bluuebunny/crossref_metadata_2025 huggingface dataset:
Laboratory Evaluation of the Survival of Fish Impinged on Modified Traveling Water Screens
Authors: Black Jonathan L. , Perry Elgin S.
Published: April 2014

Traveling water screens (TWSs) modified for fish protection can be used at power plant cooling water intakes to reduce the injury to and mortality of impinged fish. Existing biological efficacy data show that postimpingement survival is highly variable by species and has improved over time as screen designs have incorporated more fish-friendly features. Data with the improved screen designs were largely absent for many freshwater species prior to this evaluation. The mortality, injury, and scale loss rates of 10 species of freshwater fish impinged and recovered with a modified Ristroph-style TWS were evaluated in a laboratory flume. Fish were impinged at a 0.3-, 0.6-, or 0.9-m/s approach velocity. Over 13,000 fish were tested in more than 100 replicates during the study. Mortality rates did not exceed 5% for any species and velocity tested. Despite a general trend toward increasing mortality at higher velocities, velocity was only a significant factor in the mortality of Bluegills Lepomis macrochirus. Injury and scale loss rates were low for most of the species tested, although they were more variable than the observed rates of mortality. There was a trend toward lower mortality, injury, and scale loss in larger fish. In all cases in which fish length was a significant factor, the pattern of decreasing mortality, injury, and scale loss as fish increased in length was consistently observed. These results indicate that TWSs modified for fish protection have the potential to prevent impingement losses at power plant intakes.

Received June 28, 2013; accepted October 25, 2013
Evaluating the Consequences of Adjusting Fish Stock Assessment Estimates of Biomass for Retrospective Patterns using Mohn's Rho
Authors: Deroba Jonathan J.
Published: April 2014

A retrospective pattern exists when estimates of some assessment parameter for a given time period (e.g., biomass in a given year) trend in a systematic way as additional periods of data (i.e., typically a year) are added. Causes of such patterns are difficult to determine, and the pattern does not necessarily indicate the direction of the parameter bias. Mohn's rho measures the severity of retrospective patterns and has been used to adjust estimates of biomass and quotas. The consequences of applying Mohn's rho rather than ignoring the pattern are unclear. I used an age-structured simulation based on Atlantic Herring Clupea harengus to evaluate the consequences of ignoring retrospective patterns versus applying Mohn's rho. When the application of Mohn's rho produced more accurate estimates of biomass, subsequent spawning stock biomass and yields were near target levels. When the use of Mohn's rho produced less-accurate estimates of biomass, the results depended on the direction of the pattern. With a positive retrospective pattern (i.e., estimates of biomass for a given year decline as additional years of data are added), the application of Mohn's rho lowered the estimates of biomass, producing little cost in long-term yield relative to the subsequent increases in biomass but resulting in a short-term cost of lower annual quotas. With a negative retrospective pattern (i.e., estimates of biomass for a given year increase as additional years of data are included), the use of Mohn's rho increased the estimates of biomass, thus generating long-term costs in yield and biomass but with a short-term benefit of higher annual quotas. The decision of whether to ignore retrospective patterns or apply Mohn's rho should depend on the direction of the pattern and the relative weight of short- and long-term fishery objectives. Performance may also depend on the shape of the control rules that are used to define annual quotas.

Received May 14, 2013; accepted January 2, 2014
Antibacterial and antioxidant activities and chemical compositions of volatile oils extracted from Schisandra chinensis Baill. seeds using simultaneous distillation extraction method, and comparison with Soxhlet and microwave-assisted extraction
Authors: Teng Hui , Lee Won Y
Published: April 2014

The volatile oils were isolated from dried Schisandra chinensis Baill. seeds by Soxhlet extraction (SE), microwave-assisted extraction (MAE), and simultaneous distillation extraction (SDE), and fractions were identified by gas chromatography–mass spectrometry (GC–MS) and high-performance liquid chromatography (HPLC). The essential oils were assessed for their antioxidant and antibacterial activities. GC–MS results also revealed that the major ingredients in the oil extracted by SDE were terpenoids compounds such as ylangene (15.01%), α-phellandrene (8.23%), β-himachalene (6.95%), and cuparene (6.74), and the oil extracts of MAE and SE mainly contained aromatics such as schizandrins, wuweizisu C, and gomisin A. HPLC analysis results confirmed that more schizandrin was obtained through extraction by MAE (996.64 μg/g) and SE (722.13 μg/g). SDE oil extract showed more significant antioxidant activity than MAE or SE oil. Only volatile oil from SDE showed good antibacterial activity against all tested strains.
Investigating the Utility of Measuring 11α-Ketotestosterone and Vitellogenin in Surface Mucus as an Alternative to Plasma Samples in Assessments of the Reproductive Axis of White Bass
Authors: Barkowski Nicholas A , Haukenes Alf H
Published: April 2014

