bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cooperative Catalysis with Coupled Chiral Induction in 1,3‐Dipolar Cycloadditions of Azomethine Ylides
Authors: Cayuelas Alberto , Larrañaga Olatz , Selva Verónica , Nájera Carmen , Akiyama Takahiko , Sansano José M. , de Cózar Abel , Miranda José I. , Cossío Fernando P. 
Published: March 2018

Abstract1,3‐Dipolar cycloadditions (1,3‐DC) between imino esters (as precursors of N‐metallated azomethine ylides) and π‐deficient alkenes are promoted by cooperative asymmetric Lewis acid/Brønsted base catalysis. The components of these catalytic pairs are silver salts derived from enantiopure commercially available BINOL‐based phosphoric acids and Cinchona alkaloids. Chiral phosphoric silver(I) salts promote HOMO raising of in situ formed 1,3‐dipoles, whereas protonated cinchona alkaloids generate a LUMO lowering for the dipolarophiles resulting in a global acceleration of the 1,3‐DC. The best results were obtained with BINOL‐derived silver phosphate and hydrocinchonine. Matching between both cooperative metallo‐ and organocatalyst results in an enhanced enantiomeric excess, superior to that reached by both separate components. NOESY experiments and DFT calculations are compatible with a non‐covalent interaction (hydrogen bond) between both catalysts, which results in close contacts and mutually coupled chiral environments.
Steam catalytic cracking of coal tar over iron‐containing mixed metal oxides
Authors: Wang Tingting , Li Yang , Jin Lijun , Wang Dechao , Hu Haoquan 
Published: March 2018

AbstractSteam catalytic cracking is deemed as a promising method for the catalytic cracking of coal tar. In this study, a serial of iron‐containing mixed metal oxides including ceria, zirconia, alumina, cobalt, nickel, and barium oxides were prepared for steam catalytic cracking of coal tar and characterized by N2 adsorption‐desorption, X‐ray diffraction, H2 temperature programmed reduction, and Raman spectroscopy, respectively. It was found that the specific surface area and pore volume increase while the crystal size decreases when Fe2O3 was doped with the investigated metal oxides. Among these, iron‐alumina mixed oxide (FeAl) shows the highest specific surface area and pore volume. The H2‐TPR analysis indicated that most of the mixed metal oxides have lower reduction temperature, especially for iron‐ceria mixed oxide (FeCe). The reduction temperature of FeCe is around 500 °C, and its reduction peak shifts to a lower temperature and becomes narrower as compared to other iron‐containing mixed metal oxides. The steam catalytic cracking of coal tar at 550 °C showed that the light tar content (below 360 °C) over FeCe, FeCo, and FeAl are 68.5, 67.0, and 66.5 %, respectively. The increase of CO2 and H2 over iron‐containing mixed metal oxides suggested that oxygen species from iron‐containing mixed metal oxides and steam could participate in the steam catalytic cracking of coal tar.
An investigation on dissolutive wetting of porous urea surface
Authors: Basit Abdul , Siwayanan Parthiban , KuShaari KuZilati , Keong Lau Kok , Azeem Babar 
Published: March 2018

AbstractDissolutive spreading over a porous surface is a phenomenon involving spreading, penetration, as well as dissolution. Droplet spreading forms the basis of numerous industrial operations including the spray coating of urea fertilizer to produce slow release urea. The slow release characteristics of urea highly depend on the coating uniformity that can be achieved by sound knowledge of droplet spreading behaviour over the urea surface. Since numerous waterborne coating materials are being studied presently, dissolutive wetting of the urea surface has been investigated in the current work. Response surface methodology has been utilized to study the interactive effects of process parameters on the dissolutive wetting of an aqueous glycerin solution on a porous urea surface. The effect of impact velocity, surface porosity, and urea solubility has been investigated on three response objectives namely contact angle, spreading factor, and normalized residual drop volume. The results have been compared with an earlier work performed under similar conditions for non‐dissolutive wetting. The comparison reveals that dissolutive wetting shows lesser optimum contact angle (81 %) and greater optimum spreading factor (21 %) as compared to non‐dissolutive wetting.
Theoretical description of the motion of a particle in rotary dryer
Authors: Hellou Mustapha , Lominé Franck , Benhsine Ilham , Roques Yves 
Published: March 2018

