bluuebunny/crossref_metadata_2025_split huggingface dataset:
Palladium Nanoparticles Supported on a Metal–Organic Framework‐Partially Reduced Graphene Oxide Hybrid for the Catalytic Hydrodeoxygenation of Vanillin as a Model for Biofuel Upgrade Reactions
Authors: Ibrahim Amr Awad , Lin Andrew , Zhang Fumin , AbouZeid Khaled M. , El‐Shall M. Samy 
Published: November 2016

AbstractIn this work we report a new strategy to enhance the catalytic activity and selectivity in heterogeneous catalysis by using a hybrid support that consists of metal–organic framework (MOF) crystals and partially reduced graphene oxide (PRGO) nanosheets to disperse metal nanoparticle catalysts efficiently. We report the development of a Pd nanocatalyst incorporated within a 3 D hierarchical nanocomposite that consists of a Ce‐based MOF wrapped with thin PRGO nanosheets, Pd/PRGO/Ce‐MOF, as a heterogeneous tandem catalyst for the hydrodeoxygenation of vanillin, a common component in lignin‐derived bio‐oil, under mild reaction conditions. Our results demonstrate that the PRGO/Ce‐MOF hybrid scaffold is an excellent support for Pd nanoparticles for the transformation of vanillin into 2‐methoxy‐4‐methyl phenol, an important high‐value phenol compound that can be used directly in the chemical and pharmaceutical industries. The high catalytic performance of the Pd/PRGO/Ce‐MOF catalyst is attributed to the unique characteristics of the incorporation of the PRGO support that leads not only to a stable and uniform dispersion of the Pd nanoparticles but also to the presence of acidic active sites that promote the hydrogenolysis reaction.
Well‐Defined Cesium Benzotriazolide as an Active Catalyst for Generating Disubstituted Ureas from Carbon Dioxide and Amines
Authors: Truong Cong Chien , Kim Jin , Lee Yunho , Kim Yong Jin 
Published: November 2016

AbstractThe reaction of alkali metal carbonates with various azole compounds produced a new series of alkali metal azolides, and they were applied as active catalysts for the production of disubstituted ureas from the carboxylation of various amines with CO2. Among them, cesium benzotriazolide (Cs[BTd]) was found to be the most active for the carboxylation reaction and was structurally characterized by single‐crystal X‐ray diffraction. The crystal structure of highly hygroscopic Cs[BTd] was found to be [BTA]⋅⋅⋅Cs[BTd], which explains why it is a water‐tolerant active species for this carboxylation reaction, leading to a maximum turnover frequency of 344 h−1 as well as high recyclability even after five successive runs.
From Packed “Sandwich” to “Russian Doll”: Assembly by Charge‐Transfer Interactions in Cucurbit[10]uril
Authors: Gong Wanjun , Yang Xiran , Zavalij Peter Y. , Isaacs Lyle , Zhao Zhiyong , Liu Simin 
Published: November 2016

AbstractAs the host possessing the largest cavity in the cucurbit[n]uril (CB[n]) family, CB[10] has previously displayed unusual recognition and assembly properties with guests but much remains to be explored. Herein, we present the recognition properties of CB[10] toward a series of bipyridinium guests including the tetracationic cyclophane known as blue box along with electron‐rich guests and detail the influence of encapsulation on the charge‐transfer interactions between guests. For the mono‐bipyridinium guest (methylviologen, MV2+), CB[10] not only forms 1:1 and 1:2 inclusion complexes, but also enhances the charge‐transfer interactions between methylviologen and dihydroxynaphthalene (HN) by mainly forming the 1:2:1 packed “sandwich” complex (CB[10]⋅2 MV2+⋅HN). For guest 1 with two bipyridinium units, an interesting conformational switching from linear to “U” shape is observed by adding catechol to the solution of CB[10] and the guest. For the tetracationic cyclophane‐blue box, CB[10] forms a stable 1:1 inclusion complex; the two bipyridinium units tilt inside the cavity of CB[10] according to the X‐ray crystal structure. Finally, a supramolecular “Russian doll” was built up by threading a guest through the cavities of both blue box and CB[10].
Total Synthesis of Aquayamycin
Authors: Kusumi Shunichi , Nakayama Harunobu , Kobayashi Takumi , Kuriki Hajime , Matsumoto Yuka , Takahashi Daisuke , Toshima Kazunobu 
Published: November 2016

