bluuebunny/crossref_metadata_2025 huggingface dataset:
Visible‐Light‐Driven Hydrogen Evolution Using Planarized Conjugated Polymer Photocatalysts
Authors: Sprick Reiner Sebastian , Bonillo Baltasar , Clowes Rob , Guiglion Pierre , Brownbill Nick J. , Slater Benjamin J. , Blanc Frédéric , Zwijnenburg Martijn A. , Adams Dave J. , Cooper Andrew I.
Published: December 2015

Linear poly(p‐phenylene)s are modestly active UV photocatalysts for hydrogen production in the presence of a sacrificial electron donor. Introduction of planarized fluorene, carbazole, dibenzo[b,d]thiophene or dibenzo[b,d]thiophene sulfone units greatly enhances the H2 evolution rate. The most active dibenzo[b,d]thiophene sulfone co‐polymer has a UV photocatalytic activity that rivals TiO2, but is much more active under visible light. The dibenzo[b,d]thiophene sulfone co‐polymer has an apparent quantum yield of 2.3 % at 420 nm, as compared to 0.1 % for platinized commercial pristine carbon nitride.
Nanopharmacological Force Sensing to Reveal Allosteric Coupling in Transporter Binding Sites
Authors: Zhu Rong , Sinwel Doris , Hasenhuetl Peter S. , Saha Kusumika , Kumar Vivek , Zhang Peng , Rankl Christian , Holy Marion , Sucic Sonja , Kudlacek Oliver , Karner Andreas , Sandtner Walter , Stockner Thomas , Gruber Hermann J. , Freissmuth Michael , Newman Amy Hauck , Sitte Harald H. , Hinterdorfer Peter
Published: December 2015

Controversy regarding the number and function of ligand binding sites in neurotransmitter/sodium symporters arose from conflicting data in crystal structures and molecular pharmacology. Here, we have designed novel tools for atomic force microscopy that directly measure the interaction forces between the serotonin transporter (SERT) and the S‐ and R‐enantiomers of citalopram on the single molecule level. This approach is based on force spectroscopy, which allows for the extraction of dynamic information under physiological conditions thus inaccessible via X‐ray crystallography. Two distinct populations of characteristic binding strengths of citalopram to SERT were revealed in Na+‐containing buffer. In contrast, in Li+‐containing buffer, SERT showed only low force interactions. Conversely, the vestibular mutant SERT‐G402H merely displayed the high force population. These observations provide physical evidence for the existence of two binding sites in SERT when accessed in a physiological context. Competition experiments revealed that these two sites are allosterically coupled and exert reciprocal modulation.
Redox‐Active Corannulene Buckybowls in a Crystalline Hybrid Scaffold
Authors: Fellows W. Brett , Rice Allison M. , Williams Derek E. , Dolgopolova Ekaterina A. , Vannucci Aaron K. , Pellechia Perry J. , Smith Mark D. , Krause Jeanette A. , Shustova Natalia B.
Published: December 2015

A porous crystalline corannulene‐containing scaffold, which combines the periodicity, dimensionality, and structural modularity of hybrid frameworks with the intrinsic properties of redox‐active π‐bowls, has been prepared. Single‐crystal and powder X‐ray diffraction, ab initio density functional theory computations, gas sorption analysis, fluorescence spectroscopy, and cyclic voltammetry were employed to study the properties of the novel corannulene derivatives and the buckybowl‐based hybrid materials. X‐ray diffraction studies revealed the preservation of the corannulene bowl inside the prepared rigid matrix, which offers the unique opportunity to extend the scaffold dimensionality through the buckybowl curvature. Merging the inherent properties of hybrid frameworks with the intrinsic properties of π‐bowls opens a new avenue for preparing redox‐active materials and potentially improving charge transport in the scaffold.
25‐Hydroxyvitamin D3 Synthesis by Enzymatic Steroid Side‐Chain Hydroxylation with Water
Authors: Warnke Markus , Jung Tobias , Dermer Juri , Hipp Karin , Jehmlich Nico , von Bergen Martin , Ferlaino Sascha , Fries Alexander , Müller Michael , Boll Matthias
Published: December 2015

The hydroxylation of vitamin D3 (VD3, cholecalciferol) side chains to give 25‐hydroxyvitamin D3 (25OHVD3) is a crucial reaction in the formation of the circulating and biologically active forms of VD3. It is usually catalyzed by cytochrome P450 monooxygenases that depend on complex electron donor systems. Cell‐free extracts and a purified Mo enzyme from a bacterium anaerobically grown with cholesterol were employed for the regioselective, ferricyanide‐dependent hydroxylation of VD3 and proVD3 (7‐dehydrocholesterol) into the corresponding tertiary alcohols with greater than 99 % yield. Hydroxylation of VD3 strictly depends on a cyclodextrin‐assisted isomerization of VD3 into preVD3, the actual enzymatic substrate. This facile and robust method developed for 25OHVD3 synthesis is a novel example for the concept of substrate‐engineered catalysis and offers an attractive alternative to chemical or O2 /electron‐donor‐dependent enzymatic procedures.
Porous chitosan–MnO2 nanohybrid: a green and biodegradable heterogeneous catalyst for aerobic oxidation of alkylarenes and alcohols
Authors: Shaabani Ahmad , Borjian Boroujeni Mahmoud , Laeini Mohmmad Sadegh
Published: December 2015

