bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ethanol to 1,3‐Butadiene Conversion by using ZrZn‐Containing MgO/SiO2 Systems Prepared by Co‐precipitation and Effect of Catalyst Acidity Modification
Authors: Da Ros Simoní , Jones Matthew D. , Mattia Davide , Pinto Jose C. , Schwaab Marcio , Noronha Fabio B. , Kondrat Simon A. , Clarke Tomos C. , Taylor Stuart H. 
Published: June 2016

AbstractThe conversion of ethanol to 1,3‐butadiene (1,3‐BD) has been investigated over ZrO2‐ and ZnO‐containing magnesia silica oxides prepared by a co‐precipitation method at different Mg‐to‐Si molar ratios. The effect of reaction temperature and ethanol flow rate was investigated. The catalyst acidity was modified through the addition of alkali metals (Na, K and Li) to the final materials. Catalysts were characterised by nitrogen physisorption analysis, X‐ray diffraction, scanning electron microscopy with energy dispersive X‐ray, temperature‐programmed desorption of ammonia, infrared spectroscopy and 29Si/(7Li) NMR spectroscopy. The catalytic results showed that the controlled reduction of catalyst acidity allows ethanol dehydration to be suppressed, whilst increasing 1,3‐BD selectivity. The best catalytic performance achieved 72 mol % for the combined 1,3‐BD and acetaldehyde selectivity.
Hydrogenation and Transfer Hydrogenation Promoted by Tethered Ru−S Complexes: From Cooperative Dihydrogen Activation to Hydride Abstraction/Proton Release from Dihydrogen Surrogates
Authors: Lefranc Alice , Qu Zheng‐Wang , Grimme Stefan , Oestreich Martin 
Published: June 2016

AbstractHydrogenation and transfer hydrogenation of imines with cyclohexa‐1,4‐dienes, as well as with a representative Hantzsch ester dihydrogen surrogate, are reported. Both processes are catalyzed by tethered Ru−S complexes but differ in the activation mode of the dihydrogen source: cooperative activation of the H−H bond at the Ru−S bond leads to the corresponding Ru−H complex and protonation of the sulfur atom, whereas the same cationic Ru−S catalyst abstracts a hydride from a donor‐substituted cyclohexa‐1,4‐diene to form the neutral Ru−H complex and a low‐energy Wheland intermediate. A sequence of proton and hydride transfers on the imine substrate then yields an amine. The reaction pathways are analyzed computationally, and the established mechanistic pictures are in agreement with the experimental observations.
Exploring the Strength of the H‐Bond in Synthetic Models for Heme Proteins: The Importance of the N−H Acidity of the Distal Base
Authors: Alberti Mariza N. , Polyhach Yevhen , Tzirakis Manolis D. , Tödtli Laura , Jeschke Gunnar , Diederich François 
Published: June 2016

AbstractThe distal hydrogen bond (H‐bond) in dioxygen‐binding proteins is crucial for the discrimination of O2with respect to CO or NO. We report the preparation and characterization of a series of ZnIIporphyrins, with one of threemeso‐phenyl rings bearing both an alkyl‐tethered proximal imidazole ligand and a heterocyclic distal H‐bond donor connected by a rigid acetylene spacer. Previously, we had validated the corresponding CoIIcomplexes as synthetic model systems for dioxygen‐binding heme proteins and demonstrated the structural requirements for proper distal H‐bonding to CoII‐bound dioxygen. Here, we systematically vary the H‐bond donor ability of the distal heterocycles, as predicted based on pKavalues. The H‐bond in the dioxygen adducts of the CoIIporphyrins was directly measured by Q‐band Davies‐ENDOR spectroscopy. It was shown that the strength of the hyperfine coupling between the dioxygen radical and the distal H‐atom increases with enhanced acidity of the H‐bond donor.
Highly Selective and Stable Reduction of CO2 to CO by a Graphitic Carbon Nitride/Carbon Nanotube Composite Electrocatalyst
Authors: Lu Xunyu , Tan Tze Hao , Ng Yun Hau , Amal Rose 
Published: June 2016

