bluuebunny/crossref_metadata_2025_split huggingface dataset:
Genetic variants in the liver kinase B1‐AMP‐activated protein kinase pathway genes and pancreatic cancer risk
Authors: Xu Xinyuan , Qian Danwen , Liu Hongliang , Cruz Diana , Luo Sheng , Walsh Kyle M. , Abbruzzese James L. , Zhang Xuefeng , Wei Qingyi 
Published: April 2019

AbstractThe liver kinase B1‐AMP‐activated protein kinase (LKB1‐AMPK) pathway has been identified as a new target for cancer therapy, because it controls the glucose and lipid metabolism in response to alterations in nutrients and intracellular energy levels. In the present study, we aimed to identify genetic variants of the LKB1‐AMPK pathway genes and their associations with pancreatic cancer (PanC) risk using 15 418 participants of European ancestry from two previously published PanC genome‐wide association studies. We found that six novel tagging single‐nucleotide polymorphisms (SNPs) (i.e, MAP2 rs35075084 T > deletion, PRKAG2 rs2727572 C > T and rs34852782 A > deletion, TP53 rs9895829 A > G, and RPTOR rs62068300 G > A and rs3751936 G > C) were significantly associated with an increased PanC risk. The multivariate logistic regression model incorporating the number of unfavorable genotypes (NUGs) with adjustment for age and sex showed that carriers with five to six NUGs had an increased PanC risk (odds ratio = 1.24, 95% confidence interval = 1.16‐1.32 and P < 0.0001), compared to those with zero to four NUGs. Subsequent expression quantitative trait loci (eQTL) analysis further revealed that these SNPs were associated with significantly altered mRNA expression levels either in 373 normal lymphoblastoid cell lines (TP53 SNP rs9895829, P < 0.05) or in whole blood cells of 369 normal donors from the genotype‐tissue expression project (GTEx) database [RPTOR SNP rs60268947 and rs28434589, both in high linkage disequilibrium (r2 > 0.9) withRPTOR rs62068300, P < 0.001]. Collectively, our findings suggest that these novel SNPs in the LKB1‐AMPK pathway genes may modify susceptibility to PanC, possibly by influencing gene expression.
Optimising the tension of an autologous fascia pubovaginal sling to minimize retentive complications
Authors: Preece Patrick D. , Chan Garson , O'Connell Helen E. , Gani Johan 
Published: April 2019

AbstractAimTo determine the optimal degree of pubovaginal slings (PVS) tension, measured by lax sling dimensions to minimize the risk of urinary retention.MethodsThis prospective study analyzed female patients undergoing PVS for stress urinary incontinence (SUI) by two surgeons over 24 months from January 2016.Intra‐operative measurements of lax sling dimensions tented over rectus fascia were recorded. Logistic regression was used to analyse the likelihood of urinary retention (more than 3 months of intermittent self‐catheterisation (ISC) or surgical revision) for given PVS dimensions. The secondary analysis assessed for an association between PVS measurements and persistent SUI.ResultsFifty‐one patients were recruited with a median age of 53 (34‐78) and follow‐up of 11 (3‐20) months. All but one patient reported improvement of SUI. Ten (19.6%) patients developed postoperative urinary retention. Five (9.8%) resolved after a temporary period of ISC. The other five (9.8%) required ongoing ISC or sling division. A strong association existed between short sling height and prolonged urinary retention (P = 0.00). Receiver operating characteristic (ROC) curve analysis showed a sling height of 40 mm had a sensitivity of 100% and specificity of 51% for retentive complications (area under curve [AUC]  = 0.90). Lax sling height up to 60 mm was not associated with persistent SUI.ConclusionsStretching the sling suspension sutures at least 40 mm above the rectus fascia was associated with a lower risk of urinary retention than less than 40 mm. This simple technique would appear to be worth evaluating in a larger sample. A looser sling did not compromise the cure of SUI at a mean follow‐up of 11 months.
Mediterranean diet during pregnancy and childhood for asthma in children: A systematic review and meta‐analysis of observational studies
Authors: Zhang Yin , Lin Jilei , Fu Wenlong , Liu Sha , Gong Caihui , Dai Jihong 
Published: April 2019