A porous chitosan–manganese dioxide (PC–MnO2) nanohybrid was synthesized using an in situ reduction method, in which potassium permanganate solution and nanoporous chitosan acted as precursor and reducing agent. The chemical and structural properties of PC–MnO2 were characterized using scanning and transmission electron microscopies, X‐ray diffraction, thermogravimetric analysis and Fourier transform infrared spectroscopy. Highly dispersed MnO2 nanoparticles in a matrix of porous chitosan showed high catalytic activity for selective aerobic oxidation of alkylarenes and alcohols without using any bases or expensive oxidants. Short reaction time, ease of product separation by filtration and recyclability of the catalyst make it environmentally and economically favoured for the synthesis of versatile aldehydes and ketones. Copyright © 2015 John Wiley & Sons, Ltd.
Conservation genetics of the broadstripe shiner, Pteronotropis euryzonus, an endemic species of the middle Chattahoochee River
Authors: Hayes Malorie Marie , Krahl Erika Renée , Werneke David Christian , Armbruster Jonathan William
Published: December 2015

The broadstripe shiner, Pteronotropis euryzonus is a freshwater minnow endemic to a small area that includes the tributaries of the middle and lower Chattahoochee River in Alabama and Georgia.

Populations of P. euryzonus appear fragmented because individuals have not been detected in the main channel. This suggests limited dispersal potential and low gene flow between populations, and previous studies have suggested multiple forms of P. euryzonus in the Chattahoochee.

In total, 125 samples of P. euryzonus were collected for genetic analysis from 23 sites in 11 tributaries of the Chattahoochee River, and museum specimens were used for morphometric analyses. The mitochondrial genes cytochrome c oxidase I (COI) and cytochrome b (cytb) were used to assess the genetic structure of P. euryzonus throughout its range.

Geometric morphometrics were used to quantify shape variation among populations. Results suggest the presence of three genetically distinct populations: Northern, Pataula, and Southern, which also exhibit distinct morphologies. These populations support previous hypotheses of multiple forms of P. euryzonus in the Chattahoochee River.

The presence of three genetically and morphologically distinct populations has significant conservation implications for P. euryzonus, which is currently listed as imperilled in both Alabama and Georgia. Three distinct populations, a restricted range, and recent disturbance to gene flow from local infrastructure may necessitate further protections to prevent extirpation.

Copyright © 2015 John Wiley & Sons, Ltd.
The importance of being natural in a human‐altered riverscape: role of wetland type in supporting habitat heterogeneity and the functional diversity of vegetation
Authors: Bolpagni Rossano , Piotti Andrea
Published: December 2015

Human activities have dramatically affected the status of river ecosystems, mainly by completely altering their natural dynamics. One of the main questions in this regard is: 'How do the origin (natural or artificial) and hydrology (lentic or lotic) of a riverine wetland influence its heterogeneity and the functional diversity of its vegetation?'

To answer this question, data from 60 wetlands were collected along the Oglio River (northern Italy), a ~700 km2 ecosystem that is a typically over‐exploited plain. In order to perform a quantitative assessment of habitat heterogeneity and vegetation diversity, a hierarchical approach was applied to sample sites divided into four functional zones (FZs) according to distinct seasonal inundation patterns (persistently aquatic, riparian, seasonally emergent and lateral zones).

Plant communities were randomly surveyed in each FZ by using five replicates of 4 m2 plots for aquatic and herbaceous plant communities and five replicates of 64 m2 plots for woody and shrub communities. Data on species cover were estimated by standard methods (geometric‐centered scale)

The highest values of heterogeneity (FZs per site) and vegetation diversity (plant communities per site) were found in natural lentic sites, whereas natural lotic sites exhibited the lowest values. A clear dependence of plant community assets on wetland origin was detected, thereby confirming the close relationship between heterogeneity and vegetation diversity.

Present results highlight the fundamental role played by natural sites in maintaining aquatic and wetland vegetation diversity in human‐altered riverscapes. The pivotal role of water level fluctuations in promoting the diversity and distribution of aquatic and hygrophilous vegetation also clearly emerges.

Copyright © 2015 John Wiley & Sons, Ltd.
Event‐triggered Control for Cluster Consensus in Multi‐agent Networks
Authors: Hu Aihua , Hu Manfeng , Guo Liuxiao
Published: December 2015

This paper considers the issue of cluster consensus for multiple agents in fixed and undirected networks. Agents in a network are supposed to split into several clusters, and a fraction of the agents in each cluster are pinned by virtual leaders. According to the Lyapunov stability theory and graph theory, some appropriate event‐triggered protocols are developed for consensus of the agents belonging to the same cluster, which can greatly reduce both the number of communication updates and that of control actuation updates. Finally, a numerical example is shown to demonstrate the effectiveness of the proposed theoretical results.
New biofuel debut: biopropane
Authors: Johnson Eric
Published: December 2015

LPG will soon see commercial availability of its own bio‐alternative. Biopropane ‘drops in’ to substitute its fossil sibling, sports an extraordinarily low carbon footprint, and could reach volumes of several hundred thousand tonnes. Eric Johnson considers its potential. © 2015 Society of Chemical Industry and John Wiley & Sons, Ltd.
Ageing gracefully
Authors: Earnshaw J J , Alderson D
Published: December 2015

Better than the alternative
A scalable geometrical model for musculotendon units
Authors: Laclé Francis , Pronost Nicolas
Published: December 2015