Sex steroids and vitellogenin measured in plasma have been used in a variety of fish species to investigate the reproductive system. Surface mucus has been shown to be an effective substitute for plasma in several species of fish. The goal of this study was to investigate the utility of mucus sampling as an approach to investigating the hypothalamic–pituitary–gonadal (HPG) axis in White Bass Morone chrysops. We measured 11α-ketotestosterone and vitellogenin in both surface mucus and plasma samples from White Bass collected from a wild population during their annual spawning migration. Mucus and plasma samples were collected from male and female White Bass that were treated to stimulate the HPG axis (carp pituitary extract, 10 mg/kg; estradiol, 10 mg/kg) or treated with saline injections. Mucus and plasma concentrations of both vitellogenin and 11α-ketotestosterone were positively correlated with one another. Treatments with estradiol led to higher amounts of vitellogenin in both plasma and mucus in both male and female fish. Assessments of 11α-ketotestosterone in mucus correctly identified the sex of 90% of spawning White Bass, as did vitellogenin in 94%. These data demonstrate the potential utility of mucus sampling as a tool to less invasively assess the annual reproductive cycle, identify stimulation of the HPG axis, and identify fish sex in hatchery populations of White Bass.
Size and ATP Content of Unfertilized Eggs from Farmed and Wild Atlantic Salmon in Newfoundland
Authors: Lush Lynn , Burt Kimberley , Hamoutene Dounia , Camarillo-Sepulveda Nancy , Perez-Casanova Juan Carlos , Kenny Sharon , Goulet Pierre , Hinks Ross , Collier Clyde
Published: April 2014

In Newfoundland and Labrador (hereafter, Newfoundland), all farmed Atlantic Salmon Salmo salar originate from the Saint John River, New Brunswick, strain, raising the question of potential impacts of escapees on wild, genetically distinct stocks. Unfertilized eggs of farmed and wild salmon were assessed for diameter, mass, adenosine triphosphate (ATP) content, and fertilization success, this is the first study to assess ATP content in Atlantic Salmon eggs. Results demonstrated that farmed salmon egg mass (0.1046 g), diameter (6.2 mm), and ATP content (0.0281 nmol/egg) were significantly lower than the same characteristics in wild salmon. Among and within females, variability in egg size was similar in both wild and farmed groups. This study lends some evidence to the fact that in the Newfoundland context, eggs of escaped farmed salmon may be less likely to produce viable, large larvae compared with their wild counterparts.
Plasma Components and Hepatic Insulin-like Growth Factor Expression Indicate Nutritional Status in Yellowtail Seriola quinqueradiata
Authors: Kawanago M , Takemura S , Ishizuka R , Shioya I
Published: April 2014

We examined the effect of feeding ration and refeeding time on plasma biochemical components and hepatic insulin-like growth factor gene (IGF) mRNA expression to evaluate nutritional indicators in juvenile Yellowtail Seriola quinqueradiata (also known as Buri). Fish were fed a diet for 10 d with the following feeding rations: 80, 40, 20, and 10% satiation. Satiated feeding was 4.65% of body weight. At day 10, the plasma concentrations of albumin, calcium, inorganic phosphate, and total protein, activities of alkaline phosphatase and amylase, and hepatic IGF1 mRNA and IGF2 mRNA expression were significantly correlated with feeding ration. In the analysis of refeeding time, fish were refed after a 24-h fasting period and plasma biochemical components and hepatic IGFs mRNA were analyzed at 0, 3, 6, and 9 h after refeeding. Plasma concentrations of total bilirubin, inorganic phosphate, creatinine, glucose, and potassium, and activities of amylase were significantly correlated with refeeding time. The correlation between refeeding time and gene expression was significant for IGF2 mRNA (r = 0.70, P < 0.05) but not for IGF1 mRNA (r = 0.67, P = 0.07). Comparing the results of the two experiments, the plasma concentrations of total protein, albumin, and calcium reflected only the feeding ration. The plasma concentration of inorganic phosphate, activities of alkaline phosphatase and amylase, and hepatic IGF1 mRNA and IGF2 mRNA reflected both the feeding ration and refeeding time. These observations suggest that these components reflected the nutritional status of Yellowtail, but sampling time should be carefully examined because of the fluctuating feature of these components.
Decline in Feeding Activity of Female Cultured Delta Smelt Prior to Spawning
Authors: Hung Tien-Chieh , Eder Kai J , Javidmehr Alireza , Loge Frank J
Published: April 2014

An observed decline in feeding behavior of Delta Smelt Hypomesus transpacificus due to spawning is presented here. At three different temperatures to which examined fish acclimated (10.2, 14.1, and 18.1°C), female Delta Smelt consistently showed significantly higher stomach content than male Delta Smelt when carrying early-stage eggs. However, a significant decline of feed intake was observed in female Delta Smelt when eggs ripened and were ready for spawning. These results indicate that female Delta Smelt tend to have high food consumption at the egg development stages but change behavior as eggs ripen. Possible causes for the change in feeding behavior are discussed.
Identification of a human splenic marginal zone B cell precursor with NOTCH2-dependent differentiation properties
Authors: Descatoire Marc , Weller Sandra , Irtan Sabine , Sarnacki Sabine , Feuillard Jean , Storck Sébastien , Guiochon-Mantel Anne , Bouligand Jérôme , Morali Alain , Cohen Joseph , Jacquemin Emmanuel , Iascone Maria , Bole-Feysot Christine , Cagnard Nicolas , Weill Jean-Claude , Reynaud Claude-Agnès
Published: April 2014