AbstractObjectivesTo evaluate the relationship between high adherence to the Mediterranean diet in pregnancy and childhood and the risk of asthma and wheeze in children.MethodsWe conducted searches of PubMed, EMBASE, and Cochrane Central Register of Controlled Trials from inception to 30 October 2018. Observational studies providing risk estimates and corresponding confidence intervals on the association of high adherence to the Mediterranean diet in pregnancy or childhood and the risk of asthma or wheeze in childhood were included. The methodological quality of all included studies was assessed. Summary odds ratios (OR) were calculated using a random‐effects model.ResultsEighteen observational studies were included in this review. All studies were of moderate to high quality. The pooled data suggested high adherence to the Mediterranean diet during pregnancy was associated with a reduced incidence of wheeze in the first 12 months (OR, 0.92; 95% confidence interval [CI], 0.88‐0.95; P < 0.001), and there was an inverse association between the Mediterranean diet during childhood and the incidence of wheeze in the history (OR, 0.51; 95% CI, 0.37‐0.70; P = 0.001) and current wheeze (OR, 0.97; 95% CI, 0.95‐0.99; P = 0.013). However, there was no significant association between high adherence of the Mediterranean diet in pregnancy and childhood and any of the other meta‐analysis end points including diagnosed asthma.ConclusionHigh adherence to the Mediterranean diet during pregnancy and childhood may have short‐term effects on wheeze in children in early life. However, these findings should be interpreted with caution owing to the heterogeneity of the studies.
A Novel Ni/NiF2‐AlF3 Catalyst with Mild‐Strength Lewis Acid Sites for Dehydrofluorination of 1, 1, 1, 2‐Tetrafluoroethane to Synthesize Trifluoroethylene
Authors: Xi Zhiwen , Liu Xing , Li Junhui , Yuan Juanjuan , Jia Wenzhi , Liu Xinhua , Liu Min , Zhu Zhirong 
Published: April 2019

AbstractA novel Ni/NiF2‐AlF3 catalyst was prepared by impregnation and following vapor hydrofluorination, and it was used to dehydrofluorination of tetrafluoroethane to trifluoroethylene. BET, SEM, XRD, XPS, NH3‐TPD and Py‐IR techniques were employed to characterize the Ni/NiF2‐AlF3 catalysts. Based on the NH3‐TPD results, it was interestingly found that the strong acidic sites of Ni/NiF2‐AlF3 catalyst transformed into the mid‐strength acidic sites with the increase of Ni loading, attributing to the roles of Ni on the catalyst surface. Compared with the NiF2‐AlF3 catalyst, the added Ni particles can improve the catalyst activity and stability for dehydrofluorination of 1, 1, 1, 2‐tetrafluoroethane. The best performance was obtained at Al/Ni=2 over the Ni/NiF2‐AlF3 catalyst, with high trifluoroethylene selectivity(99%) and CF3CFH2 conversion of 21.3%, after the reaction for 20 h on‐time stream at 500 °C, which showed the better application possibility as a heterogeneous dehydrofluorination catalyst. It was suggested that catalytic performance was related with the mid‐strength Lewis acidity on the catalyst surface. And the Ni/NiF2‐AlF3 catalyst (Al/Ni=2) possessed the good catalytic stability due to the mild‐strength Lewis acid sites.
First Report on 3‐(3‐oxoaryl) Indole Derivatives as Anticancer Agents: Microwave Assisted Synthesis, In Vitro Screening and Molecular Docking Studies
Authors: Patel Tarun , Gaikwad Ruchi , Jain Kavita , Ganesh Routholla , Bobde Yamini , Ghosh Balaram , Das Kalpataru , Gayen Shovanlal 
Published: April 2019

AbstractIn this study ZrCl4 was identified as an efficient Lewis acid catalyst for the synthesis of 3‐(3‐oxoaryl) indole derivatives via microwave assisted Michael addition of 2‐phenylindole with chalcones under solvent‐free condition. The reaction proceeds smoothly with high efficiency under green reaction condition to afford a range of 3‐(3‐oxoaryl) indole derivatives exclusively within a short period of time in excellent yields. The synthesized compounds have shown promising in vitro anticancer activity against murine melanoma (B16F10) and human breast cancer (MCF7) cell lines. Molecular docking analysis showed that this type of indole derivatives may act as anticancer agents through the inhibition of tubulin polymerization.
Biomass‐Derived Lignocellulosic Graphene Composite: Novel Approach for Removal of Oil and Organic Solvent
Authors: Kulal Dnyaneshwar K. , Khose Rahul V. , Pethsangave Dattatray A. , Wadekar Pravin H. , Some Surajit 
Published: April 2019