Physics‐based simulation of systems such as virtual humans has benefited from recent advances in muscle actuation. However, to be manageable for motion controllers, muscles are usually solely represented by their action line, a polyline that does not include data on the tridimensional geometry of the muscle. This paper focuses on combining, by a controllable enhancement process, a functional and biomechanical model of musculotendon units with its high resolution geometrical counterpart. The method was developed in order to be invariant to spatial and polygonal configurations and to be scalable in both longitudinal and latitudinal directions. Results with 48 musculotendon units for the lower body show a drop of 84% with respect to the number of vertices when compared with the high resolution model, while maintaining the functional information. A real‐time simulation experiment resulted in a runtime of 135 Hz. Copyright © 2015 John Wiley & Sons, Ltd.
Modularized Biocatalysis: Immobilization of Whole Cells for Preparative Applications in Microaqueous Organic Solvents
Authors: Wachtmeister Jochen , Mennicken Philip , Hunold Andreas , Rother Dörte
Published: December 2015

The use of whole‐cell biocatalysts enables catalyst application in microaqueous reaction systems, in which the liquid phase consists of high substrate loadings in organic solvents, to enable access to high concentrations of easy‐to‐purify product. One current research focus is the modularization of single reaction steps to (i) enable flexible combinations into multi‐step enzyme reactions, (ii) investigate ideal reaction conditions, and (iii) facilitate catalyst handling and recycling. Therefore, we published the easy‐to‐apply encapsulation of a lyophilized whole‐cell catalyst in a polymeric membrane recently. These catalytic “teabags” were demonstrated to enable flexible catalyst combinations for multi‐step reactions and excellent recyclability during repeated batch experiments. We now describe the applicability of these “teabags” on a larger scale by using the new SpinChem reactor and a classical stirred‐tank reactor model. As an alternative, we investigate the described alginate entrapment approach and compare the results. The carboligation reaction towards (R)‐benzoin, using lyophilized E. coli that enclose Pseudomonas fluorescens benzaldehyde lyase (EC 4.1.2.38), served as a model reaction. It was demonstrated that the catalytic “teabags” are scalable and perform equally on the investigatory 5 mL scale and the preparative 140 mL reactor scale. Tested in a more advanced application, the “teabags” were proven to be useful in a one‐pot two‐step reaction for the gram‐scale production of 1‐phenylpropane‐1,2‐diol by using the SpinChem reactor, which allowed to reach an industrially relevant product concentration (32.9 g L−1) and space–time yield (8.2 g L−1 d−1).
Correlation‐assisted nearest shrunken centroid classifier with applications for high dimensional spectral data
Authors: Xu Jian , Xu Qingsong , Yi Lunzhao , Chan Chi‐On , Mok Daniel Kam‐Wah
Published: December 2015

High throughput data are frequently observed in contemporary chemical studies. Classification through spectral information is an important issue in chemometrics. Linear discriminant analysis (LDA) fails in the large‐p‐small‐n situation for two main reasons: (1) the sample covariance matrix is singular when p > n and (2) there is an accumulation of noise in the estimation of the class centroid in high dimensional feature space. The Independence Rule is a class of methods used to overcome these drawbacks by ignoring the correlation information between spectral variables. However, a strong correlation is an essential characteristic of spectral data. We proposed a new correlation‐assisted nearest shrunken centroid classifier (CA‐NSC) to incorporate correlation information into the classification. CA‐NSC combines two sources of information [class centroid (mean) and correlation structure (variance)] to generate the classification. We used two real data analyses and a simulation study to verify our CA‐NSC method. In addition to NSC, we also performed a comparison with the soft independent modeling of class analogy (SIMCA) approach, which uses only correlation structure information for classification. The results show that CA‐NSC consistently improves on NSC and SIMCA. The misclassification rate of CA‐NSC is reduced by almost half compared with NSC in one of the real data analyses. Generally, correlation among variables will worsen the performance of NSC, even though the discriminatory information contained in the class centroid remains unchanged. If only correlation structure information is used (as in the case of SIMCA), the result will be satisfactory only when the correlation structure alone can provide sufficient information for classification. Copyright © 2015 John Wiley & Sons, Ltd.
Structure‐interaction relationship study of N‐(4‐phenylsubstituted) cyanoacetamides by multivariate methods
Authors: Vastag Gyöngyi , Apostolov Suzana , Matijević Borko , Djaković‐Sekulić Tatjana
Published: December 2015

Derivatives of amides belong to a very attractive group of compounds due to a broad spectrum of different biological activities. The type of molecule activity significantly depends on its interactions with the environment, which on the other hand largely depends on the nature of the substituent attached to the basic molecule as well as of solvents properties. In this work, the influence of the mentioned parameters on the interaction ability of the group of N‐(4‐phenylsubstituted) cyanoacetamides is investigated by using multivariate methods, based on the results obtained by reverse‐phase thin‐layer chromatography and ultraviolet absorption spectroscopy. Results obtained by the used chemometrics methods are very similar, within which the principal component analysis has provided the most detailed information. The obtained results suggest that the interactions of the investigated compounds are dominantly regulated by the polarity of the used solvents and their proton donor ability inside the chromatographic measurements, while in the case of the spectrophotometric data, the solvent's hydrogen bond ability has the greatest impact on the future interaction capability of the investigated cyanoacetamides. In the case of the substituent effect which is attached to the benzene ring, the greatest impact on the future interaction ability of the investigated cyanoacetamides is the orientation effect of ring substituent. Based on all the obtained results, it can be noticed that the used multivariate methods are able to detect effects of the substituent and solvent properties on the future interaction ability of the investigated derivatives. Copyright © 2015 John Wiley & Sons, Ltd.
A Divalent PAMAM‐Based Matrix Metalloproteinase/Carbonic Anhydrase Inhibitor for the Treatment of Dry Eye Syndrome
Authors: Richichi B. , Baldoneschi V. , Burgalassi S. , Fragai M. , Vullo D. , Akdemir A. , Dragoni E. , Louka A. , Mamusa M. , Monti D. , Berti D. , Novellino E. , Rosa G. De , Supuran C. T. , Nativi C.
Published: December 2015