AbstractAn efficient and practical total synthesis of aquayamycin has been accomplished. The highly oxidized and stereochemically complex tetracyclic ring system was constructed using three key reactions: 1) highly diastereoselective 1,2‐addition of C‐glycosyl naphthyllithium to a cyclic ketone, 2) indium‐mediated site‐selective allylation‐rearrangement sequence of naphthoquinone, and 3) diastereoselective intramolecular pinacol coupling. This synthetic strategy offers a novel and efficient pathway to prepare aquayamycin‐type angucycline antibiotics.
Redefining the Phenotype of Heat Shock Protein 90 (Hsp90) Inhibitors
Authors: Wang Yao , Koay Yen Chin , McAlpine Shelli R. 
Published: November 2016

AbstractThe phenotypes produced when cells are treated with the heat shock protein 90 (Hsp90) inhibitors AUY922 or 17‐AAG (classical inhibitors) are different to those produced when cells are knocked down with Hsp90α. Pull‐down assays using classical inhibitors suggest that these molecules bind to multiple targets other than Hsp90. Classical inhibitors also induce similar protein markers as other anti‐cancer therapies cisplatin and bortezomib that do not target Hsp90. Together these data suggest that AUY922 and 17‐AAG acts on multiple targets and likely kills cells through multiple mechanisms. Comparing these classical inhibitors to the effects seen when treating cells with C‐terminal Hsp90 modulators reveals that C‐terminal modulators effectively bind to Hsp90, and induce phenotypic markers consistent with the Hsp90α CRISPR knockdown data. Our findings challenge the current interpretation of Hsp90 inhibitors and suggest that a large body of literature that describes the Hsp90 phenotype and inhibitors is re‐examined in this context.
Equilibrium condition and stabilization kinetics of lactic acid oligomers in aqueous solutions
Authors: Frattari Sara , Gironi Fausto , Sabia Rocchina , Villani Claudio 
Published: November 2016

Lactic acid is one of the most important compounds in the field of bio‐renewable chemicals. Lactic acid is present in nature but can also be produced by chemical synthesis or by fermentation of biomass. It can be used as raw material for the production of biodegradable and environmentally friendly polymers or copolymers, such as poly lactic acid (PLA).In this work, the equilibrium distribution of monomer and low molecular weight oligomers of lactic acid in aqueous solutions at different overall concentrations of lactic acid (from 0.09 g/g to 0.94 g/g) and temperatures (423 K and 453 K), was investigated.In addition, a kinetic study of monomer and oligomer esterification reactions, of a lactic acid aqueous solution at about 0.09 g/g, was carried out at 423, 433, 443, and 453 K. The values of the kinetic constants were successfully correlated through Arrhenius’ law.
Metabolic syndrome and risk of esophageal adenocarcinoma in elderly patients in the United States: An analysis of SEER‐Medicare data
Authors: Drahos Jennifer , Ricker Winnie , Pfeiffer Ruth M. , Cook Michael B. 
Published: November 2016

BACKGROUNDMetabolic syndrome (MetS) is associated with cancer risk and increases the risk of Barrett esophagus, which is the precursor lesion of esophageal adenocarcinoma (EA), primarily in the absence of gastroesophageal reflux disease (GERD). However, to the authors' knowledge, little is known regarding whether MetS is associated with the risk of EA.METHODSUsing the Surveillance, Epidemiology, and End Results (SEER)‐Medicare‐linked database, the authors evaluated whether MetS was associated with EA. A total of 3167 cases of EA were compared with individually matched population controls (5:1); a subset of 575 EA cases were able to be individually matched with 575 Barrett esophagus controls. MetS was defined using International Classification of Diseases, Ninth Revision, Clinical Modification (ICD‐9‐CM) codes in the period 1 to 3 years before the diagnosis of EA or control selection. Unconditional logistic regression was used to estimate adjusted odds ratios and 95% confidence intervals. Potential effect modification by GERD symptoms and sex was examined in stratified models.RESULTSEA was found to be significantly associated with MetS (odds ratio, 1.16; 95% confidence interval, 1.06‐1.26) compared with population controls. In males, the association was restricted to those individuals without prior GERD; however, in females, MetS was found to be associated with EA regardless of GERD status. Effect modification by sex was observed (P for interaction = .01). MetS was not found to be associated with EA risk when compared with Barrett esophagus controls.CONCLUSIONSIn this older population, MetS was found to be associated with an increased risk of EA in males without GERD and females regardless of GERD status. Given the lack of an association when compared with Barrett esophagus controls, MetS may impact EA risk by primarily increasing the risk of the precursor lesion, Barrett esophagus. Cancer 2017;123:657–665. © 2016 American Cancer Society.
A novel approach to the quantification of aortic root in vivo structural mechanics
Authors: Votta E. , Presicce M. , Della Corte A. , Dellegrottaglie S. , Bancone C. , Sturla F. , Redaelli A. 
Published: November 2016