AbstractA stable and selective electrocatalyst for CO2 reduction was fabricated by covalently attaching graphitic carbon nitride onto multiwall carbon nanotubes (g‐C3N4/MWCNTs). The as‐prepared composite is able to reduce CO2 exclusively to CO with a maximum Faraday efficiency of 60 %, and no decay in the catalytic activity was observed even after 50 h of reaction. The enhanced catalytic activity towards CO2 reduction is attributed to the formation of active carbon–nitrogen bonds, high specific surface area, and improved material conductivity of the g‐C3N4/MWCNT composite.
Evaluation of the use of adsorbent materials in the removal of nitrogen compounds from gas oil as a pre‐treatment for feeds for fluid catalytic cracking units
Authors: Silva Carlos F. P. M. , Davila Luiz A. , Junior Amaro G. B. , Figueiredo Marcos A. G. , Souza Wallace C. , Albuquerque Flavio C. 
Published: June 2016

AbstractThis study was designed to investigate the use of commercial adsorbent materials for the removal of nitrogen compounds from a vacuum gas oil obtained from an industrial atmospheric distillation unit. Two types of adsorbents were tested: a clay developed specifically for the removal of nitrogen compounds from middle distillates (jet fuel and diesel); and a silica used in a variety of industries. Kinetic and thermodynamic equilibrium experiments were conducted at three temperatures: 80, 100, and 120 °C. The variation in the concentration of nitrogen and aromatic compounds was monitored throughout the kinetic adsorption and thermodynamic equilibrium experiments. When an adsorbent/gas oil mass ratio of 0.75 was used, the clay removed around 70 % of the basic nitrogen compounds from the gas oil, while the silica removed 80 % of the same compounds, which are the ones that effectively hamper catalytic cracking. The silica also removed 14.2 % of the aromatic compounds, while the clay only removed 4.1 %. This study shows that it is possible to treat a viscous hydrocarbon feed using an adsorption process to remove nitrogen compounds without the need to dilute the feed. Using a fluidized bed advanced cracking evaluation (ACE) unit, which simulates a fluid catalytic cracking unit on a bench scale, the gas oil treated with silica produced 3 % more liquid petroleum gas (LPG) and 4 % more gasoline, while the gas oil treated with clay produced 2 % more LPG and 3 % more gasoline than the untreated gas oil.
NiFe2O4 production from α‐Fe2O3 via improved solid state reaction: Application as catalyst in CH4 dry reforming
Authors: Chamoumi Mostafa , Abatzoglou Nicolas 
Published: June 2016

A new, less‐material‐intensive, and fast protocol was developed to synthesize NiFe2O4 spinel from hematite α‐Fe2O3. This is a solid state reaction at relatively low severity and short milling time (2–10 min). The product was characterized by X‐ray diffraction (XRD), scanning electron microscopy coupled with energy dispersive X‐ray spectroscopy, temperature‐programmed reduction, thermogravimetric analysis, and BET specific surface area.The produced NiFe2O4 was tested as a methane dry reforming catalyst (CH4 + CO2) to compare its activity with similar Ni‐Fe spinels reported in the literature.XRD revealed that under stoichiometric conditions, the resulting formulation contains only pure NiFe2O4, in a crystalline spinel structure. The catalytic performance of NiFe2O4 during CH4 dry reforming, at 800 °C for 4 h and a stoichiometric molar ratio of CO2/CH4 = 1, is described by the following results: CH4 conversion rose to about 40 % after 30 min over time‐on‐stream (TOS), then decreased more slowly to 25 % after 4 h of TOS. Over the same period, hydrogen (H2) yield increased to 50 % during the first 1 h of TOS, then following the same pattern as CH4 conversion, it dropped to 30 % over the next 4 h of TOS. These results show that the tested NiFe2O4 is better than those reported in the literature for similar catalytic use of nanometric NiFe2O4.
Missing the mark in FGFR1‐amplified squamous cell cancer of the lung
Authors: Paik Paul K. , Rudin Charles M. 
Published: June 2016

In contrast to targeted therapy development in lung adenocarcinoma, trials targeting fibroblast growth factor receptor 1 (FGFR1) in squamous cell lung cancers generally have been disappointing. Gene amplification or overexpression of this target may not be a sufficiently robust predictor of efficacy for FGFR1 inhibitors.See also pages 3024‐31.
Digital printing of acrylic fabric with cationic dyes using conventional inkjet printer
Authors: Fashandi Sajjad 
Published: June 2016