Mouse splenic marginal zone precursors (MZPs) differentiate into marginal zone B (MZB) cells under a signaling pathway involving Notch2 and its ligand, delta-like 1 ligand (Dll1). We report the identification of an MZP subset in the spleen of young children. These MZPs differentiate into MZ-like B cells in vitro in the presence of OP9 cells expressing human DLL1, as demonstrated by the up-regulation of classical MZB cell markers. A set of diagnostic genes discriminating IgM+IgD+CD27+ blood and splenic MZB cells from switched B cells was identified (up-regulation of SOX7, down-regulation of TOX, COCH, and HOPX), and their expression during the induction assay mirrored the one of MZB cells. Moreover, Alagille patients with a NOTCH2 haploinsufficiency display a marked reduction of IgM+IgD+CD27+ B cells in blood, whereas their switched memory B cells are not affected. Altogether, these results argue in favor of the existence of a rodent-like MZB cell lineage in humans.
Lymphatic function is required prenatally for lung inflation at birth
Authors: Jakus Zoltán , Gleghorn Jason P. , Enis David R. , Sen Aslihan , Chia Stephanie , Liu Xi , Rawnsley David R. , Yang Yiqing , Hess Paul R. , Zou Zhiying , Yang Jisheng , Guttentag Susan H. , Nelson Celeste M. , Kahn Mark L.
Published: April 2014

Mammals must inflate their lungs and breathe within minutes of birth to survive. A key regulator of neonatal lung inflation is pulmonary surfactant, a lipoprotein complex which increases lung compliance by reducing alveolar surface tension (Morgan, 1971). Whether other developmental processes also alter lung mechanics in preparation for birth is unknown. We identify prenatal lymphatic function as an unexpected requirement for neonatal lung inflation and respiration. Mice lacking lymphatic vessels, due either to loss of the lymphangiogenic factor CCBE1 or VEGFR3 function, appear cyanotic and die shortly after birth due to failure of lung inflation. Failure of lung inflation is not due to reduced surfactant levels or altered development of the lung but is associated with an elevated wet/dry ratio consistent with edema. Embryonic studies reveal active lymphatic function in the late gestation lung, and significantly reduced total lung compliance in late gestation embryos that lack lymphatics. These findings reveal that lymphatic vascular function plays a previously unrecognized mechanical role in the developing lung that prepares it for inflation at birth. They explain respiratory failure in infants with congenital pulmonary lymphangiectasia, and suggest that inadequate late gestation lymphatic function may also contribute to respiratory failure in premature infants.
Impact of Diabetes on Survival and Right Ventricular Compensation in Pulmonary Arterial Hypertension
Authors: Benson Levi , Brittain Evan L. , Pugh Meredith E. , Austin Eric D. , Fox Kelly , Wheeler Lisa , Robbins Ivan M. , Hemnes Anna R.
Published: April 2014

Insulin resistance is highly prevalent in pulmonary arterial hypertension (PAH) patients. However, the long‐term impact of diabetes mellitus (DM) on survival in PAH is unclear. Insulin resistance and DM are associated with left ventricular steatosis and dysfunction, but whether the right ventricle (RV) might be affected by DM in PAH is unknown. We hypothesized that PAH patients with DM would have worse survival than PAH patients without DM and that this would be due to impaired RV compensation. From a large registry of PAH patients at our institution, we analyzed the effect of DM on survival in patients with idiopathic or heritable PAH. Clinical and hemodynamic differences were compared between PAH patients with DM and those without DM. Twenty‐nine patients with DM and 84 without DM were included. Gender, body mass index, PAH type and duration, and 6‐minute walk distance were similar between groups. PAH patients with DM had significantly lower survival at 10 years than PAH patients without DM. Right atrial pressure, pulmonary arterial pressure, and cardiac output did not differ significantly between the two groups. However, right ventricular stroke work index (RVSWI) was lower in the PAH DM group than in the no‐DM patients. Among PAH patients with DM, patients who died had a lower RVSWI than survivors. In conclusion, survival in PAH patients with DM was reduced compared to that of patients without DM; impaired RV compensation may underlie this finding. Further study is needed to understand this effect.
Association analysis using next-generation sequence data from publicly available control groups: the robust variance score statistic
Authors: Derkach Andriy , Chiang Theodore , Gong Jiafen , Addis Laura , Dobbins Sara , Tomlinson Ian , Houlston Richard , Pal Deb K. , Strug Lisa J.
Published: April 2014

Motivation: Sufficiently powered case–control studies with next-generation sequence (NGS) data remain prohibitively expensive for many investigators. If feasible, a more efficient strategy would be to include publicly available sequenced controls. However, these studies can be confounded by differences in sequencing platform; alignment, single nucleotide polymorphism and variant calling algorithms; read depth; and selection thresholds. Assuming one can match cases and controls on the basis of ethnicity and other potential confounding factors, and one has access to the aligned reads in both groups, we investigate the effect of systematic differences in read depth and selection threshold when comparing allele frequencies between cases and controls. We propose a novel likelihood-based method, the robust variance score (RVS), that substitutes genotype calls by their expected values given observed sequence data.