Synthetic sulfonamide derivatives are a class of potent matrix metalloproteinase inhibitors (MMPI) that have potential for the treatment of diseases related to uncontrolled expression of these enzymes. The lack of selectivity of the large majority of such inhibitors, leading to the inhibition of MMPs in tissues other than the targeted one, has dramatically reduced the therapeutic interest in MMPIs. The recent development of efficient drug delivery systems that allow the transportation of a selected drug to its site of action has opened the way to new perspectives in the use of MMPIs. Here, a PAMAM‐based divalent dendron with two sulfonamidic residues was synthesized. This nanomolar inhibitor binds to the catalytic domain of two MMPs as well as to the transmembrane human carbonic anhydrases (hCAs) XII, which is present in the eye and considered an antiglaucoma target. In the animal model of an experimental dry eye, no occurrence of dotted staining in eyes treated with our inhibitor was observed, indicating no symptoms of corneal desiccation.
Enantiomerization of Allylic Trifluoromethyl Sulfoxides Studied by HPLC Analysis and DFT Calculations
Authors: Bailly Laetitia , Petit Emilie , Maeno Mayaka , Shibata Norio , Trapp Oliver , Cardinael Pascal , Chataigner Isabelle , Cahard Dominique
Published: December 2015

Enantiomerization of allylic trifluoromethyl sulfoxides occurs spontaneously at room temperature through the corresponding allylic trifluoromethanesulfenates via a [2,3]‐sigmatropic rearrangement. Dynamic enantioselective high‐performance liquid chromatography (HPLC) analysis revealed the stereodynamics of these sulfoxides ranging from chromatographic resolution to peak coalescence at temperatures between 5 and 53 °C. The rate constant of enantiomerization and activation parameters were determined and compared with Density Functional Theory (DFT) calculations. Chirality 28:136–142, 2016. © 2015 Wiley Periodicals, Inc.
Ankle‐Brachial Index Testing at the Time of Stress Testing in Patients Without Known Atherosclerosis
Authors: Narula Amar , Benenstein Ricardo J. , Duan Daisy , Zagha David , Li Lilun , Choy‐Shan Alana , Konigsberg Matthew W. , Lau Ginger , Phillips Lawrence M. , Saric Muhamed , Vreeland Lisa , Reynolds Harmony R.
Published: December 2015

Background

Individuals referred for stress testing to identify coronary artery disease may have nonobstructive atherosclerosis, which is not detected by stress tests. Identification of increased risk despite a negative stress test could inform prevention efforts. Abnormal ankle‐brachial index (ABI) is associated with increased cardiovascular risk.

Hypothesis

Routine ABI testing in the stress laboratory will identify unrecognized peripheral arterial disease in some patients.

Methods

Participants referred for stress testing without known history of atherosclerotic disease underwent ABI testing (n = 451). Ankle‐brachial index was assessed via simultaneous arm and leg pressure using standard measurement, automated blood‐pressure cuffs at rest. Ankle‐brachial index was measured after exercise in 296 patients and 30 healthy controls. Abnormal postexercise ABI was defined as a >20% drop in ABI or fall in ankle pressure by >30 mm Hg.

Results

Overall, 2.0% of participants had resting ABI ≤0.90, 3.1% had ABI ≥1.40, and 5.5% had borderline ABI. No patient with abnormal or borderline ABI had an abnormal stress test. Participants who met peripheral arterial disease screening criteria (age ≥65 or 50–64 with diabetes or smoking) tended toward greater frequency of low ABI (2.9% vs 1.0%; P = 0.06) and were more likely to have borderline ABI (0.91 to 0.99; 7.8% vs 2.9%; P = 0.006). Postexercise ABI was abnormal in 29.4% of patients and 30.0% of controls (P not significant).

Conclusions

Ankle‐brachial index screening at rest just before stress testing detected low ABI in 2.0% of participants, all of whom had negative stress tests.
Statin Use and Aneurysm Risk in Patients With Bicuspid Aortic Valve Disease
Authors: Taylor Alexander P. , Yadlapati Ajay , Andrei Adin‐Cristian , Li Zhi , Clennon Colleen , McCarthy Patrick M. , Thomas James D. , Malaisrie S. Chris , Stone Neil J. , Bonow Robert O. , Fedak Paul W.M. , Puthumana Jyothy J.
Published: December 2015

Background

No medical therapy has been proven to prevent the progression of aortic dilatation in bicuspid aortic valve (BAV) disease, and prophylactic aortic surgery remains the mainstay of treatment.

Hypothesis

Among patients with BAV disease who are referred for surgery, preoperative statin use is associated with decreased odds of ascending aortic dilatation.

Methods

We reviewed all BAV patients who underwent aortic valve and/or aortic surgery at our center between April 2004 and December 2013. Aortic diameter (AD), defined as the maximum ascending aortic dimension, was determined by magnetic resonance imaging, computed tomography, or echocardiography. Patients were divided into 2 groups: maximal AD <4.5 cm or ≥4.5 cm. The association between preoperative statin use and aortic dilatation was assessed using multivariable logistic regression modeling.