AbstractA special printing ink formulation based on cationic dyes is developed for digital printing of acrylic fabrics using a conventional inkjet printer. In order to investigate the contribution of color gamut boundary of printer colorants to printing efficiency, customized color targets containing 3164 color patches in 25 different hues were generated. The printed color patches were then fixed through steaming for 30 minutes followed by washing with hot soap and water and finally drying. To show the influence of dye fixation on colorimetric changes as well as color gamut boundary of samples, the L*a*b* values of color patches before and after fixation process were compared. Results demonstrate that color saturation of samples is enhanced dramatically after the dye fixation process. In fact, 3D color gamut of color patches has been drastically expanded as a direct consequence of adsorption to absorption transition. Additionally, dye fixation changes the structure of printed image from halftone superimposed dots to contone superimposed dyes. Strictly speaking, during fixation process, colors inside the halftone dots diffuse through the interfacial area to make the individual printed dots integrated. This is in analogy to the chromogenic photography films and dye‐sublimation thermal transfer processes by which contone images are produced. Moreover, dye fixation improves the washing fastness of digitally printed acrylic fabrics to the level comparable with the traditional screen printing method. © 2016 Wiley Periodicals, Inc. Col Res Appl, 42, 244–249, 2017
A computational model simulating the mental function of multicolor aesthetic evaluation
Authors: Fang Siyuan , Muramatsu Keiichi , Matsui Tatsunori 
Published: June 2016

AbstractIn this research, a computational model that simulates the mental function of multicolor aesthetic evaluation through backpropagation neural networks was constructed. Helmut Leder's psychological model served as the theoretical framework. We determined the macro‐architecture of the computational model through two psychological experiments using the semantic differential (SD) method. The aesthetic score of a multicolor stimulus is defined as the inverse of its factor score on the factor “Pleasure” extracted in the first experiment, and each of the three factors extracted in the second experiment—i.e., “Stability,” “Heaviness,” and “Presence”—is regarded as a simple perceptual feature. The genetic algorithm was then employed to optimize the hidden layer node number, the learning rate, and the momentum constant of each neural network. In two simulation tests, this computational model exhibited some predictive power, implying that the model can be regarded as a relatively successful approximation of the psychological mechanism of multicolor aesthetic evaluation. In addition, the results of the second simulation also show that the perceptual feature “Heaviness” possesses the principal impact on the aesthetic evaluation of multicolor objects, whereas the other two perceptual features “Stability” and “Presence” have a minor influence. The heavier and/or more stable a multicolor object is perceived to be, the less aesthetically pleasing it is. Conversely, the stronger the sense of matter presence a multicolor object elicits, the more aesthetically appealing it is. © 2016 Wiley Periodicals, Inc. Col Res Appl, 42, 216–235, 2017
Graphitic Mesoporous Carbon Loaded with Iron–Nickel Hydroxide for Superior Oxygen Evolution Reactivity
Authors: Wang Ling , Huang Xiaolei , Xue Junmin 
Published: June 2016

AbstractEarth‐abundant transition metal oxides and hydroxides have been intensively investigated as promising catalysts for the oxygen evolution reaction (OER). However, the overall OER performance of the transition metal oxides/hydroxides is largely jeopardized by their inherent low electrical conductivity. Mesoporous carbon has been a commonly used as a carrier material for these oxides/hydroxides to promote the electrical conductivity and provide a large specific surface area. However, most of the available mesoporous carbon carriers are amorphous. It has been very challenging to synthesize graphitic mesoporous carbon owing to the extremely high graphitization temperature. In this work, we report a new strategy used to prepare graphitic mesoporous carbon (GMC) by employing Fe metal as the graphitization catalyst. The graphitic carbon was obtained at 1000 °C, at which it retained its mesoporous structure. The conductivity of the obtained GMC was approximately 550 S m−1, which was almost ten times higher than that of amorphous carbon. The GMC was further loaded with Fe–Ni hydroxide to fabricate the OER catalyst. The obtained catalyst showed good OER activity with an overpotential of 320 mV at a current density of 10 mA cm−2 and a low Tafel slope of 57 mV dec−1. The synthesized catalyst also possessed excellent stability, with almost no current drop even after 2000 cycles and at a constant voltage for 2 h.
High glucocorticoid levels during gestation activate the inflammasome in hippocampal oligodendrocytes of the offspring
Authors: Maturana Carola J. , Aguirre Adam , Sáez Juan C. 
Published: June 2016