AbstractThis paper presents a theoretical description of a particle motion in a rotary dryer equipped with straight lifters distributed on its periphery. In this configuration, the transport of granular materials occurs with cyclic cascades that can be decomposed into three phases: lifting, discharging, and falling into the air stream. In order to describe each of these phases, we have focused on the motion of a single particle in a rotating drum. In this condition, the analytical solution of the motion equation of each phase is found. With these solutions, the position and the velocity of the particle at any time are thus expressed as a function of physical parameters of the particle, physical parameters of the drum, and physical parameters of air in the drum, called operating parameters in practice. With these equations, we are able to calculate the behaviour of the particle as a function of the operating parameters. The transposition to the industrial context is made with an application. We show how these equations particularly permit the estimation of the Mean Residence Time (MRT) of material during the drying process as a function of operating parameters. Such estimations have been validated by comparison with experimental data of MRT found in the literature. The work presented in this paper gives some useful mathematical relations for whose who are interested in drum design optimization (lifter length, drum radius, drum length, etc.). More specifically, they can be used to help with the choice of operational parameters values that would achieve a given value of MRT for particular product.
Adsorption of 4,4′‐Dithiodipyridine Axially Coordinated to Iron(II) Phthalocyanine on Au(111) as a New Strategy for Oxygen Reduction Electrocatalysis
Authors: Herrera Santiago , Tasca Federico , Williams Federico J. , Calvo Ernesto J. 
Published: March 2018

AbstractThe coordination of PySSPy to FePc was monitored by UV/Vis spectroscopy while the adsobed FePc, anchored by PyS−Au(111), was examined by in situ STM in 0.1 M HClO4 and X‐ray photoelectron spectroscopy (XPS). Rotating‐disc‐electrode (RDE) and linear‐sweep‐voltammetry (LSV) studies on the resulting FePc‐modified Au(111) electrodes in an oxygen‐saturated 0.1 M NaOH electrolyte exhibit excellent electrocatalytic properties for the oxygen reduction reaction (ORR), with a smaller overpotential than that observed for Au(111) with FePc deposited by direct adsorption from a benzene solution.
The Robustness of the Corporate Social and Financial Performance Relation: A Second‐Order Meta‐Analysis
Authors: Busch Timo , Friede Gunnar 
Published: March 2018

AbstractFor many decades, there has been a debate about the relation between corporate social/environmental performance (CSP) and corporate financial performance (CFP). Our study presents a review of academic research on this topic by applying a second‐order meta‐analysis. The data sample combines 25 previous meta‐analyses yielding a sample size of one million observations. Our results demonstrate a highly significant, positive, robust, and bilateral CSP‐CFP relation. The relation is positive regardless of whether firms focus on ecological or social aspects, though corporate reputation turns out to be a key CSP determinant. We find a particularly strong CSP‐CFP relation for operational CFP. Furthermore, we add a new perspective on potential biases resulting from the studies’ publishing source: social issues‐oriented journals and methodological weaker papers do not distort the positive CSP‐CFP relation. Our conclusion is: Based on the extant literature, the business case for being a good firm is undeniable. © 2018 The Authors. Corporate Social Responsibility and Environmental Management published by ERP Environment and John Wiley & Sons Ltd.
Combined DFT and Differential Electrochemical Mass Spectrometry Investigation of the Effect of Dopants in Secondary Zinc–Air Batteries
Authors: Lysgaard Steen , Christensen Mathias K. , Hansen Heine A. , García Lastra Juan Maria , Norby Poul , Vegge Tejs 
Published: March 2018