AbstractNovel approach to develop a biomass derived lignin‐cellulose based, ultra‐light, hydrophobic graphene supported spongy composite was synthesized to absorb oil and organic solvents from wastewater. Spongy composite was synthesized by a facile and highly efficient one‐pot hydrothermal method from the natural precursor. Lignin‐cellulose functionalized graphene (LCG) sponge was synthesized from graphene oxide (GO) and sugarcane waste powder (SCwP) in presence of natural latex. LCG successfully demonstrated separation of oil from oil‐water mixture. LCG has high oil sorption capacity in the range of 25–50 g of oil per gram of sorbent. This material showed high efficiency as a sorbent to separate organic chemicals from wastewater. The absorption capacity of LCG sponge was enhanced thrice in comparison with SCwP and could be reused up to 10 cycles. The continuous oil water separation process was demonstrated using LCG sponge from the oil‐water mixture, which can be applied for large scale oil recovery from the waste stream.
Synthesis of Anatase TiO2 Nanocrystals with Defined Morphologies from Exfoliated Nanoribbons: Photocatalytic Performance and Application in Dye‐sensitized Solar Cell
Authors: Du Yi‐en , Niu Xianjun , Bai Yang , Qi Hongxue , Guo Yanqing , Chen Yongqiang , Wang Pengfei , Yang Xiaojing , Feng Qi 
Published: April 2019

AbstractRutile/anatase TiO2 nanocrystals with various morphologies and exposed crystal facets, have been successfully synthesized by a facile hydrothermal strategy in the absence of fluorine and organic capping surfactants. The samples were characterized by X‐ray diffraction (XRD), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), and high‐resolution transmission electron microscopy (HRTEM). Furthermore, the transformation mechanism, photocatalytic performances, adsorption properties, and photovoltaic performances of the anatase TiO2 nanocrystals with different morphologies and crystal facets were also investigated systematically and discussed, and compared to the Degussa P25 TiO2 nanocrystals. The results indicated that the anatase TiO2 nanospindles (pH 7.0‐T180) with dominantly exposed {010} facets exhibited the highest photocatalytic activity, adsorption property, and photovoltaic performance.
Development of Highly Efficient Dual Sensor Based on Carbon Dots for Direct Estimation of Iron and Fluoride Ions in Drinking Water
Authors: Sarkar Probir Kumar , Kar Prasenjit , Halder Animesh , Lemmens Peter , Pal Samir Kumar 
Published: April 2019

AbstractThe fluorescent nanomaterial carbon dots (CDs) have attracted tremendous attention in the recent times because of their unique physico‐chemical characteristics. Highly fluorescent CDs were prepared through a simple and nontoxic one‐step hydrothermal carbonization of polyvinylpyrrolidone (PVP). The as‐synthesised CDs, without any pre‐treatments or post‐treatments, show high stability over a broad pH range and have an excellent potential in chemical sensing applications. The as‐prepared CDs have been demonstrated to be an excellent nano probe for Fe3+ ions sensing in aqueous media based on the fluorescence quenching with high sensitivity (lower limit of detection ∼ 1 μM) and selectivity towards Fe3+ ions. “Turn off” fluorescence arises due to the formation of CDs‐Fe3+ nanocomposite complex in the solution. The nanocomposite complex forms by the attachment of Fe3+ ions to the surface emissive site of the CDs, resulting in an obvious fluorescence quenching. Here, CDs itself act as a promising nano carrier for loading of Fe3+ ions to form the CDs‐Fe3+ nanocomposite complex in the solution. In addition to all, in this study we are intensely focused to explore the application of CDs‐Fe3+ nanocomposite complex. We have used the CDs‐Fe3+ nanocomposite complex as a novel sensor probe for the detection of F‐ ions in aqueous media based on “Turn on” fluorescence mechanism. “Turn on” fluorescence occurs due to the formation of thermodynamically highly stable [FeF6]3‐ complex and bare CDs in the solution. The developed sensor has high sensitivity (lower limit of detection ∼ 1 μM) and selectivity towards F‐ ions over a wide‐ranging other competing anions. Finally, we successfully demonstrate the real life application of the developed sensor by estimating the trace F‐ ions in the real world drinking water samples.
Molecular Structure, DFT, Vibrational Spectra with Fluorescence Effect, Hirshfeld Surface, Docking Simulation and Antioxidant Activity of Thiazole Derivative
Authors: Khamees Hussien A. , Mohammed Yasser H. E. , Swamynayaka Ananda , Al‐Ostoot Fares H. , Sert Yusuf , Alghamdi Saad , Khanum Shaukath A. , Madegowda Mahendra 
Published: April 2019