ABSTRACTExposure to high levels of glucocorticoids (GCs) during early life induces long‐lasting neuroinflammation. GCs induce rapid degranulation of mast cells, which release proinflammatory molecules promoting activation of microglia and astrocytes. The possible involvement of oligodendrocytes, however, remains poorly understood. It was studied whether high GC levels during gestation activates the inflammasome in hippocampal oligodendrocytes of mouse offspring. Oligodendrocytes of control pups showed expression of inflammasome components (NLRP3, ACS, and caspase‐1) and their levels were increased by prenatal administration of dexamethasone (DEX), a synthetic GC. These cells also showed high levels of IL‐1β and TNF‐α, revealing activation of the inflammasome. Moreover, they showed increased levels of the P2X7 receptor and pannexin1, which are associated to inflammasome activation. However, levels of connexins either were not affected (Cx29) or reduced (Cx32 and Cx47). Nonetheless, the functional states of pannexin1 and connexin hemichannels were elevated and directly associated to functional P2X7 receptors. As observed in DEX‐treated brain slices, hemichannel activity first increased in hippocampal mast cells and later in microglia and macroglia. DEX‐induced oligodendrocyte hemichannel activity was mimicked by urocortin‐II, which is a corticotropin‐releasing hormone receptor (CRHR) agonist. Response to DEX and urocortin‐II was inhibited by antalarmin (a CRHR blocker) or by mast cells or microglia inhibitors. The increase in hemichannel activity persisted for several weeks after birth and cross‐fostering with a control mother did not reverse this condition. It is proposed that activation of the oligodendrocyte inflammasome might be relevant in demyelinating diseases associated with early life exposure to high GC levels. © 2016 Wiley Periodicals, Inc. Develop Neurobiol 77: 625–642, 2017
Complicating connectomes: Electrical coupling creates parallel pathways and degenerate circuit mechanisms
Authors: Marder Eve , Gutierrez Gabrielle J. , Nusbaum Michael P. 
Published: June 2016

AbstractElectrical coupling in circuits can produce non‐intuitive circuit dynamics, as seen in both experimental work from the crustacean stomatogastric ganglion and in computational models inspired by the connectivity in this preparation. Ambiguities in interpreting the results of electrophysiological recordings can arise if sets of pre‐ or postsynaptic neurons are electrically coupled, or if the electrical coupling exhibits some specificity (e.g. rectifying, or voltage‐dependent). Even in small circuits, electrical coupling can produce parallel pathways that can allow information to travel by monosynaptic and/or polysynaptic pathways. Consequently, similar changes in circuit dynamics can arise from entirely different underlying mechanisms. When neurons are coupled both chemically and electrically, modifying the relative strengths of the two interactions provides a mechanism for flexibility in circuit outputs. This, together with neuromodulation of gap junctions and coupled neurons is important both in developing and adult circuits. © 2016 Wiley Periodicals, Inc. Develop Neurobiol 77: 597–609, 2017
Relationship between maternal environment and DNA methylation patterns of estrogen receptor alpha in wild Eastern Bluebird (Sialia sialis) nestlings: a pilot study
Authors: Bentz Alexandra B. , Sirman Aubrey E. , Wada Haruka , Navara Kristen J. , Hood Wendy R. 
Published: June 2016