Results: We show theoretically that the RVS eliminates read depth bias in the estimation of minor allele frequency. We also demonstrate that, using simulated and real NGS data, the RVS method controls Type I error and has comparable power to the ‘gold standard’ analysis with the true underlying genotypes for both common and rare variants.

Availability and implementation: An RVS R script and instructions can be found at strug.research.sickkids.ca , and at https://github.com/strug-lab/RVS .

Contact:  lisa.strug@utoronto.ca

Supplementary information:  Supplementary data are available at Bioinformatics online.
Drivers of extinction risk in African mammals: the interplay of distribution state, human pressure, conservation response and species biology
Authors: Di Marco Moreno , Buchanan Graeme M. , Szantoi Zoltan , Holmgren Milena , Grottolo Marasini Gabriele , Gross Dorit , Tranquilli Sandra , Boitani Luigi , Rondinini Carlo
Published: April 2014

Although conservation intervention has reversed the decline of some species, our success is outweighed by a much larger number of species moving towards extinction. Extinction risk modelling can identify correlates of risk and species not yet recognized to be threatened. Here, we use machine learning models to identify correlates of extinction risk in African terrestrial mammals using a set of variables belonging to four classes: species distribution state, human pressures, conservation response and species biology. We derived information on distribution state and human pressure from satellite-borne imagery. Variables in all four classes were identified as important predictors of extinction risk, and interactions were observed among variables in different classes (e.g. level of protection, human threats, species distribution ranges). Species biology had a key role in mediating the effect of external variables. The model was 90% accurate in classifying extinction risk status of species, but in a few cases the observed and modelled extinction risk mismatched. Species in this condition might suffer from an incorrect classification of extinction risk (hence require reassessment). An increased availability of satellite imagery combined with improved resolution and classification accuracy of the resulting maps will play a progressively greater role in conservation monitoring.
Bridging the Genotype and the Phenotype: Towards An Epigenetic Landscape Approach to Evolutionary Systems Biology
Authors: Davila-Velderrain Jose , Alvarez-Buylla Elena R
Published: April 2014

Understanding the mapping of genotypes into phenotypes is a central challenge of current biological research. Such mapping, conceptually represents a developmental mechanism through which phenotypic variation can be generated. Given the nongenetic character of developmental dynamics, phenotypic variation to a great extent has been neglected in the study of evolution. What is the relevance of considering this generative process in the study of evolution? How can we study its evolutionary consequences? Despite an historical systematic bias towards linear causation schemes in biology; in the post-genomic era, a systems-view to biology based on nonlinear (network) thinking is increasingly being adopted. Within this view, evolutionary dynamics can be studied using simple dynamical models of gene regulatory networks (GRNs). Through the study of GRN dynamics, genotypes and phenotypes can be unambiguously defined. The orchestrating role of GRNs constitutes an operational {\em non-linear} genotype-phenotype map. Further extension of these GRN models in order to explore and characterize an associated Epigenetic Landscape enables the study of the evolutionary consequences of both genetic and non-genetic sources of phenotypic variation within the same coherent theoretical framework. The merging of conceptually clear theories, computational/mathematical tools, and molecular/genomic data into coherent frameworks could be the basis for a transformation of biological research from mainly a descriptive exercise into a truly mechanistic, explanatory endeavor.
miR-99a/100∼125b tricistrons regulate hematopoietic stem and progenitor cell homeostasis by shifting the balance between TGFβ and Wnt signaling
Authors: Emmrich Stephan , Rasche Mareike , Schöning Jennifer , Reimer Christina , Keihani Sarva , Maroz Aliaksandra , Xie Ying , Li Zhe , Schambach Axel , Reinhardt Dirk , Klusmann Jan-Henning
Published: April 2014

Although regulation of stem cell homeostasis by microRNAs (miRNAs) is well studied, it is unclear how individual miRNAs genomically encoded within an organized polycistron can interact to induce an integrated phenotype. miR-99a/100, let-7, and miR-125b paralogs are encoded in two tricistrons on human chromosomes 11 and 21. They are highly expressed in hematopoietic stem cells (HSCs) and acute megakaryoblastic leukemia (AMKL), an aggressive form of leukemia with poor prognosis. Here, we show that miR-99a/100∼125b tricistrons are transcribed as a polycistronic message transactivated by the homeobox transcription factor HOXA10. Integrative analysis of global gene expression profiling, miRNA target prediction, and pathway architecture revealed that miR-99a/100, let-7, and miR-125b functionally converge at the combinatorial block of the transforming growth factor β (TGFβ) pathway by targeting four receptor subunits and two SMAD signaling transducers. In addition, down-regulation of tumor suppressor genes adenomatous polyposis coli (APC)/APC2 stabilizes active β-catenin and enhances Wnt signaling. By switching the balance between Wnt and TGFβ signaling, the concerted action of these tricistronic miRNAs promoted sustained expansion of murine and human HSCs in vitro or in vivo while favoring megakaryocytic differentiation. Hence, our study explains the high phylogenetic conservation of the miR-99a/100∼125b tricistrons controlling stem cell homeostasis, the deregulation of which contributes to the development of AMKL.
DNA methylation dynamics during epigenetic reprogramming in the germline and preimplantation embryos
Authors: Messerschmidt Daniel M. , Knowles Barbara B. , Solter Davor
Published: April 2014