AbstractUnderstanding aortic root in vivo biomechanics can help in elucidating key mechanisms involved in aortic root pathologies and in the outcome of their surgical treatment. Numerical models can provide useful quantitative information. For this to be reliable, detailed aortic root anatomy should be captured. Also, since the aortic root is never unloaded throughout the cardiac cycle, the modeled geometry should be consistent with the in vivo loads acting on it. Achieving such consistency is still a challenge, which was tackled only by few numerical studies.Here we propose and describe in detail a new approach to the finite element modeling of aortic root in vivo structural mechanics. Our approach exploits the anatomical information yielded by magnetic resonance imaging by reconstructing the 3‐dimensional end‐diastolic geometry of the aortic root and makes the reconstructed geometry consistent with end‐diastolic loading conditions through the estimation of the corresponding prestresses field.We implemented our approach through a semiautomated modeling pipeline, and we applied it to quantify aortic root biomechanics in 4 healthy participants. Computed results highlighted that including prestresses into the model allowed for pressurizing the aortic root to the end‐diastolic pressure while matching the image‐based ground truth data. Aortic root dynamics, tissues strains, and stresses computed at relevant time points through the cardiac cycle were consistent with a broad set of data from previous computational and in vivo studies, strongly suggesting the potential of the method. Also, results highlighted the major role played by the anatomy in driving aortic root biomechanics.
A Hydrogen‐Evolving Hybrid‐Electrolyte Battery with Electrochemical/Photoelectrochemical Charging from Water Oxidation
Authors: Jin Zhaoyu , Li Panpan , Xiao Dan 
Published: November 2016

AbstractDecoupled hydrogen and oxygen production were successfully embedded into an aqueous dual‐electrolyte (acid–base) battery for simultaneous energy storage and conversion. A three‐electrode configuration was adopted, involving an electrocatalytic hydrogen‐evolving electrode as cathode, an alkaline battery‐type or capacitor‐type anode as shuttle, and a charging‐assisting electrode for electro‐/photoelectrochemically catalyzing water oxidation. The conceptual battery not only synergistically outputs electricity and chemical fuels with tremendous specific energy and power densities, but also supports various approaches to be charged by pure or solar‐assisted electricity.
Associations of event‐scale flow hydrology with fish richness in urbanizing Canadian watersheds of Lake Ontario
Authors: Trudeau M.P. , Morin A. 
Published: November 2016

AbstractUrbanization is associated with declines in aquatic biodiversity and changes to flow regimes. This empirical research examined high temporal resolution (15 min) hydrologic records and associations with fish species richness in eight river systems in the Toronto region, Canada. The dataset spanned approximately five decades and covered the annual post‐freshet period to mid‐November. The high‐temporal resolution flow records allowed estimation of flow acceleration (a measure of the rate of change in flow) in response to rain events. Maximum rising limb event flow acceleration and skew in instantaneous runoff explained a higher proportion of variation than percent urban land use in empirical models with long‐term fish records. Models fit using only the most recent decade of records did not produce the same results, likely indicating that analyses of flow with fish diversity require sufficient range in flow conditions for the statistical signals to be detected. Historic fish data are difficult to obtain and pose analytical challenges due to bias and inconsistent collection methods. Despite the data limitations, the study results point to the need for more research into potential causal factors contributing to negative fish richness in urbanizing watercourses with periods of high flow acceleration.
A field‐based parameterization of wind flow recovery in the lee of dryland plants
Authors: Mayaud Jerome R. , Wiggs Giles F.S. , Bailey Richard M. 
Published: November 2016