Abstract2‐(4‐methylphenoxy)‐N‐(4‐(4‐bromophenyl) thiazol‐2‐yl) acetamide compound was obtained via a multistep synthesis sequence processes, which is characterized by 1H NMR, 13C NMR and its three‐dimensional structure has been confirmed by single crystal X‐ray diffraction method. The supramolecular structure of the molecule revealed the stability of crystal packing with diverse intermolecular interactions. Density functional theory calculations (DFT) at B3LYP 6–311++G(d,p) level has been used to predict the molecular geometry and were in good agreement with the experimental data. Moreover, the theoretical calculations were carried out to appraise the electronic structure, vibrational spectra, natural bond orbital analysis, molecular electrostatic potential, frontier molecular orbitals and global reactivity descriptors. Raman spectra with fluorescence effect was examined with visible and near IR excitation wavelengths. Hirshfeld surface and energy framework analysis revealed the important intermolecular contacts and interaction energies. The antioxidant activity of this synthesized compound was predicted by in silico docking study on human peroxiredoxin 5 protein. The potential antioxidant activity was investigated by 1,1‐diphenyl‐1‐picrylhydrazyl (DPPH) free radical screening and compared with standard drug ascorbic acid.
Preparation of 3D nanostructured MnCo2S4 as a robust electrocatalyst for overall water splitting
Authors: Hou Bin , Fu Jianpeng , Su Hui , Du Xiaoqiang 
Published: April 2019

AbstractThe exploitation and use of efficient and inexpensive electrochemical catalysts accelerate overall water splitting, which rapidly produces oxygen and hydrogen. In this work, MnCo2S4 is grown on nickel foam by a two‐step method, hydrothermal and sulfuration method. Experiments have shown that the resulting MnCo2S4/NF exhibits a low overpotential of 310 mV to achieve a current density of 50 mA cm−2 in 1.0 M potassium hydroxide for oxygen evolution reaction (OER). In addition, the MnCo2S4/NF exhibits a low overpotential of only 167 mV at 10 mA cm−2 for hydrogen evolution reaction (HER). Furthermore, MnCo2S4/NF is acted as a bifunctional water splitting catalyst, and in 1.0 M potassium hydroxide, in order to maintain a current of 10 mA cm−2, a low battery voltage of 1.61 V is required. The nanostructure, which provides a large specific surface area, which in turn increases the reactive sites, facilitates contact of large areas of water with the catalyst, and rapid transfer of electrons. At the same time, through a series of characterization (XRD, SEM and XPS), it is proved that the catalyst is efficient and stable under alkaline condition.
Synthesis of Ferrocene Tethered Heteroaromatic Compounds Using Solid Supported Reaction Method, their Cytotoxic Evaluation and Fluorescence Behavior.
Authors: Dewangan Smriti , Mishra Sasmita , Mawatwal Shradha , Dhiman Rohan , Parida Rakesh , Giri Santanab , Wölper Christoph , Chatterjee Saurav 
Published: April 2019

AbstractSynthesis of ferrocene conjugated heterocyclic molecular systems involving three different heterocyclic moieties like indole, quinoline and pyrazine was carried out in high yields using redmud as solid support.Their cytotoxic properties against RAW 264.7 cancer cell lines shows excellent inhibitory activity for indole and quinoline based molecular system, while significant antibacterial activity was shown by the pyrazinyl‐ferrocene conjugate.Compound 2 was structurally characterized using single crystal X‐ray diffraction study and shows the presence of chiral conformation forming a racemate within the asymmetric unit.The fluorescence response of 1–3 was investigated and their unique quenching behavior upon ferrocenyl oxidation was studied for application related to bio‐signaling and sensor based properties.The quenching behavior of 1 and 2 was supported by DFT calculation which revealed some interesting features related to electron transfer processes.
Precise Surface Engineering of Cathode Materials for Improved Stability of Lithium‐Ion Batteries
Authors: Liu Yuan , Lin Xi‐Jie , Sun Yong‐Gang , Xu Yan‐Song , Chang Bao‐Bao , Liu Chun‐Tai , Cao An‐Min , Wan Li‐Jun 
Published: April 2019

AbstractAs lithium‐ion batteries continue to climb to even higher energy density, they meanwhile cause serious concerns on their stability and reliability during operation. To make sure the electrode materials, particularly cathode materials, are stable upon extended cycles, surface modification becomes indispensable to minimize the undesirable side reaction at the electrolyte–cathode interface, which is known as a critical factor to jeopardizing the electrode performance. This Review is targeted at a precise surface control of cathode materials with focus on the synthetic strategies suitable for a maximized surface protection ensured by a uniform and conformal surface coating. Detailed discussions are taken on the formation mechanism of the designated surface species achieved by either wet‐chemistry routes or instrumental ones, with attention to the optimized electrochemical performance as a result of the surface control, accordingly drawing a clear image to describe the synthesis–structure–performance relationship to facilitate further understanding of functional electrode materials. Finally, perspectives regarding the most promising and/or most urgent developments for the surface control of high‐energy cathode materials are provided.
Characteristics of aerosol pollution in the vicinity of an oil refinery near Rijeka, Croatia
Authors: Čargonja Marija , Mekterović Darko , Mance Diana , Žauhar Gordana , Bogdanović Radović Iva , Zamboni Ivana 
Published: April 2019