Methylation of DNA is an essential epigenetic control mechanism in mammals. During embryonic development, cells are directed toward their future lineages, and DNA methylation poses a fundamental epigenetic barrier that guides and restricts differentiation and prevents regression into an undifferentiated state. DNA methylation also plays an important role in sex chromosome dosage compensation, the repression of retrotransposons that threaten genome integrity, the maintenance of genome stability, and the coordinated expression of imprinted genes. However, DNA methylation marks must be globally removed to allow for sexual reproduction and the adoption of the specialized, hypomethylated epigenome of the primordial germ cell and the preimplantation embryo. Recent technological advances in genome-wide DNA methylation analysis and the functional description of novel enzymatic DNA demethylation pathways have provided significant insights into the molecular processes that prepare the mammalian embryo for normal development.
Distinct regulatory mechanisms balance DegP proteolysis to maintain cellular fitness during heat stress
Authors: Kim Seokhee , Sauer Robert T.
Published: April 2014

Intracellular proteases combat proteotoxic stress by degrading damaged proteins, but their activity must be carefully controlled to maintain cellular fitness. The activity of Escherichia coli DegP, a highly conserved periplasmic protease, is regulated by substrate-dependent allosteric transformations between inactive and active trimer conformations and by the formation of polyhedral cages that confine the active sites within a proteolytic chamber. Here, we investigate how these distinct control mechanisms contribute to bacterial fitness under heat stress. We found that mutations that increase or decrease the equilibrium population of active DegP trimers reduce high-temperature fitness, that a mutation that blocks cage formation causes a mild fitness decrease, and that combining mutations that stabilize active DegP and block cage formation generates a lethal rogue protease. This lethality is suppressed by an extragenic mutation that prevents covalent attachment of an abundant outer-membrane lipoprotein to peptidoglycan and makes this protein an inhibitor of the rogue protease. Lethality is also suppressed by intragenic mutations that stabilize inactive DegP trimers. In combination, our results suggest that allosteric control of active and inactive conformations is the primary mechanism that regulates DegP proteolysis and fitness, with cage formation providing an additional layer of cellular protection against excessive protease activity.
Poly[[nonaaquabis(μ-5-hydroxybenzene-1,3-dicarboxylato)(5-hydroxybenzene-1,3-dicarboxylato)dicerium(III)] hexahydrate]
Authors: Fan Xiao , Daiguebonne Carole , Guillou Olivier , Camara Magatte
Published: April 2014

In the title coordination polymer, {[Ce2(C8H4O5)3(H2O)9]·6H2O}n, the asymmetric unit is formed by two CeIIIatoms, three 5-hydroxybenzene-1,3-dicarboxylate ligands, nine coordinating water molecules and six water molecules of crystallization. The two CeIIIatoms are bridged by 5-hydroxybenzene-1,3-dicarboxylate ligands acting in a bis-bidentate coordination mode, generating infinite chains along [101]. Both independent metal atoms are nine-coordinated, one by four O atoms from the carboxylate groups of two bridging 5-hydroxybenzene-1,3-dicarboxylate ligands and five O atoms from water molecules, generating a tricapped trigonal–prismatic geometry. The coordination around the second CeIIIatom is similar, except that one of the water molecules is replaced by an O atom from an additional 5-hydroxybenzene-1,3-dicarboxylate ligand acting in a monodentate coordination mode and forming a capped square-antiprismatic geometry.
6-Bromo-4-oxo-4H-chromene-3-carbaldehyde
Authors: Ishikawa Yoshinobu
Published: April 2014

In the title compound, C10H5BrO3, a brominated 3-formylchromone derivative, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0420 Å), with the largest deviation from its mean plane [0.109 (2) Å] being found for the ring-bound carbonyl O atom. In the crystal, molecules are linked through halogen bonds [Br...O = 3.191 (2) Å, C—Br...O = 167.32 (10)° and C=O...Br = 168.4 (2)°] along [101]. Molecules are assembled into layers parallel to (101)viaπ–π stacking interactions along thebaxis [shortest centroid–centroid distance between the pyran and benzene rings = 3.495 (2) Å].
2,8,15,18,21,24,31,37,44,47,50,53-Dodecaoxaheptacyclo[52.4.0.04,35.06,33.09,14.025,30.038,43]octapentaconta-1(54),4,6(33),9(14),10,12,25(30),26,28,34,38(43),39,41,55,57-pentadecaene dichloromethane disolvate
Authors: Yun Ji Ye , Ahn Sung Wan , Kim Dong Hwan , Sim Wonbo , Lee Jai Young
Published: April 2014