AbstractWind erosion is a key component of land degradation in vulnerable dryland regions. Despite a wealth of studies investigating the impact of vegetation and windbreaks on windflow in controlled wind‐tunnel and modelling environments, there is still a paucity of empirical field data for accurately parameterizing the effect of vegetation in wind and sediment transport models. The aim of this study is to present a general parameterization of wind flow recovery in the lee of typical dryland vegetation elements (grass clumps and shrubs), based on their height (h) and optical porosity (θ). Spatial variations in mean wind velocity around eight isolated vegetation elements in Namibia (three grass clumps and five shrubs) were recorded at 0.30 m height, using a combination of sonic and cup anemometry sampled at a temporal frequency of 10 seconds. Wind flow recovery in the lee of the elements was parameterized in an exponential form,
. The best‐fit parameters derived from the field data were u0 = uref(0.0146θ − 0.4076) and b = 0.0105θ + 0.1627. By comparing this parameterization to existing models, it is shown that wind recovery curves derived from two‐dimensional wind fence experiments may not be suitable analogues for describing airflow around more complex, three‐dimensional forms. Field‐derived parameterizations such as the one presented here are a crucial step for connecting plant‐scale windflow behaviour to dryland bedform development at landscape scales. © 2016 The Authors. Earth Surface Processes and Landforms published by John Wiley & Sons Ltd.
Application of Structure‐from‐Motion photogrammetry to river restoration
Authors: Marteau Baptiste , Vericat Damià , Gibbins Chris , Batalla Ramon J. , Green David R. 
Published: November 2016

AbstractStructure‐from‐Motion (SfM) photogrammetry is now used widely to study a range of earth surface processes and landforms, and is fast becoming a core tool in fluvial geomorphology. SfM photogrammetry allows extraction of topographic information and orthophotos from aerial imagery. However, one field where it is not yet widely used is that of river restoration. The characterisation of physical habitat conditions pre‐ and post‐restoration is critical for assessing project success, and SfM can be used easily and effectively for this purpose. In this paper we outline a workflow model for the application of SfM photogrammetry to collect topographic data, develop surface models and assess geomorphic change resulting from river restoration actions. We illustrate the application of the model to a river restoration project in the NW of England, to show how SfM techniques have been used to assess whether the project is achieving its geomorphic objectives. We outline the details of each stage of the workflow, which extend from preliminary decision‐making related to the establishment of a ground control network, through fish‐eye lens camera testing and calibration, to final image analysis for the creation of facies maps, the extraction of point clouds, and the development of digital elevation models (DEMs) and channel roughness maps. The workflow enabled us to confidently identify geomorphic changes occurring in the river channel over time, as well as assess spatial variation in erosion and aggradation. Critical to the assessment of change was the high number of ground control points and the application of a minimum level of detection threshold used to assess uncertainties in the topographic models. We suggest that these two things are especially important for river restoration applications. Copyright © 2016 John Wiley & Sons, Ltd.
Consolidation grouting technology for fire prevention in mined‐out areas of working face with large inclined angle and its application
Authors: Yang Yongliang , Li Zenghua , Si Leilei , Hou Shisong , Zhou Yinbo , Qi Qiangqiang 
Published: November 2016