Fine aerosol pollution is one of the most important factors in air pollution monitoring. Industrial production often represents significant source of aerosol pollution in surrounding areas, and therefore, it is important to understand its impact on air quality. In order to investigate contribution coming from the oil refinery to air pollution, PM2.5 (particulate matter with aerodynamic diameter smaller than 2.5 μm) samples were collected in the vicinity of an oil refinery during the 1‐year period. At the same time, PM2.5 was sampled in the city of Rijeka, Croatia, at the distance that is about 10 km far from the refinery. This site was used for comparison. The sampling was performed with two cyclone samplers on thin polytetrafluoroethylene filters. PM2.5 was sampled for 24 h every other day, simultaneously at both locations. In total, 306 samples were collected. The samples were analysed using X‐ray fluorescence and particle‐induced X‐ray emission to obtain concentrations of 17 elements from Na to Pb. Additionally, concentrations of black carbon were determined using laser‐integrated plate method. It was found that concentrations of S, V, and Ni, elements characteristic for oil burning, were substantially higher at the refinery sampling site comparing to the reference location. Obtained concentrations were statistically evaluated by performing positive matrix factorization to identify oil refinery as one of the pollution sources in the vicinity of such a facility. The same method was also performed at the urban site where the contribution from oil refinery was not separated from other similar sources.
Effect of wind turbine nacelle on turbine wake dynamics in large wind farms
Authors: Foti Daniel , Yang Xiaolei , Shen Lian , Sotiropoulos Fotis 
Published: April 2019

Wake meandering, a phenomenon of large-scale lateral oscillation of the wake, has significant effects on the velocity deficit and turbulence intensities in wind turbine wakes. Previous studies of a single turbine (Kang et al., J. Fluid. Mech., vol. 774, 2014, pp. 374–403; Foti et al., Phys. Rev. Fluids, vol. 1 (4), 2016, 044407) have shown that the turbine nacelle induces large-scale coherent structures in the near field that can have a significant effect on wake meandering. However, whether nacelle-induced coherent structures at the turbine scale impact the emergent turbine wake dynamics at the wind farm scale is still an open question of both fundamental and practical significance. We take on this question by carrying out large-eddy simulation of atmospheric turbulent flow over the Horns Rev wind farm using actuator surface parameterisations of the turbines without and with the turbine nacelle taken into account. While the computed mean turbine power output and the mean velocity field away from the nacelle wake are similar for both cases, considerable differences are found in the turbine power fluctuations and turbulence intensities. Furthermore, wake meandering amplitude and area defined by wake meanders, which indicates the turbine wake unsteadiness, are larger for the simulations with the turbine nacelle. The wake influenced area computed from the velocity deficit profiles, which describes the spanwise extent of the turbine wakes, and the spanwise growth rate, on the other hand, are smaller for some rows in the simulation with the nacelle model. Our work shows that incorporating the nacelle model in wind farm scale simulations is critical for accurate predictions of quantities that affect the wind farm levelised cost of energy, such as the dynamics of wake meandering and the dynamic loads on downwind turbines.
Existence of Dual Solutions and Melting Phenomenon in Unsteady Nanofluid Flow and Heat Transfer over a Stretching Surface
Authors: Ghosh S. , Mukhopadhyay S. , Vajravelu K. 
Published: April 2019

ABSTRACTThe problem of unsteady boundary layer flow of a nanofluid over a stretching surface is studied. Heat transfer due to melting is analyzed. Using a similarity transformation the governing coupled nonlinear partial differential equations of the model are reduced to a system of nonlinear ordinary differential equations, and then solved numerically by a Runge-Kutta method with a shooting technique. Dual solutions are observed numerically and their characteristics are analyzed. The effects of the pertinent parameters such as the acceleration parameter, the Brownian motion parameter, the thermophoresis parameter, the Prandtl number and the Lewis number on the velocity, temperature and concentration fields are discussed. Also the effects of these parameters on the skin friction coefficient, the Nusselt number and the Sherwood number are analyzed through graphs. It is observed that the melting phenomenon has a significant effect on the flow, heat and mass transfer characteristics.