AbstractZinc–air batteries offer the potential of low‐cost energy storage with high specific energy, but at present secondary Zn–air batteries suffer from poor cyclability. To develop economically viable secondary Zn–air batteries, several properties need to be improved: choking of the cathode, catalyzing the oxygen evolution and reduction reactions, limiting dendrite formation and suppressing the hydrogen evolution reaction (HER). Understanding and alleviating HER at the negative electrode in a secondary Zn–air battery is a substantial challenge, for which it is necessary to combine computational and experimental research. Here, we combine differential electrochemical mass spectrometry (DEMS) and density functional theory (DFT) calculations to investigate the fundamental role and stability when cycling in the presence of selected beneficial additives, that is, In and Bi, and Ag as a potentially unfavorable additive. We show that both In and Bi have the desired property for a secondary battery, that is, upon recharging they will remain on the surface, thereby retaining the beneficial effects on Zn dissolution and suppression of HER. This is confirmed by DEMS, where it is observed that In reduces HER and Bi affects the discharge potential beneficially compared to a battery without additives. Using a simple procedure based on adsorption energies calculated with DFT, it is found that Ag suppresses OH adsorption, but, unlike In and Bi, it does not hinder HER. Finally, it is shown that mixing In and Bi is beneficial compared to the additives by themselves as it improves the electrochemical performance and cyclic stability of the secondary Zn–air battery.
The impact of weight suppression and weight loss speed on baseline clinical characteristics and response to treatment
Authors: Solmi Marco , Gallicchio Davide , Collantoni Enrico , Meneguzzo Paolo , Zanetti Tatiana , Degortes Daniela , Tenconi Elena , Bonello Elisa , Veronese Angela , Ronzan Andrea , Favaro Angela 
Published: March 2018

AbstractObjectiveGrowing evidence suggests an impact of weight suppression (WS) on severity and course of symptoms in patients with eating disorders (ED), but no study explored also the role of the weight loss speed (WLS) together with WS on the same clinical variables, which is the aim of the present work.MethodA mixed cross‐sectional and longitudinal cohort study was employed. Four hundred and fourteen patients with anorexia nervosa (AN = 208) or bulimia nervosa (BN = 206) according to DSM‐5 criteria were recruited and assessed at referral by means of clinical interviews and self‐reported questionnaires. Body mass index and diagnostic status were re‐evaluated at the end of treatment.ResultsWS was positively correlated with body dissatisfaction in patients with AN (p = .005), but negatively correlated in BN (p = .022). In contrast, WLS was significantly inversely correlated with age and duration of illness in all ED (p < .001), and positively correlated with drive for thinness in BN (p = .007). After treatment, WS at intake predicted higher BMI increase in both AN and BN (p < .03), while higher WLS was significantly associated with a lower drop‐out rate in patients with BN (p = .02), and predicted BMI increase only in restricting AN patients (p = .02). In the whole group, WLS significantly predicted remission status (p = .039).DiscussionIn our study, both WS and WLS were associated with baseline “core” clinical variables and provided complementary abilities to predict weight gain and remission at the end of treatment. If replicated, our data suggest the importance of considering both WS and WLS as useful clinical variables in the baseline assessment of ED.
Out‐of‐sample equity premium prediction: A scenario analysis approach
Authors: Tang Xiaoxiao , Hu Feifang , Wang Peiming 
Published: March 2018

AbstractWe propose two methods of equity premium prediction with single and multiple predictors respectively and evaluate their out‐of‐sample performance using US stock data with 15 popular predictors for equity premium prediction. The first method defines three scenarios in terms of the expected returns under the scenarios and assumes a Markov chain governing the occurrence of the scenarios over time. It employs predictive quantile regressions of excess return on a predictor for three quantiles to estimate the occurrence of the scenarios over an in‐sample period and the transition probabilities of the Markov chain, predicts the expected returns under the scenarios, and generates an equity premium forecast by combining the predicted expected returns under three scenarios with the estimated transition probabilities. The second method generates an equity premium forecast by combining the individual forecasts from the first method across all predictors. For most of predictors, the first method outperforms the benchmark method of historical average and the traditional predictive linear regression with a single predictor both statistically and economically, and the second method consistently performs better than several competing methods used in the literature. The performance of our methods is further examined under different scenarios and economic conditions, and is robust for two different out‐of‐sample periods and specifications of the scenarios.
Selected Review of the Degradation of Pt and Pd‐based Carbon‐supported Electrocatalysts for Alkaline Fuel Cells: Towards Mechanisms of Degradation
Authors: Lafforgue C. , Zadick A. , Dubau L. , Maillard F. , Chatenet M. 
Published: March 2018