SummaryThe phenomenon of linear flow of slurry in mined‐out areas of working face with large inclined angle is a crucial issue that hinders grouting for fire prevention. The traditional way of grouting exerts a poor effect on inhibiting coal spontaneous combustion, so it is in urgent need of a suitable grouting technology for fire prevention in mined‐out areas with large inclined angle working face. This paper brings up the consolidation grouting method for fire prevention for the first time and conducts a systematic study on the flow characteristics of slurry and sedimentation characteristics of slurry in mined‐out areas with large inclined angle working face. Consolidation slurry materials and their ratio are optimized by experiments. Test platform has been established, and effectiveness of the consolidation grouting for fire prevention has been simulated. The results show that settling velocity of yellow mud increases at first and then decreases as the concentration of consolidation slurry materials ascends. The optimum mass concentration is 0.2%–0.8%. The flow speed of mud is greatly reduced by laying consolidation slurry materials (The decreasing range is approaching 50%). The retention of yellow mud in mined‐out areas has significantly increased. Finally, technology in working site has been developed; meanwhile, compressed air and spray between frames have been used during the period of working face, and the consolidated way of expansion bags in wood crib to lay consolidation slurry materials has been adopted during the period of stopping work. Field application shows that CO concentration at upper corner decreases significantly and eliminates signs of spontaneous combustion. Besides, the flowing water becomes clearer, and effectiveness of the consolidation grouting is remarkable after laying consolidation slurry material band. Research results can provide theoretical guidance to technology for fire hazard prevention in mined‐out areas with large inclined angle. Copyright © 2016 John Wiley & Sons, Ltd.
Differentiating responses of lung cancer cell lines to Doxorubicin exposure: in vitro Raman micro spectroscopy, oxidative stress and bcl‐2 protein expression
Authors: Farhane Zeineb , Bonnier Franck , Maher Marcus Alexander , Bryant Jane , Casey Alan , Byrne Hugh James 
Published: November 2016

The potential of Raman micro spectroscopy as an in vitro, non‐invasive tool for clinical applications has been demonstrated in recent years, specifically for cancer research. To further illustrate its potential as a high content and label free technique, it is important to show its capability to elucidate drug mechanisms of action and cellular resistances. In this study, cytotoxicity assays were employed to establish the toxicity profiles for 24 hr exposure of lung cancer cell lines, A549 and Calu‐1, to the commercially available drug, doxorubicin (DOX). Raman spectroscopy, coupled with Confocal Laser Scanning Microscopy and Flow Cytometry, was used to track the DOX mechanism of action, at a subcellular level, and to study the mechanisms of cellular resistance to DOX. Biomarkers related to the drug mechanism of action and cellular resistance to apoptosis, namely reactive oxygen species (ROS) and bcl‐2 protein expression, respectively, were also measured and correlated to Raman spectral profiles. Calu‐1 cells are shown to exhibit spectroscopic signatures of both direct DNA damage due to intercalation in the nucleus and indirect damage due to oxidative stress in the cytoplasm, whereas the A549 cell line only exhibits signatures of the former mechanism of action.
PCA of nucleolar, nuclear and cytoplasmic regions of A549 and Calu‐1 with corresponding loadings of PC1 and PC2magnified imagePCA of nucleolar, nuclear and cytoplasmic regions of A549 and Calu‐1 with corresponding loadings of PC1 and PC2
Sarcopenia and physical independence in older adults: the independent and synergic role of muscle mass and muscle function
Authors: dos Santos Leandro , Cyrino Edilson S. , Antunes Melissa , Santos Diana A. , Sardinha Luís B. 
Published: November 2016

AbstractBackgroundThe loss of skeletal muscle mass (MM) or muscle function (MF) alone increases the risk for losing physical independence in older adults. We aimed to examine the independent and synergic associations of low MM and low MF, both criteria of sarcopenia, with the risk for losing projected physical independence in later life (+90 years old).MethodsCross‐sectional analyses were conducted in 3493 non‐institutionalized older adults (1166 males). Physical independence was assessed with a 12‐item composite physical function scale. Logistic regression was used to estimate the odds‐ratio (OR) for being at risk for losing physical independence.ResultsApproximately 30% of the participants were at risk for losing physical independence at 90 years of age. Independent analysis demonstrated that participants with low MM had 1.65 (95%CI: 1.27–2.31) increased odds for being at risk for losing physical independence and participants with low MF had 6.19 (95%CI 5.08–7.53) increased odds for being at risk. Jointly, having a low MM and a low MF increased the risk for losing physical independence to 12.28 (95%CI 7.95 to 18.96).ConclusionsAlthough low MM represents a risk factor for losing physical independence, low MF seems to play a more dominant role in this relationship, with the presence of both sarcopenia criteria representing a substantial risk for losing physical independence in later life.