bluuebunny/crossref_metadata_2025 huggingface dataset:
Purificación parcial de péptidos y actividad citotóxica del veneno T. macrochirus
Authors: Rincón-Cortés Clara Andrea , Reyes-Montaño Edgar Antonio , Vega-Castro Nohora Angélica
Published: May 2017

Introducción. Los venenos de escorpiones poseen péptidos con actividad neurotóxica, que actúan principalmente en canales iónicos del sistema nervioso de insectos y mamíferos. También se ha determinado acción citolítica y anticancerígena, características biológicas que aún no se han reportado sobre el veneno del escorpión Tityus macrochirus.Objetivo. Evaluar si tanto el veneno total de T. macrochirus, como la fracción de péptidos parcialmente purificados disminuyen el porcentaje de viabilidad de diferentes líneas celulares provenientes de tumores.Materiales y métodos. A partir del veneno de T. macrochirus, obtenido por estimulación eléctrica, se utilizaron métodos cromatográficos, electroforéticos y de centrifugación con Amicon, para la identificación y purificación parcial de sus péptidos. Los ensayos de actividad citotóxica del veneno y de la fracción de péptidos, se realizaron sobre líneas celulares provenientes de tumores, por el método colorimétrico de MTT.Resultados. El veneno de T. macrochirus, posee péptidos con pesos moleculares entre 3 a 10kDa, que fueron parcialmente purificados por medio de ultrafiltración y evaluados por RP¬HPLC. Los ensayos de citotoxicidad con el veneno total T. macrochirus, mostraron mayor disminución de viabilidad en la línea celular PC3, con respecto a las demás líneas celulares evaluadas y la fracción parcialmente purificada de péptidos, logró disminuir la viabilidad en la línea celular HeLa.Conclusión. En el veneno de T. macrochirus se encuentran péptidos que presentaron actividad citotóxica sobre algunas líneas celulares provenientes de tumores, observándose algún tipo de selectividad frente a las diferentes líneas celulares evaluadas.
From the Ground Up: A Group Editorial on the Most Pressing Issues in Scholarly Communication
Authors: Agate Nicky , Clement Gail , Kingsley Danny , Searle Sam , Vanderjagt Leah , Waller Jen , Schlosser Melanie , Newton Mark
Published: May 2017

A group editorial from the JLSC Editorial Board
Sooty tern (Onychoprion fuscatus) survival, oil spills, shrimp fisheries, and hurricanes
Authors: Huang Ryan M. , Bass Jr Oron L. , Pimm Stuart L.
Published: May 2017

Migratory seabirds face threats from climate change and a variety of anthropogenic disturbances. Although most seabird research has focused on the ecology of individuals at the colony, technological advances now allow researchers to track seabird movements at sea and during migration. We combined telemetry data on Onychoprion fuscatus (sooty terns) with a long-term capture-mark-recapture dataset from the Dry Tortugas National Park to map the movements at sea for this species, calculate estimates of mortality, and investigate the impact of hurricanes on a migratory seabird. Included in the latter analysis is information on the locations of recovered bands from deceased individuals wrecked by tropical storms. We present the first known map of sooty tern migration in the Atlantic Ocean. Our results indicate that the birds had minor overlaps with areas affected by the major 2010 oil spill and a major shrimp fishery. Indices of hurricane strength and occurrence are positively correlated with annual mortality and indices of numbers of wrecked birds. As climate change may lead to an increase in severity and frequency of major hurricanes, this may pose a long-term problem for this colony.
USP4 interacts and positively regulates IRF8 function via K48‐linked deubiquitination in regulatory T cells
Authors: Lin Ruirong , Nie Jia , Ren Jiazi , Liang Rui , Li Dan , Wang Ping , Gao Chengjiang , Zhuo Changhua , Yang Chunkang , Li Bin
Published: May 2017

CD4+CD25+ regulatory T (Treg) cells comprise a unique subset of T cells required for maintaining immune homeostasis. However, the molecular mechanisms associated with the functional variety of Treg cells are not fully delineated. In the present study, we demonstrate that ubiquitin‐specific protease (USP)4 physically interacted with interferon regulatory factor 8 (IRF8) function via a K48‐linked deubiquitinase, which stabilized IRF8 protein levels in Treg cells. Depletion of USP4 promoted the polyubiquitination of IRF8 and the upregulation of type 2 inflammatory cytokine gene expression in Treg cells. Consistently, treatment of Treg cells with USP4 inhibitor facilitated the polyubiquitination of IRF8. In addition, the deficiency of USP4 alleviated the suppressive function of Treg cells. Taken together, our results suggest that USP4 interacts with and stabilizes IRF8 to promote the suppressive function of Treg cells.
Contributions of wildland fire to terrestrial ecosystem carbon dynamics in North America from 1990 to 2012
Authors: Chen Guangsheng , Hayes Daniel J. , David McGuire A.
Published: May 2017