Results

Of 680 consecutive patients, 405 (60%) had AD <4.5 cm (mean age, 60 ± 14 years; 45% on statins), whereas 275 (40%) had AD ≥4.5 cm (mean age, 54 ± 13 years; 35% on statins) at the time of surgery. After adjusting for age, body surface area, sex, hypertension, aortic stenosis, severity of aortic regurgitation, and use of angiotensin‐converting enzyme inhibitors, angiotensin receptor blockers, and β‐blockers, patients with AD ≥4.5 cm had 0.66× lower odds (95% confidence interval: 0.45‐0.96) of being on preoperative statins compared with those with AD <4.5 cm (P = 0.029).

Conclusions

In a retrospective study of BAV patients referred for surgery, preoperative statin use was associated with lower odds of clinically significant ascending aortic dilatation.
Objectives and Design of the Russian Acute Coronary Syndrome Registry (RusACSR)
Authors: Gridnev Vladimir I. , Kiselev Anton R. , Posnenkova Olga M. , Popova Yulia V. , Dmitriev Viktor A. , Prokhorov Mikhail D. , Dovgalevsky Pavel Ya. , Oschepkova Elena V. ,   Russian Registry of Acute Coronary Syndrome Investigators
Published: December 2015

The Russian Acute Coronary Syndrome Registry (RusACSR) is a retrospective, continuous, nationwide, Web‐based registry of patients with acute coronary syndromes (ACS). The RusACSR is a database that uses a secure Web‐based interface for data entry by individual users. Participation in the RusACSR is voluntary. Any clinical center that provides health care to ACS patients can take part in the RusACSR. The RusACSR enrolls ACS patients who have undergone care in Russian hospitals from February 2008 to the present. Key data elements and methods of data analysis in the RusACSR are presented in this article. Up to 2015, 213 clinical centers from 36 regions of Russia had participated in the RusACSR. Currently, the database contains data on more than 250 000 ACS patients who underwent care from 2008 to 2015. Some current problems are highlighted in this article. The RusACSR is a perspective project for different epidemiologic studies in Russian ACS patients.
Bioinnovation Enterprise: An engine driving breakthrough therapies
Authors: Waldman SA , Terzic A
Published: December 2015

Biological advances have radically expanded our insights into the underpinnings of health and disease. New knowledge has formed the substrate for translation—expedited in turn by the biotechnology and pharmaceutical industry into novel therapeutic solutions impacting the management of patients and populations. Indeed, this Bioinnovation Enterprise has become the dominant growth sector in drug development and the engine driving the translation of breakthrough therapies worldwide. This annual Therapeutic Innovations issue highlights recent exceptional advances by the Bioinnovation Enterprise in translating molecular insights in pathobiology into transformative therapies.
On the Reduction of Gas‐Phase Naphthalene Using Char–Particles in a Packed–Bed Atmospheric Pressure Plasma
Authors: Hübner M. , Brandenburg R. , Neubauer Y. , Röpcke J.
Published: December 2015

Fuel and synthesis gases generated by thermochemical gasification of renewable biomass resources and organic waste fractions are considered to be promising for recent and future energy demands. However, the presence of tar species in the gas mixture is an economic obstacle in the commercialization of this technology. The influence of non‐thermal plasma on gas phase naphthalene which served as tar model compound, in the presence of solids was examined. The naphthalene was evaporated into a N2/H2/CO/CO2 gas atmosphere and led through a packed‐bed, atmospheric plasma reactor operated at a temperature of 350 °C. The influence of two bed materials ‐ glass beads and glass beads mixed with char particles ‐ was studied. The char particles originated from real gasification processes with woody biomass as feedstock. With both reactor fillings, the content of naphthalene in the gas phase was reduced. The characteristic energy β of the naphthalene removal was found to be βno char = 952 ± 77 Jl–1 and βwith char = 232 ± 10 Jl–1, respectively. Consequently, the addition of char material leads to a naphthalene removal efficiency increased by a factor of about four. Furthermore the formation of ammonia (NH3), a by‐product of the plasma reactions, was suppressed in the presence of char. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Energy Distribution of Secondary Particles in Ion Beam Deposition Process of Ag: Experiment, Calculation and Simulation
Authors: Bundesmann C. , Feder R. , Lautenschläger T. , Neumann H.
Published: December 2015

Ion beam sputter deposition allows tailoring the properties of the film‐forming, secondary particles (sputtered target particles and backscattered primary particles) and, hence, thin film properties by changing ion beam (ion energy, ion species) and geometrical parameters (ion incidence angle, polar emission angle). In particular, the energy distribution of secondary particles and their influence on the ion beam deposition process of Ag was studied in dependence on process parameters. Energy‐selective mass spectrometry was used to measure the energy distribution of sputtered and backscattered ions. The energy distribution of the sputtered particles shows, in accordance with theory, a maximum at low energy and an E–2 decay for energies above the maximum. If the sum of incidence angle and polar emission angle is larger than 90°, additional contributions due to direct sputtering events occur. The energy distribution of the backscattered primary particles can show contributions by scattering at target particles and at implanted primary particles. The occurrence of these contributions depends again strongly on the scattering geometry but also on the primary ion species. The energy of directly sputtered and backscattered particles was calculated using equations based on simple two‐particle‐interaction whereas the energy distribution was simulated using the well‐known Monte Carlo code TRIM.SP. In principal, the calculation and simulation data agree well with the experimental findings. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Influence of Solvent Evaporation Rate in the Preparation of Carbon‐Coated Lithium Iron Phosphate Cathode Films on Battery Performance
Authors: Gören Attila , Cíntora‐Juárez Daniel , Martins Pedro , Ferdov Stanislav , Silva Maria Manuela , Tirado José Luís , Costa Carlos M. , Lanceros‐Méndez Senentxu
Published: December 2015