AbstractIt is usually believed that carbon‐supported electrocatalysts are stable in alkaline environment, owing to the better thermodynamics stability of many metals and oxides at high pH. By focusing on a selected literature review concerning Pt/C and Pd/C nanoparticles, and in particular from identical‐location transmission electron microscopy (ILTEM), it is demonstrated that this “common knowledge” is erroneous in aqueous alkaline electrolytes: both Pt/C and Pd/C suffer pronounced loss of electrochemical surface area (ECSA), and the latter is linked to the detachment of the metal nanoparticles from the carbon support. Raman and X‐ray photoelectron spectroscopy show that these severe degradations are neither linked to massive corrosion of the carbon support nor to an overall change in carbon chemistry, but instead to a very localized corrosion of the carbon in the vicinity of the metal nanoparticles, leading to nucleation and growth of solid carbonate (when the electrolyte contains alkali metal cations), which expels the metal nanoparticles from their support. The mechanisms and extent of degradation depend on the nature of the metal nanoparticles, but also on their texture and on the nature of the support onto which they are immobilized.
A multiple mediator analysis approach to quantify the effects of the ADH1B and ALDH2 genes on hepatocellular carcinoma risk
Authors: Shih Stephannie , Huang Yen‐Tsung , Yang Hwai‐I 
Published: March 2018

ABSTRACTPrevious work suggested a genetic component affecting the risk of hepatocellular carcinoma (HCC) and mediation analyses have elucidated potential indirect pathways of these genetic effects. Specifically, the effects of alcohol dehydrogenase (ADH1B) and aldehyde dehydrogenase (ALDH2) genes on HCC risk vary based on alcohol consumption habits. However, alcohol consumption may not be the only mediator in the identified pathway: factors related to alcohol consumption may contribute to the same indirect pathway. Thus, we developed a multimediator model to quantify the genetic effects on HCC risk through sequential dichotomous mediators under the counterfactual framework. Our method provided a closed form formula for the mediation effects through different indirect paths, which requires no assumption for the rarity of outcome. In simulation studies of a finite sample, we presented the utility of the method with the variance of the effects estimated using the delta method and bootstrapping. We applied our method to data from participants in Taiwan (580 cases and 3,207 controls) and quantified the mediation effects of single nucleotide polymorphisms (SNPs) in the ADH1B and ALDH2 genes on HCC through alcohol consumption (yes/no) and high alanine transaminase (ALT) levels (greater than or equal to 45 U/L or below 45 U/L). Assuming a dominant risk model, we identified that the SNPs’ effects through alcohol consumption is more significant than through ALT levels on HCC risk. This new method provides insight to the magnitude of various casual mechanisms as a closed form solution and can be readily applied in other genomic studies.
Severity of olfactory deficits is reflected in functional brain networks—An fMRI study
Authors: Reichert Johanna L. , Postma Elbrich M. , Smeets Paul A. M. , Boek Wilbert M. , de Graaf Kees , Schöpf Veronika , Boesveldt Sanne 
Published: March 2018

AbstractEven though deficits in olfactory function affect a considerable part of the population, the neuronal basis of olfactory deficits remains scarcely investigated. To achieve a better understanding of how smell loss affects neural activation patterns and functional networks, we set out to investigate patients with olfactory dysfunction using functional magnetic resonance imaging (fMRI) and olfactory stimulation. We used patients’ scores on a standardized olfactory test as continuous measure of olfactory function. 48 patients (mean olfactory threshold discrimination identification (TDI) score = 16.33, SD = 6.4, range 6 ‐ 28.5) were investigated. Overall, patients showed piriform cortex activation during odor stimulation compared to pure sniffing. Group independent component analysis indicated that the recruitment of three networks during odor stimulation was correlated with olfactory function: a sensory processing network (including regions such as insula, thalamus and piriform cortex), a cerebellar network and an occipital network. Interestingly, recruitment of these networks during pure sniffing was related to olfactory function as well. Our results support previous findings that sniffing alone can activate olfactory regions. Extending this, we found that the severity of olfactory deficits is related to the extent to which neural networks are recruited both during olfactory stimulation and pure sniffing. This indicates that olfactory deficits are not only reflected in changes in specific olfactory areas but also in the recruitment of occipital and cerebellar networks. These findings pave the way for future investigations on whether characteristics of these networks might be of use for the prediction of disease prognosis or of treatment success.
Expression of programmed death ligand 1 is associated with poor prognosis in myeloid sarcoma patients
Authors: Kawamoto Keisuke , Miyoshi Hiroaki , Suzuki Takaharu , Kiyasu Junichi , Yokoyama Shintaro , Sasaki Yuya , Sone Hirohito , Seto Masao , Takizawa Jun , Ohshima Koichi 
Published: March 2018

