region. The approach was tested on a large set of protein partners in unbound conformations. The significant improvement of the docking performance was found if reliable data on the native binding sites were available. This was possible even if data for single key amino acids at a binding interface are included. In case of binding site predictions with limited accuracy, only modest improvement compared with unbiased docking was found. The optimisation of the protocol to bias the search towards predicted binding sites was found to further improve the docking performance resulting in approximately 40% acceptable solutions within the top 10 docking predictions compared with 22% in case of unbiased docking of unbound protein structures. Copyright © 2011 John Wiley & Sons, Ltd.
Chemotaxis induced by SXWS tetrapeptides in Tetrahymena—overlapping chemotactic effects of SXWS sequences and their identical amino acids
Authors: Láng Orsolya , Illyés Eszter , Menyhárd Dóra K , Láng Júlia , Sebestyén Ferenc , Hudecz Ferenc , Kőhidai László
Published: December 2011

The chemotactic potential of SXWS peptides and the components of the extracellular domain of cytokine receptors were investigated in Tetrahymena as a functional index of substitution with different amino acids in the position ‘X’ of the tetrapeptide. Data obtained demonstrate that position X plays a special determining role in the ligand, SEWS and STWS possess extremely strong chemoattractant ability, and aromatic amino acids result in chemorepellent ligands. Diverse effects of structurally related molecules, for example, SNWS–SDWS, demonstrate a highly sensitive discrimination potential in the applied model system. Physicochemical characteristics (hydropathy, residue size, and solvent‐exposed area) of the amino acids were correlated with the chemotactic activity. Data obtained by computer‐assisted conformation analysis of SXWS peptides and the highly overlapping chemotactic effects of the investigated SXWS peptides as well as the presence of the amino acids in the ‘X’ position indicate that member ‘X’ of the SXWS sequence performs a special role in interactions with the chemotaxis receptors in the membrane. Copyright © 2011 John Wiley & Sons, Ltd.
15N and 13C{14N} NMR investigation of the major nitrogen‐containing segment in an aquatic fulvic acid: Evidence for a hydantoin derivative
Authors: Fang Xiaowen , Mao Jingdong , Cory Rose M. , McKnight Diane M. , Schmidt‐Rohr Klaus
Published: December 2011

A nitrogen‐rich segment in a fulvic acid (FA) from Pony Lake, a coastal pond in Antarctica, was investigated by 15 N and 13 C{14N} solid‐state NMR techniques. As reported previously, the 13C{14N} spectrum of C bonded to N exhibits a peak at 157 ppm that is assigned to an sp2‐hybridized carbon bonded to at least two nitrogen atoms. This segment contains 48% of all N in the sample. 15 N NMR shows distinct signals, 20 ppm upfield and downfield from the typical peptide resonance; dipolar dephasing confirmed that they are due to protonated N. The well‐resolved downfield peak, which accounts for 1/4 of the spectral area, cannot be assigned to aromatic heterocycles, such as purines, because the fraction of aromatic C bonded to N in this sample is very small. Analysis of 15 N chemical‐shift trends and 15N NMR of model compounds, such as arginine and its derivatives, excludes assignment to a guanidinium ion or to substituted guanidino groups. Similarly, ureido groups, –NH–CO–NH–, that are not bonded to a second C = O do not match the observed 15N peaks in the FA, since both N resonate upfield from the peptide resonance. On the other hand, all chemical shifts are matched within the observed range by the –Calkyl–NH–CO–NH–CO–C structure found in two nonaromatic heterocycles, hydantoin and dihydrouracil. The five‐membered hydantoin ring, which is found in the purine metabolite allantoin, provides a better match than the six‐membered dihydrouracil ring. Regular uracil or thymine fails to produce adequate agreement with observed chemical shifts. Copyright © 2011 John Wiley & Sons, Ltd.
Fast macromolecular proton fraction mapping from a single off‐resonance magnetization transfer measurement
Authors: Yarnykh Vasily L.
Published: December 2011