In this work, the drying step for cathodes based on carbon‐coated LiFePO4 prepared in the temperature range of 60–120 °C has been investigated in detail. The microstructure of the cathode shows a homogeneous distribution of the active material and conductive additive particles independent of the drying temperature. However, the results of impedance spectroscopy and cycling voltammetry are affected by the drying temperature. The solvent evaporation temperature, therefore, affects the polymer binder distribution and its characteristics, which include the polar phase content of the polymer and its affinity with the other components of the cathode. The discharge capacity value after 50 cycles is 120 and 81 mAh g−1 for the samples dried at 80 and 60 °C, respectively, which show the best and worst battery performance, respectively. It was concluded that carbon‐coated LiFePO4 cathodes should be prepared at drying temperatures between 80 and 100 °C for optimized performance.
A local mesh refinement approach for large‐eddy simulations of turbulent flows
Authors: Cevheri M. , McSherry R. , Stoesser T.
Published: December 2015

In this paper, a local mesh refinement (LMR) scheme on Cartesian grids for large‐eddy simulations is presented. The approach improves the calculation of ghost cell pressures and velocities and combines LMR with high‐order interpolation schemes at the LMR interface and throughout the rest of the computational domain to ensure smooth and accurate transition of variables between grids of different resolution. The approach is validated for turbulent channel flow and flow over a matrix of wall‐mounted cubes for which reliable numerical and experimental data are available. Comparisons of predicted first‐order and second‐order turbulence statistics with the validation data demonstrated a convincing agreement. Importantly, it is shown that mean streamwise velocities and fluctuating turbulence quantities transition smoothly across coarse‐to‐fine and fine‐to‐coarse interfaces. © 2016 The Authors International Journal for Numerical Methods in Fluids Published by John Wiley & Sons Ltd
Establishing the impacts of freshwater aquaculture in tropical Asia: the potential role of palaeolimnology
Authors: Legaspi Kenoses , Lau A. Y. Annie , Jordan Phil , Mackay Anson , Mcgowan Suzanne , Mcglynn Gayle , Baldia Susana , Papa Rey Donne , Taylor David
Published: December 2015

Freshwater aquaculture is an important source of protein worldwide. Over‐exploitation of fisheries can, however, add severely to pressures on ecosystem functioning and services. In Southeast Asia, aquaculture in freshwater lakes contributes significantly to the economy and to reductions in poverty and nutritional insecurity. However, overstocking and excessive feeding of fish can lead to a degradation of affected water bodies, manifest as eutrophication, toxic algal blooms, losses of biodiversity and amenity, anoxia and, in extreme cases, collapse of fisheries. Projected increased warming and storminess associated with global climate change are likely to magnify existing problems. Matching levels of aquaculture production with ecological carrying capacity is therefore likely to become increasingly challenging, requiring levels of data and understanding that are rarely available, a problem that is impossible to rectify in the short term using standard limnological approaches. This paper reviews the development of freshwater aquaculture in the Philippines, associated environmental impacts, and relevant environmental regulations and regulatory bodies. The potential role of palaeolimnology, a science that is relatively under‐utilised in the tropics generally and in tropical Asia in particular, in complementing extant datasets, including monitoring records, is highlighted through reference to a preliminary study at Lake Mohicap. Lake Mohicap currently supports aquaculture and is one of a cluster of seven volcanic crater lakes on Luzon, the largest of the archipelago of islands forming the Philippines.
Functional and phenotypic differences of pure populations of stem cell‐derived astrocytes and neuronal precursor cells
Authors: Kleiderman Susanne , Sá João V. , Teixeira Ana P. , Brito Catarina , Gutbier Simon , Evje Lars G. , Hadera Mussie G. , Glaab Enrico , Henry Margit , Sachinidis Agapios , Alves Paula M. , Sonnewald Ursula , Leist Marcel
Published: December 2015

Availability of homogeneous astrocyte populations would facilitate research concerning cell plasticity (metabolic and transcriptional adaptations; innate immune responses) and cell cycle reactivation. Current protocols to prepare astrocyte cultures differ in their final content of immature precursor cells, preactivated cells or entirely different cell types. A new method taking care of all these issues would improve research on astrocyte functions. We found here that the exposure of a defined population of pluripotent stem cell‐derived neural stem cells (NSC) to BMP4 results in pure, nonproliferating astrocyte cultures within 24–48 h. These murine astrocytes generated from embryonic stem cells (mAGES) expressed the positive markers GFAP, aquaporin 4 and GLT‐1, supported neuronal function, and acquired innate immune functions such as the response to tumor necrosis factor and interleukin 1. The protocol was applicable to several normal or disease‐prone pluripotent cell lines, and the corresponding mAGES all exited the cell cycle and lost most of their nestin expression, in contrast to astrocytes generated by serum‐addition or obtained as primary cultures. Comparative gene expression analysis of mAGES and NSC allowed quantification of differences between the two cell types and a definition of an improved marker set to define astrocytes. Inclusion of several published data sets in this transcriptome comparison revealed the similarity of mAGES with cortical astrocytesin vivo. Metabolic analysis of homogeneous NSC and astrocyte populations revealed distinct neurochemical features: both cell types synthesized glutamine and citrate, but only mature astrocytes released these metabolites. Thus, the homogeneous cultures allowed an improved definition of NSC and astrocyte features. GLIA 2016;64:695–715
Improving patient outcomes through multidisciplinary treatment planning conference
Authors: Lewis Carol M. , Nurgalieva Zhannat , Sturgis Erich M. , Lai Stephen Y. , Weber Randal S.
Published: December 2015

Background

The purpose of this study was for us to determine National Comprehensive Cancer Network (NCCN) guideline‐compliance of multidisciplinary conference (MDC) recommendations and actual treatment received, and to determine this impact on patient outcomes.