AbstractMyeloid sarcoma (MS) is a rare condition and is an extramedullary tumour of immature myeloid cells. It is now known that the programmed death 1 (PD‐1)/programmed death ligand 1 (PD‐L1) pathway suppresses the host antitumor responses and that these products are expressed on both tumour cells and tumour‐infiltrating cells in various malignancies. However, little is known about the significance of PD‐1/PD‐L1 expression on tumour cells and tumour microenvironmental cells in MS. To investigate the clinicopathological significance of PD‐1/PD‐L1 expression in MS, we analyzed 98 patients by immunohistochemistry. Of these, 10.2% of cases had neoplastic tumour cells positive for PD‐L1 (nPD‐L1+). However, the rate of nPD‐L1+ was <5% (range: 0.27 to 2.97%). On the other hand, PD‐L1 expression on 1 or more of stromal cells in the tumour microenvironment (miPD‐L1+) was observed in 37.8% of cases. Because all nPD‐L1+ cases expressed PD‐1 on less than 5% of tumour cells, we compared the miPD‐L1+ and miPD‐L1− groups. There was a correlation between miPD‐L1+ status and the number of PD‐1‐expressing tumour ‐infiltrating lymphocytes (PD‐1+ TILs; P = .0229). miPD‐L1+ was found to be associated with poorer overall survival and progression‐free survival (P = .00392, P = .00261, respectively). Multivariate analysis also confirmed miPD‐L1+ to be an independent poor prognostic factor. In conclusion, our study indicated that the immunotherapy blocking the PD‐1/PD‐L1 pathway may improve the clinical outcome of MS.
CD200 included in a 4‐marker modified Matutes score provides optimal sensitivity and specificity for the diagnosis of chronic lymphocytic leukaemia
Authors: D'Arena Giovanni , Vitale Candida , Rossi Giovanni , Coscia Marta , Omedè Paola , D'Auria Fiorella , Statuto Teodora , Valvano Luciana , Ciolli Stefania , Gilestro Milena , Molica Stefano , Bellesi Silvia , Topini Giuseppe , Panichi Valentina , Autore Francesco , Innocenti Idanna , Musto Pellegrino , Deaglio Silvia , Laurenti Luca , Del Vecchio Luigi 
Published: March 2018

AbstractCD200, a transmembrane type Ia glycoprotein belonging to the immunoglobulin superfamily, has been shown to have a differential expression in B‐cell neoplasms. Here, we retrospectively assessed the diagnostic relevance of CD200 on 427 patients with B‐cell chronic neoplasms in leukemic phase (median age, 69 y; range, 35‐97 y). The final diagnosis based on the investigator's assessment was chronic lymphocytic leukaemia (CLL) in 75% of cases and non‐CLL in 25% of cases. Sensitivity and specificity for the diagnosis of CLL (vs non‐CLL) were calculated for the following markers: CD200, CD5, CD22, CD23, CD79b, FMC7, and SmIg. CD23 was the only marker without a statistically significant difference between the investigator assessment and the flowcytometric analysis. The other markers were unable—when individually evaluated—to discriminate between CLL and non‐CLL, requiring the integration into a scoring system. The modified score no. 1 (addition of CD200) showed superimposable sensitivity and specificity compared with the Matutes score. The substitution of CD79b (modified score no. 2), surface membrane immunoglobulins (SmIg) (modified score no. 3), and CD79b and FMC7 (modified score no. 4) with CD200 showed that only the modified score no. 4 had both higher sensitivity and higher specificity compared with standard Matutes score. In conclusion, this work defines a simplified score, compared with the classical Matutes score, for the differential diagnosis of chronic B‐cell leukaemia—which only requires 4 markers instead of 5 (CD5, CD23, CD200, and SmIg).