AbstractThere is mounting evidence that, across taxa, females breeding in competitive environments tend to allocate more testosterone to their offspring prenatally and these offspring typically have more aggressive and faster‐growing phenotypes. To date, no study has determined the mechanisms mediating this maternal effect's influence on offspring phenotype. However, levels of estrogen receptor alpha (ERα) gene expression are linked to differences in early growth and aggression; thus, maternal hormones may alter gene regulation, perhaps via DNA methylation, of ERα in offspring during prenatal development. We performed a pilot study to examine natural variation in testosterone allocation to offspring through egg yolks in wild Eastern Bluebirds (Sialia sialis) in varying breeding densities and percent DNA methylation of CG dinucleotides in the ERα promoter in offspring brain regions associated with growth and behavior. We hypothesized that breeding density would be positively correlated with yolk testosterone, and prenatal exposure to maternal‐derived yolk testosterone would be associated with greater offspring growth and decreased ERα promoter methylation. Yolk testosterone concentration was positively correlated with breeding density, nestling growth rate, and percent DNA methylation of one out of five investigated CpG sites (site 3) in the diencephalon ERα promoter, but none in the telencephalon (n = 10). Percent DNA methylation of diencephalon CpG site 3 was positively correlated with growth rate. These data suggest a possible role for epigenetics in mediating the effects of the maternal environment on offspring phenotype. Experimentally examining this mechanism with a larger sample size in future studies may help elucidate a prominent way in which animals respond to their environment. Further, by determining the mechanisms that mediate maternal effects, we can begin to understand the potential for the heritability of these mechanisms and the impact that maternal effects are capable of producing at an evolutionary scale.
Low Carbon Governance: Mobilizing Community Energy through Top‐Down Support?
Authors: Markantoni Marianna 
Published: June 2016

AbstractCommunity energy makes an important contribution to sustainable energy generation, reduction and management, and is a desirable feature of a low carbon future. Renewable community energy is increasingly gaining momentum even in the centralized UK energy market. The challenge of low carbon transitions is faced by multiple territorial governments, and requires inclusive governance arrangements in which a combination of actors work together to implement community strategies towards a climate‐resilient future. Low carbon governance is a multi‐level and (co‐)evolving process, especially in the complex interactions between actors of the core, inner periphery and civil periphery. The devolution of power within the UK has enabled Scotland to establish an ambitious policy agenda for renewable energy. By exploring an established national community energy programme, this study examines the interplay among different actors and looks into how multi‐level governance can be strengthened. This paper combines multi‐level and evolutionary governance theory to understand the extent to which top‐down initiatives facilitate community renewable energy projects and help drive wider system transformations. It concludes that in an evolving policy environment, top‐down support for community energy is a necessary motivator. This requires the state to play a dominant role in directing low carbon transitions, while acting in concert with non‐state, local and regional actors. If communities are to benefit from energy transitions, wider policies must be aligned with community needs, otherwise community energy will be pushed to the margins of the next energy revolution. Copyright © 2016 John Wiley & Sons, Ltd and ERP Environment
No benefit from the obesity paradox for diabetic patients with heart failure
Authors: Zamora Elisabet , Lupón Josep , Enjuanes Cristina , Pascual‐Figal Domingo , de Antonio Marta , Domingo Mar , Comín‐Colet Josep , Vila Joan , Peñafiel Judith , Farré Núria , Alonso Núria , Santesmases Javier , Troya Maribel , Bayés‐Genís Antoni 
Published: June 2016

AimsParadoxically, obesity is associated with survival in heart failure (HF). Whether this is true for HF patients with comorbid type‐2 diabetes (T2D) remains uncertain. Our aim was to address this issue in diabetic patients by collecting correlates for body mass index (BMI) and long‐term mortality.Method and resultsBoth BMI and survival after a mean follow‐up of 4.3 ± 3.0 years (up to 10 years) were assessed for 2527 ambulatory patients (66.3% men; mean age 69 ± 12.3 years). A total of 1102 (43.6%) patients had T2D and ischaemic aetiology of HF was present in 47.8%; mean left ventricular ejection fraction was 38 ± 16%. Based on BMI scores, patients were categorized as either underweight, normal, overweight, or obese. A significant survival interaction was observed between BMI and T2D. Smooth spline curves for the estimation of risk of all‐cause and cardiovascular death showed the classic obesity paradox, with reduced mortality as BMI increased in non‐diabetics; for T2D patients this pattern was lost. After adjustment for age and sex, hazard ratios for low‐weight and obesity were: 2.04 [95% confidence intervals (CI) 1.50–2.78, P < 0.001] and 0.76 (95% CI 0.58–0.99, P = 0.04), respectively, for non‐T2D patients; and 1.30 (95% CI 0.77–2.19, P = 0.32) and 0.99 (95% CI 0.78–1.26, P = 0.95), respectively, for T2D patients. Multivariate analyses for mortality (including BMI as a continuous variable) were significant for non‐diabetic patients only.ConclusionsIn patients with HF, but without T2D, the obesity paradox was present; however, T2D removed this phenomenon. Advice about weight loss for obese diabetic patients with HF requires further research.