Methods

We conducted a retrospective review of patients presented at MDC between January 1, 2006, and December 31, 2006, with previously untreated incident cancers.

Results

We identified 232 patients, for whom MDC recommendations were NCCN guideline‐compliant in 201 (86.6%). Actual treatment was NCCN guideline‐compliant in 170 of 197 patients (86.3%). Adherence of MDC recommendations to NCCN guidelines was associated with superior overall survival (hazard ratio [HR] = 0.69; 95% confidence interval [CI] = 0.33–1.39; p = .3), as was guideline‐compliance of actual treatment (HR = 0.6; 95% CI = 0.64–1.07; p = .07); congruence between MDC recommendations and actual treatment conferred a statistically significant overall survival benefit (HR = 0.49; 95% CI = 0.27–0.89; p = .02).

Conclusion

Our findings argue for patient‐centered application of NCCN guidelines. Prospective evaluation will enable more timely identification of systematic NCCN guideline deviations that quality improvement interventions may address. © 2015 Wiley Periodicals, Inc. Head Neck 38: E1820–E1825, 2016
Ecological risk assessment of boreal sediments affected by metal mining: Metal geochemistry, seasonality, and comparison of several risk assessment methods
Authors: Väänänen Kristiina , Kauppila Tommi , Mäkinen Jari , Leppänen Matti T , Lyytikäinen Merja , Akkanen Jarkko
Published: December 2015

The mining industry is a common source of environmental metal emissions, which cause long-lasting effects in aquatic ecosystems. Metal risk assessment is challenging due to variations in metal distribution, speciation, and bioavailability. Therefore, seasonal effects must be better understood, especially in boreal regions in which seasonal changes are large. We sampled 4 Finnish lakes and sediments affected by mining for metals and geochemical characteristics in autumn and late winter, to evaluate seasonal changes in metal behavior, the importance of seasonality in risk assessment, and the sensitivity and suitability of different risk assessment methods. We compared metal concentrations in sediment, overlying water, and porewater against environmental quality guidelines (EQGs). We also evaluated the toxicity of metal mixtures using simultaneously extracted metals and an acid volatile sulfides (SEM-AVS) approach together with water quality criteria (US Environmental Protection Agency equilibrium partitioning benchmarks). Finally, site-specific risks for 3 metals (Cu, Ni, Zn) were assessed using 2 biotic ligand models (BLMs). The metal concentrations in the impacted lakes were elevated. During winter stratification, the hypolimnetic O2 saturation levels were low (<6%) and the pH was acidic (3.5–6.5); however, abundant O2 (>89%) and neutral pH (6.1–7.5) were found after the autumnal water overturn. Guidelines were the most conservative benchmark for showing an increased risk of toxicity in the all of the lakes. The situation remained stable between seasons. On the other hand, SEM-AVS, equilibrium partition sediment benchmarks (ESBs), and BLMs provided a clearer distinction between lakes and revealed a seasonal variation in risk among some of the lakes, which evidenced a higher risk during late winter. If a sediment risk assessment is based on the situation in the autumn, the overall risk may be underestimated. It is advisable to carry out sampling and risk assessment during periods in which metals are assumed to be the most environmentally harmful. Integr Environ Assess Manag 2016;12:759–771. © 2015 SETAC
Temporary abdominal closure and delayed biliary reconstruction due to massive bleeding in patients undergoing liver transplantation: an old trick in a new indication
Authors: Komorowski Andrzej L. , Li Wei‐Feng , Millan Carlos A. , Huang Tun‐Sung , Yong Chee‐Chien , Lin Tsan‐Shiun , Lin Ting‐Lung , Jawan Bruno , Wang Chih‐Chi , Chen Chao‐Long
Published: December 2015

Background

Massive bleeding during liver transplantation (LT) is difficult to manage surgical event. Perihepatic packing (PP) and temporary abdominal closure (TAC) with delayed biliary reconstruction (DBR) can be applied in these circumstances.

Method

A prospective database of LT in a major transplant center was analyzed to identify patients with massive uncontrollable bleeding during LT that was resolved by PP, TAC, and DBR.

Results

From January 2009 to July 2013, 20 (3.6%) of 547 patients who underwent LT underwent DBR. Mean intraoperative blood loss was 20,500 ml at the first operation. The DBR was performed with a mean of 55.2 h (16–110) after LT. Biliary reconstruction included duct‐to‐duct (n = 9) and hepatico‐jejunostomy (n = 11). Complications occurred in eight patients and included portal vein thrombosis, cholangitis, severe bacteremia, pneumonia. There was one in‐hospital death. In the follow‐up of 18 to 33 months we have seen one patient died 9 months after transplantation. The remaining 18 patients are alive and well.