A new method was developed for fast quantitative mapping of the macromolecular proton fraction defined within the two‐pool model of magnetization transfer. The method utilizes a single image with off‐resonance saturation, a reference image for data normalization, and T1, B0, and B1 maps with the total acquisition time ∼10 min for whole‐brain imaging. Macromolecular proton fraction maps are reconstructed by iterative solution of the matrix pulsed magnetization transfer equation with constrained values of other model parameters. Theoretical error model describing the variance due to noise and the bias due to deviations of constrained parameters from their actual values was formulated based on error propagation rules. The method was validated by comparison with the conventional multiparameter multipoint fit of the pulsed magnetization transfer model based on data from two healthy subjects and two multiple sclerosis patients. It was demonstrated theoretically and experimentally that accuracy of the method depends on the offset frequency and flip angle of the saturation pulse, and optimal ranges of these parameters are 4–7 kHz and 600°–900°, respectively. At optimal sampling conditions, the single‐point method enables <10% relative macromolecular proton fraction errors. Comparison with the multiparameter fitting method revealed very good agreement with no significant bias and limits of agreement around ±0.7%. Magn Reson Med, 2012. © 2011 Wiley Periodicals, Inc.
A penalty method for numerically handling dispersive equations with incompatible initial and boundary data
Authors: Flyer Natasha , Qin Zhen , Temam Roger
Published: December 2011

This article is the numerical counterpart of a theoretical work in progress Qin and Teman, Applicable Anal (2011), 1–19, related to the approximation of evolution hyperbolic equations with incompatible data. The Korteweg‐de Vries and Schrödinger equations with incompatible initial and boundary data are considered here. For hyperbolic equations, the lack of regularity (compatibility) is known to produce large numerical errors which propagate throughout the spatial domain, destroying convergence. In this article, we numerically test the effectiveness of the penalty‐based method proposed in Qin and Teman, Applicable Anal (2011), 1–19, which replaces the hyperbolic equations with incompatible data by a system with compatible data. We observe that convergence is increased. As explained in the text, in the case of the Schrödinger equation, the impact of incompatible (nonregular) data is most severe, and the authors are not aware of any other method that can handle such severe incompatible data. © 2011 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 2011
Excess activated sludge reduction by using electromagnets and ferrite particles
Authors: Kabir Mahmudul , Suzuki Masafumi , Yoshimura Noboru
Published: December 2011

Every year, the ratio of the sewarage treatment to population is increasing in Japan. Expansion in sewer networks is leading to the production of excess sludge which is one of the major problems in wastewater treatment plants. There are several approaches to treat the excess activated sludge. A new approach is to reduce excess sludge production by using magneto‐ferrite treatment. The Suzuki Lab of Akita University, Japan, is working on this project. We have succeeded in using magneto‐ferrite treatment in the lab scale to reduce sludge production. Ferrite particles and magnets are used in this method. Ferrite particles are nontoxic and safe for biological systems. They can be easily separated from the sludge by using magnets. However, the movement of the ferrite particles in the sludge is controlled by permanent magnets which can be made more effective by changing to electromagnets. In this paper, we describe an approach to use electromagnets instead of permanent magnets. Electromagnets can be controlled easily with an AC power supply. The results of our experiments have shown a good possibility for reduction of excess sludge. © 2011 Institute of Electrical Engineers of Japan. Published by John Wiley & Sons, Inc.
Strategies for dephenolization of raw olive mill wastewater by means of Pleurotus ostreatus
Authors: Olivieri Giuseppe , Russo Maria Elena , Giardina Paola , Marzocchella Antonio , Sannia Giovanni , Salatino Piero
Published: December 2011