In the title compound, C46H50O12·2CH2Cl2, each dual 20-crown-6 unit crystallizes with two dichloromethane solvent molecules. The crown unit molecule lies about an inversion centre located at the central benzene ring. The two crown ring groups adopt ananticonformation, stabilized by weak intramolecular C—H...O interactions. In the crystal, the crown unit molecules and the solvent molecules are linked by C—H...O interactions into a three-dimensional network.
(E)-4-Methyl-N′-[(4-oxo-4H-chromen-3-yl)methylidene]benzohydrazide
Authors: Ishikawa Yoshinobu , Watanabe Kohzoh
Published: April 2014

In the title chromone-tethered benzohydrazide derivative, C18H14N2O3, the 4H-chromen-4-one and the –CH=N–NH–CO– units are each essentially planar, with the largest deviations from thei planes being 0.052 (2) and 0.003 (2) Å, respectively. The dihedral angles between the 4H-chromen-4-one and the –CH=N–NH–CO– units, the 4H-chromen-4-one unit and the benzene ring of the 4-tolyl group, and the benzene ring of the 4-tolyl group and the –CH=N–NH–CO– unit are 8.09 (7), 9.94 (5) and 17.97 (8)°, respectively. In the crystal, the molecules form two types of centrosymmetric dimers: one by N—H...O hydrogen bonds and the other by π–π stacking interactions between the 4H-chromen-4-one unit and the 4-tolyl group [centroid–centroid distance = 3.641 (5) Å]. These dimers form one-dimensional assemblies extending along thea-axis direction. Additional π–π stacking interactions between two 4H-chromen-4-one units [centroid–centroid distance = 3.591 (5) Å] and two 4-tolyl groups [centroid–centroid distance = 3.792 (5) Å] organize the molecules into a three-dimensional network.
Avoidable errors in deposited macromolecular structures: an impediment to efficient data mining
Authors: Dauter Zbigniew , Wlodawer Alexander , Minor Wladek , Jaskolski Mariusz , Rupp Bernhard
Published: April 2014

Whereas the vast majority of the more than 85 000 crystal structures of macromolecules currently deposited in the Protein Data Bank are of high quality, some suffer from a variety of imperfections. Although this fact has been pointed out in the past, it is still worth periodic updates so that the metadata obtained by global analysis of the available crystal structures, as well as the utilization of the individual structures for tasks such as drug design, should be based on only the most reliable data. Here, selected abnormal deposited structures have been analysed based on the Bayesian reasoning that the correctness of a model must be judged against both the primary evidence as well as prior knowledge. These structures, as well as information gained from the corresponding publications (if available), have emphasized some of the most prevalent types of common problems. The errors are often perfect illustrations of the nature of human cognition, which is frequently influenced by preconceptions that may lead to fanciful results in the absence of proper validation. Common errors can be traced to negligence and a lack of rigorous verification of the models against electron density, creation of non-parsimonious models, generation of improbable numbers, application of incorrect symmetry, illogical presentation of the results, or violation of the rules of chemistry and physics. Paying more attention to such problems, not only in the final validation stages but during the structure-determination process as well, is necessary not only in order to maintain the highest possible quality of the structural repositories and databases but most of all to provide a solid basis for subsequent studies, including large-scale data-mining projects. For many scientists PDB deposition is a rather infrequent event, so the need for proper training and supervision is emphasized, as well as the need for constant alertness of reason and critical judgment as absolutely necessary safeguarding measures against such problems. Ways of identifying more problematic structures are suggested so that their users may be properly alerted to their possible shortcomings.
Brownian motion studies of viscoelastic colloidal gels by rotational single particle tracking
Authors: Liang Mengning , Harder Ross , Robinson Ian K.
Published: April 2014

Colloidal gels have unique properties due to a complex microstructure which forms into an extended network. Although the bulk properties of colloidal gels have been studied, there has been difficulty correlating those properties with individual colloidal dynamics on the microscale due to the very high viscosity and elasticity of the material. We utilize rotational X-ray tracking (RXT) to investigate the rotational motion of component crystalline colloidal particles in a colloidal gel of alumina and decanoic acid. Our investigation has determined that the high elasticity of the bulk is echoed by a high elasticity experienced by individual colloidal particles themselves but also finds an unexpected high degree of rotational diffusion, indicating a large degree of freedom in the rotational motion of individual colloids even within a tightly bound system.
First spin-resolved electron distributions in crystals from combined polarized neutron and X-ray diffraction experiments
Authors: Deutsch Maxime , Gillon Béatrice , Claiser Nicolas , Gillet Jean-Michel , Lecomte Claude , Souhassou Mohamed
Published: April 2014

Since the 1980s it has been possible to probe crystallized matter, thanks to X-ray or neutron scattering techniques, to obtain an accurate charge density or spin distribution at the atomic scale. Despite the description of the same physical quantity (electron density) and tremendous development of sources, detectors, data treatment softwareetc., these different techniques evolved separately with one model per experiment. However, a breakthrough was recently made by the development of a common model in order to combine information coming from all these different experiments. Here we report the first experimental determination of spin-resolved electron density obtained by a combined treatment of X-ray, neutron and polarized neutron diffraction data. These experimental spin up and spin down densities compare very well with density functional theory (DFT) calculations and also confirm a theoretical prediction made in 1985 which claims that majority spin electrons should have a more contracted distribution around the nucleus than minority spin electrons. Topological analysis of the resulting experimental spin-resolved electron density is also briefly discussed.
The clean development mechanism
Authors: Burian Martin , Arens Christof
Published: April 2014