Conclusions

In case of massive uncontrollable bleeding and bowel edema during LT, the combined procedures of PP, TAC, and DBR offer an alternatively surgical option to solve the tough situation.
3‐(3,5‐Dimethyl‐1H‐Pyrazol‐1‐yl)‐3‐Oxopropanenitrile as Precursor for Some New Mono‐Heterocyclic and Bis‐Heterocyclic Compounds
Authors: Metwally Nadia H. , Abdelrazek Fathy M. , Eldaly Salwa M. , Metz Peter
Published: December 2015

3‐(3,5‐Dimethyl‐1 H ‐pyrazol‐1‐yl)‐3‐oxopropanenitrile 1 was used as a cyanoacetylating agent for synthesis of the acetanilide derivative 3. Compound 3 was utilized as a key intermediate for the synthesis of some new mono‐chromene and di‐chromene derivatives 9 and 13, the dihydrazo derivatives 15, and the dithiazole derivatives 18 via the condensation with o‐hydroxybenzaldehyde derivatives, the coupling with aryl diazonium salts, or the reaction with phenyl isothiocyanate in presence of KOH followed by phenacyl bromide derivatives respectively.
Ultrastructure of the fetal membranes of the oviparous kingsnake, Lampropeltis getula (Colubridae) as revealed by scanning electron microscopy
Authors: Kim Young K. , Blackburn Daniel G.
Published: December 2015

In reptilian sauropsids, fetal (extraembryonic) membranes that line the eggshell sustain developing embryos by providing for gas exchange and uptake of water and eggshell calcium. However, a scarcity of morphological studies hinders an understanding of functional specializations and their evolution. In kingsnakes (Lampropeltis getula), scanning electron microscopy reveals two major fetal membranes: the chorioallantois and yolk sac omphalopleure. In early development, the chorioallantois contains tall chorionic epithelial cells, avascular connective tissue, and enlarged allantoic epithelial cells. During its maturation, the chorionic and allantoic epithelia thin dramatically and become underlain by a rich network of allantoic capillaries, yielding a membrane ideally suited for respiratory gas exchange. Yolk sac development initially is like that of typical lizards and snakes, forming an avascular omphalopleure, isolated yolk mass (IYM), and yolk cleft. However, unlike the situation in most squamates studied, the omphalopleure becomes transformed into a “secondary chorioallantois” via three asynchronous events: flattening of the epithelium, regression of the IYM, and vascularization by the allantois. Progressive expansion of chorioallantois parallels growing embryonic needs for gas exchange. In early through mid‐development, external surfaces of both the chorionic and omphalopleure epithelium show an abundance of irregular surface protrusions that possibly increase surface area for water absorption. We postulate that the hypertrophied allantoic epithelial cells produce allantoic fluid, a viscous substance that facilitates water uptake and storage. Our findings are consistent with a previous study on the corn snake Pantherophis guttatus, but include new observations and novel functional hypotheses relevant to a reconstruction of basal squamate patterns. J. Morphol. 276:1467–1481, 2015. © 2015 Wiley Periodicals, Inc.
Quality assessment of white mold‐ripened cheeses manufactured with different lactic cultures
Authors: Judacewski Priscila , Los Paulo R , Benvenutti Laís , Alberti Aline , Simões Deise RS , Nogueira Alessandro
Published: December 2015

BACKGROUND

White mold‐ripened cheeses were investigated with the objective of proposing a colorimetric method to monitor the surface growth of Penicillium candidum and to evaluate the influence of the mesophilic (homofermentative (QMO) and heterofermentative (QMLD)) and thermophilic (QT) starter cultures on the physicochemical composition and sensory description.

RESULTS

The whiteness index was effective in proving the appearance of superficial mycelium and the stability of white mold growth. The lactic cultures showed significant influence on most of the physicochemical analyses. The cheese made with thermophilic lactic culture had a 1 day gain in the growth of mycelium on the surface; nevertheless, the appearance of this product was potentially not acceptable for consumers. The heterofermentative mesophilic cheese had a better appearance and texture profile. However, the homofermentative mesophilic cheese showed aspects of fresh cheese and was acceptable for a wide range of consumers.

CONCLUSION

The whiteness index was efficient to monitor the surface growth of P. candidum. The highest proteolytic effect was found in the QMLD and QT cultures. However, the cheese elaborated with the QMLD culture showed the best sensory acceptance. © 2015 Society of Chemical Industry
Application of a Box–Behnken design for optimizing the extraction process of agave fructans (Agave tequilana Weber var. Azul)
Authors: Flores‐Girón Emmanuel , Salazar‐Montoya Juan Alfredo , Ramos‐Ramírez Emma Gloria
Published: December 2015

BACKGROUND

Agave (Agave tequilana Weber var. Azul) is an industrially important crop in México since it is the only raw material appropriate to produce tequila, an alcoholic beverage. Nowadays, however, these plants have also a nutritional interest as a source of functional food ingredients, owing to the prebiotic potential of agave fructans. In this study, a Box–Behnken design was employed to determine the influence of temperature, liquid:solid ratio and time in a maceration process for agave fructan extraction and optimization.

RESULTS

The developed regression model indicates that the selected study variables were statistical determinants for the extraction yield, and the optimal conditions for maximum extraction were a temperature of 60 °C, a liquid:solid ratio of 10:1 (v/w) and a time of 26.7 min, corresponding to a predicted extraction yield of 37.84%. Through selective separation via precipitation with ethanol, fructans with a degree of polymerization of 29.1 were obtained.

CONCLUSION

Box–Behnken designs are useful statistical methods for optimizing the extraction process of agave fructans. A mixture of carbohydrates was obtained from agave powder. This optimized method can be used to obtain fructans for use as prebiotics or as raw material for obtaining functional oligosaccharides. © 2015 Society of Chemical Industry