The reduction of polyphenols content in olive mill wastewater (OMW) is a major issue in olive oil manufacturing. Although researchers have pointed out the potential of white-rot fungus in dephenolizing OMW, the results available in the literature mainly concern pretreated (sterilized) OMW. This paper deals with the reduction of polyphenols content in untreated OMW by means of a white-rot fungus, Pleurotus ostreatus. Dephenolization was performed both in an airlift bioreactor and in aerated flasks. The process was carried out under controlled non-sterile conditions, with different operating configurations (batch, continuous, biomass recycling) representative of potential industrial operations. Total organic carbon, polyphenols concentration, phenol oxidase activity, dissolved oxygen concentration, oxygen consumption rate, and pH were measured during every run. Tests were carried out with or without added nutrients (potato starch and potato dextrose) and laccases inducers (i.e., CuSO4). OMW endogenous microorganisms were competing with P. ostreatus for oxygen during simultaneous fermentation. Dephenolization of raw OMW by P. ostreatus under single batch was as large as 70%. Dephenolization was still extensive even when biomass was recycled up to six times. OMW pre-aeration had to be provided under continuous operation to avoid oxygen consumption by endogenous microorganisms that might spoil the process. The role of laccases in the dephenolization process has been discussed. Dephenolization under batch conditions with biomass recycling and added nutrients proved to be the most effective configuration for OMW polyphenols reduction in industrial plants (42–68% for five cycles).
Immobilization of Phospholipase A1 and its Application in Soybean Oil Degumming
Authors: Yu Dianyu , Jiang Lianzhou , Li Zhenlan , Shi John , Xue Jun , Kakuda Yukio
Published: December 2011

Phospholipase A1 (PLA1), or Lecitase® Ultra, was immobilized on three different supports, calcium alginate (CA), calcium alginate‐chitosan (CAC), and calcium alginate‐gelatin (CAG), and crosslinked with glutaraldehyde. The results indicated that PLA1–CA retained 56.2% of the enzyme's initial activity, whereas PLA1–CAC and PLA1–CAG retained 65.5 and 60.2%, respectively. Compared with free PLA1, the optimal pH of immobilized PLA1 shifted to the basic side by 0.5–1.0 pH units and the pH/activity profile range was considerably broadened. Similarly, the temperature‐optima of PLA1–CAC and PLA1–CAG increased from 50 to 60 °C, and their thermal stability increased with relative activities of more than 90% that covered a wider temperature range spanning 50–65 °C. In a batch oil degumming process, the final residual phosphorus content was reduced to less than 10 mg/kg with free PLA1, PLA1–CAC and PLA1–CA in less than 5, 6 and 8 h respectively while PLA1–CAG was only able to reduce it to 15 mg/kg in 10 h. When the PLA1–CAC was applied in a plant degumming trial, the final residual phosphorus content was reduced to 9.7 mg/kg with 99.1% recovery of soybean oil. The recoveries of immobilized PLA1–CAC and activity of PLA1 were 80.2 and 78.2% respectively. Therefore, it was concluded that PLA1–CAC was the best immobilized enzyme complex for the continuous hydrolysis of phospholipids in crude vegetable oils.
Oxidative Stability of Chia (Salvia hispanica L.) Seed Oil: Effect of Antioxidants and Storage Conditions
Authors: Ixtaina Vanesa Y. , Nolasco Susana M. , Tomás Mabel C.
Published: December 2011

The oxidative stability of chia oil was evaluated by measuring the effectiveness of the addition of rosemary (ROS) and green tea (GT) extracts, tocopherols (TOC), ascorbyl palmitate (AP) and their blends, and studying the influence of storage conditions. The addition of antioxidants increased induction time, depending on their type and concentration. Considering antioxidants individually, AP at 5,000 ppm was the most effective, whereas ROS + GT at 2,500 and 5,000 ppm provided the best protection among the antioxidant blends. Chia oil peroxide values of 10 mequiv/kg was observed for oils stored at 4 °C while values greater than 10 mequiv/kg were observed between 60 and 120 days when stored at 20 °C. Only AP 2,500 ppm protected oil did not reach 10 mequiv/kg during 225 days at 4 and 20 °C. Similar trends were observed with p‐anisidine and Totox values. Differential scanning calorimetry further supported the presence of primary and secondary oxidation. Activation energy of chia oil thermoxidation was 71.9 kJ/mol increasing up to 87.5 kJ/mol when AP was added.