Purpose

– Since the registration of the first clean development mechanism (CDM) project in 2004, the CDM has seen a dynamic expansion: the CDM pipeline currently comprises 6,725 projects generating 2.73 billion certified emission reductions (CERs) up to 2012. These CERs result in a substantial financial flow from Annex I to Non-Annex I countries. But CDM projects also result in investments in low carbon technologies, a substantial share of which is focused on the energy sector. The total installed capacity of all CDM projects amounts to 288,944 MW. However, the CDM is not widely taken up in Africa. This holds true for Africa's share in the CDM project pipeline (2.62 per cent), for Africa's share in CERs generated up to 2012 (3.58 per cent) and for the normalized CERs per capita, per country. Two hypothesizes are commonly discussed: first, the continent features low per capita emissions and low abatement potentials. Second, African countries may be hampered by weak institutional frameworks. This article reviews both hypotheses and presents new empirical data. The paper aims to discuss these issues.

Design/methodology/approach

– Investigating the greenhouse gas (GHS) abatement potential of 16 energy-related sectors for 11 selected least developed countries in sub-Saharan Africa shows a total theoretical CDM potential of 128.6 million CERs per year. Analyzing investment indicators confirms that most countries are impeded by below average investment conditions.

Findings

– It is concluded that Africa offers a considerable range of substantial abatement potentials. However, the weak institutional framework is limiting the uptake of the CDM in Africa. This is underpinned by an analysis which shows if a CDM sector has high investment cost, Africa will have a low share in the sector. If the sector has low investment needs per CER, Africa's share in the CDM sector will be bigger. Investment needs and Africa's share in the pipeline feature a negative correlation.

Research limitations/implications

– Supporting CDM development in Africa should not be constraint to technical assistance. It will be crucial to develop an integrated financing approach, comprising the CDM as a co-financing mechanism, to overcome the institutional challenges.

Originality/value

– Until today, there are few empirical studies that use concrete criteria and indicators to show why the CDM is underrepresented in Africa. The work presented here contributes to filling this gap.
Identifying integrated options for agricultural climate change mitigation
Authors: Tzilivakis John , Lewis Kathleen , Green Andrew , Warner Douglas
Published: April 2014

Purpose

– In order to achieve reductions in greenhouse gas (GHG) emissions, it is essential that all industry sectors have the appropriate knowledge and tools to contribute. This includes agriculture, which is considered to contribute about a third of emissions globally. This paper reports on one such tool: IMPACCT: Integrated Management oPtions for Agricultural Climate Change miTigation. The paper aims to discuss these issues.

Design/methodology/approach

– IMPACCT focuses on GHGs, carbon sequestration and associated mitigation options. However, it also attempts to include information on economic and other environmental impacts in order to provide a more holistic perspective. The model identifies mitigation options, likely economic impacts and any synergies and trade-offs with other environmental objectives. The model has been applied on 22 case study farms in seven Member States.

Findings

– The tool presents some useful concepts for developing carbon calculators in the future. It has highlighted that calculators need to evolve from simply calculating emissions to identifying cost-effective and integrated emissions reduction options.

Practical implications

– IMPACCT has potential to become an effective means of provided targeted guidance, as part of a broader knowledge transfer programme based on an integrated suite of guidance, tools and advice delivered via different media.

Originality/value

– IMPACCT is a new model that demonstrates how to take a more integrated approach to mitigating GHGs on farms across Europe. It is a holistic carbon calculator that presents mitigation options in the context other environmental and economic objectives in the search for more sustainable methods of food production.
Attributes of alignment of real estate and facilities management to business needs
Authors: Shiem-shin Then Danny , Tan Teng-hee , Fonseca Santovito Rogerio , Anker Jensen Per
Published: April 2014

Purpose

– The purpose of this paper is to present a model for consideration of real estate and facilities management (RE/FM) alignment to business needs and to validate the model based on questionnaire surveys carried out in a number of countries around the world.

Design/methodology/approach

– The model for RE/FM alignment is inspired by the work of the fathers of the Balanced Scorecard in their book called Alignment. The model includes a number of criteria for alignment between business needs, facility solutions, FM services and FM resources. Three multi-year questionnaire surveys were conducted using the same methodology: the surveys have been carried out in three rounds in different languages: English, Portuguese and Danish. The respondents were senior professionals in the area of FM and real estate/property, mostly working at strategic levels, and representing countries in Asia, Australia, Europe, North America, and South America. The results of the different surveys were combined and then analyzed, using both statistical analysis and tests to validate the results. Differences in the priorities of the alignment criteria in the different regions are described and analyzed.

