bluuebunny/crossref_metadata_2025_split huggingface dataset:
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

AbstractThe 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.
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

Abstract

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

Abstract

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

AbstractThis 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.
A scalable geometrical model for musculotendon units
Authors: Laclé Francis , Pronost Nicolas 
Published: December 2015

AbstractPhysics‐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

AbstractThe 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

AbstractDerivatives 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

AbstractSynthetic 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

AbstractEnantiomerization 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

AbstractBackgroundIndividuals 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.HypothesisRoutine ABI testing in the stress laboratory will identify unrecognized peripheral arterial disease in some patients.MethodsParticipants 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.ResultsOverall, 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).ConclusionsAnkle‐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

ABSTRACTBackgroundNo 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.HypothesisAmong patients with BAV disease who are referred for surgery, preoperative statin use is associated with decreased odds of ascending aortic dilatation.MethodsWe 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.ResultsOf 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).ConclusionsIn 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

ABSTRACTThe 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.
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

AbstractFuel 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

AbstractIon 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)