Findings

– A main result of the surveys is that all of the alignment criteria were seen as relevant and useful in nearly all countries, but the accorded priorities to the different criteria varied significantly for some of the alignment variables in the different regions. The highest degree of agreement was on “capacity”, being the most important criteria for the alignment between supply and demand of facility solutions in relation to business needs. One of the main differences in agreement was between the importance of strategy versus cost in the alignment between “facility solutions” and “FM services”.

Originality/value

– Alignment of RE/FM to business needs is an essential management task and an important tool for RE/FM executives to create added value to their core business. However, there has so far only been limited research into such an alignment concept applicable to FM and an implementation model.
Management of a luxury brand: dimensions and sub-variables from a case study of LVMH
Authors: Cavender RayeCarol , H. Kincade Doris
Published: April 2014

Purpose

– The purpose of this paper is to develop industry specific operational definitions for marketing dimensions and sub-variables in the luxury goods industry that will contribute to the growing body of company-based research on luxury brand management.

Design/methodology/approach

– Case study of a leading luxury goods conglomerate provides operational definitions and insight into best practices for management of a luxury goods brand through an in-depth historical review and analysis of variables, measures, relationships, and patterns that emerged throughout the study of the sample company.

Findings

– Successes and failures of brand management for the sample company for the umbrella variables of brand strategy, growth trade-offs, and strategic planning, and their associated sub-variables, were identified in the review of literature and were analyzed, adapted, and enumerated according to findings from the case study.

Research limitations/implications

– Results limited to the study of one sample company. Common themes were identified in the management of a luxury brand that can be used by researchers to study other luxury companies.

Practical implications

– Variables and measures for luxury brand management were identified throughout the review of literature and verified throughout the case study as being instrumental in brand management success of a leading luxury goods conglomerate and may be relevant to other luxury companies aiming to hone their brand management strategies.

Originality/value

– Luxury goods research is increasing in prominence, but the majority of this research is consumer-based. This research contributes to the growing body of company-based luxury research.
Consumer-brand relationships in step-down line extensions of luxury and designer brands
Authors: Hanslin Kamilla , Rindell Anne
Published: April 2014

Purpose

– The purpose of this paper is to discuss and identify consumer-brand relationships in a luxury brand context. The focus is on consumer-brand relationship forms emerging in relation to step-down line extensions of luxury brands. The study is positioned within fashion industry.

Design/methodology/approach

– A qualitative research approach is adopted analyzing data from 13 open consumer interviews. Photo collages of luxury brands and their step-down line extension logos were used as inspiration for informants in the interviews.

Findings

– Findings show that consumer-brand relationships mostly follow earlier identified consumer-brand relationships. However, five new relationship types (status, inspirational, impulse, rewarding and turncoat) are identified. All but status relationships can be generalized also to other contexts than the luxury brand context.

Research limitations/implications

– The study advances the understanding of luxury products and their step-down line extensions from a consumer perspective. However, due to the exploratory nature of the study the data are limited.

Practical implications

– This study showed that step-down line extensions are not perceived as that important that they could not be replaced with another brand in the same product category. Informants often preferred step-down line extensions to parent brands due to their more suitable design, even when the informant was hypothetically asked if the opinion would change if economic issues were not a restraint. Managers are encouraged to analyze their brands based on a brand-relationship approach.

Originality/value

– The study uses the concept consumer-brand relationship as a new way to understand how consumers relate to line extensions in a luxury brand context. The approach is novel.
Employee satisfaction and sustainable leadership practices in Thai SMEs
Authors: Suriyankietkaew Suparak , C. Avery Gayle
Published: April 2014

Purpose

– Given previous findings that employee satisfaction contributes to firm performance and sustainability, this study examined the relationships between 23 leadership/management practices on employee satisfaction. It identified specific practices with significant effects on employee satisfaction. The paper aims to discuss these issues.

Design/methodology/approach

– Using a theoretical framework and questionnaire derived from Avery and Bergsteiner's Sustainable Leadership Model, data were collected from 1,152 employees in small- and medium-sized enterprises (SMEs) in Bangkok, Thailand.

Findings

– Overall, adopting sustainable leadership (SL) practices was related significantly to employee satisfaction, consistent with Avery and Bergsteiner's model. Twenty of the 23 SL practices were linked to enhanced employee satisfaction, the exceptions being independence from the financial markets, self-management and environmental responsibility. Specific SL practices predicted enhanced employee satisfaction more than others, the strongest predictor being high staff engagement. Other practices associated with employee satisfaction were: valuing employees, ethical behaviour, considered organizational change, a strong and shared vision, an enabling culture, and quality in products and services.

Research limitations/implications

– Considerable scope exists for future research into the relationships between individual and bundles of SL practices with employee satisfaction in different national, industry and other contexts. Further limitations are discussed in the paper.

Practical implications

– Managers of SMEs in Thailand and possibly in other contexts should consider adopting the SL practices shown to significantly enhance employee satisfaction and in doing so help sustain their business success.

Originality/value

– This study pioneered research into a gap in the literature about the SL and management practices that positively predict enhanced employee satisfaction, an area of importance to both leadership practice and research.