Burn area and the frequency of extreme fire events have been increasing during recent decades in North America, and this trend is expected to continue over the 21st century. While many aspects of the North American carbon budget have been intensively studied, the net contribution of fire disturbance to the overall net carbon flux at the continental scale remains uncertain. Based on national scale, spatially explicit and long‐term fire data, along with the improved model parameterization in a process‐based ecosystem model, we simulated the impact of fire disturbance on both direct carbon emissions and net terrestrial ecosystem carbon balance in North America. Fire‐caused direct carbon emissions were 106.55 ± 15.98 Tg C/yr during 1990–2012; however, the net ecosystem carbon balance associated with fire was −26.09 ± 5.22 Tg C/yr, indicating that most of the emitted carbon was resequestered by the terrestrial ecosystem. Direct carbon emissions showed an increase in Alaska and Canada during 1990–2012 as compared to prior periods due to more extreme fire events, resulting in a large carbon source from these two regions. Among biomes, the largest carbon source was found to be from the boreal forest, primarily due to large reductions in soil organic matter during, and with slower recovery after, fire events. The interactions between fire and environmental factors reduced the fire‐caused ecosystem carbon source. Fire disturbance only caused a weak carbon source as compared to the best estimate terrestrial carbon sink in North America owing to the long‐term legacy effects of historical burn area coupled with fast ecosystem recovery during 1990–2012.
Precessional variability of87Sr/86Sr in the late Miocene Sorbas Basin: An interdisciplinary study of drivers of interbasin exchange
Authors: Modestou Sevasti , Simon Dirk , Gutjahr Marcus , Marzocchi Alice , Kouwenhoven Tanja J. , Ellam Rob M. , Flecker Rachel
Published: May 2017

We present the first subprecessional record of seawater87Sr/86Sr isotope ratios for a marginal Mediterranean subbasin. The sediments contained in this interval (three precessional cycles between 6.60 and 6.55 Ma) are important because they record conditions during the transition to the Messinian Salinity Crisis (MSC; 5.97 to 5.33 Ma), an event for which many details are still poorly understood. The record, derived from planktic foraminifera of the late Miocene Sorbas Basin (SE Spain), shows brief excursions with precessional cyclicity to87Sr/86Sr ratios higher than coeval ocean87Sr/86Sr. The hydrologic conditions required to generate the observed record are investigated using box modeling, constrained using a new paleodepth estimate (150 to 250 m) based on benthic foraminiferal assemblages. The box model results highlight the role of climate‐driven interbasin density contrast as a significant driver of, or impediment to, exchange. The results are particularly significant in the context of the MSC, where87Sr/86Sr excursions have been interpreted purely as a consequence of physical restriction. To replicate the observed temporal patterns of lithological variations and87Sr/86Sr isotope excursions, the Sorbas Basin “box” must have a mainly positive hydrologic budget, in contrast with the Mediterranean's negative budget during the late Miocene. This result has implications for the assumption of synchronous deposition of specific sedimentary layers (sapropels) between marginal and open Mediterranean settings at subprecessional resolution. A net positive hydrologic budget in marginal Mediterranean subbasins may reconcile observations of freshwater inclusions in gypsum deposits.
Thick‐skinned tectonics within the intracontinental easternmost Atlas foreland‐and‐thrust belt (Tunisia): Meso‐Cenozoic kinematics and implications for regional geodynamics
Authors: Belkhiria W. , Boussiga H. , Inoubli M. H.
Published: May 2017

The transition zone between western and central Mediterranean domains presents a key area to investigate kinematic interactions within the adjacent orogen systems such as the easternmost Atlas foreland‐and‐thrust belt. Gravity and seismic data revealed a highly structured basement, characterizing a series of structural highs and lows delimited by high‐angle N‐S, E‐W, and NW‐SE extensional faults. This basement architecture is inherited from successive extensional events related to the openings of the Triassic‐Early Cretaceous Tethys oceans (i.e., Alpine Tethys, Ligurian Tethys, and Mesogea). Throughout this period, this mosaic of continental blocks significantly controlled the thickness and facies distributions. Early stages of diapirism took place along these basement faults and allowed maximum subsidence in minibasins revealed by the development of growth strata. In response to the Late Cretaceous‐Eocene shortenings, these extensional faults have been reactivated as trasnpressional shear zones, giving rise to narrow pop‐up structures. In addition, gravity modeling indicates crustal thinning and deep‐rooted faults affecting the crust south of the Zaghouan Thrust and along E‐W transfer zones. From the late Miocene, a drastic change in the stress regime is attributed to the effect of the adjacent Sicily channel on the study area. This promotes crustal thinning, basin subsidence, and channeling up of mantle‐derived helium along lithospheric‐scale weak zones. Our results give rise to new insights into the reactivation of inherited weakness zones of southern Tethys margin in response to the complex interaction between African and Eurasian plates accommodated by subduction, rollback, collision, and slab segmentation.
Tectonic drivers of the Wrangell block: Insights on fore‐arc sliver processes from 3‐D geodynamic models of Alaska
Authors: Haynie K. L. , Jadamec M. A.
Published: May 2017

Intracontinental shear zones can play a key role in understanding how plate convergence is manifested in the upper plate in regions of oblique subduction. However, the relative role of the driving forces from the subducting plate and the resisting force from within intracontinental shear zones is not well understood. Results from high‐resolution, geographically referenced, instantaneous 3‐D geodynamic models of flat slab subduction at the oblique convergent margin of Alaska are presented. These models investigate how viscosity and length of the Denali fault intracontinental shear zone as well as coupling along the plate boundary interface modulate motion of the Wrangell block fore‐arc sliver and slip across the Denali fault. Models with a weak Denali fault (1017 Pa s) and strong plate coupling (1021 Pa s) were found to produce the fastest motions of the Wrangell block (∼10 mm/yr). The 3‐D models predict along‐strike variation in motion along the Denali fault, changing from dextral strike‐slip motion in the eastern segment to oblique convergence toward the fault apex. Models further show that the flat slab drives oblique motion of the Wrangell block and contributes to 20% (models with a short fault) and 28% (models with a long fault) of the observed Quaternary slip rates along the Denali fault. The 3‐D models provide insight into the general processes of fore‐arc sliver mechanics and also offer a 3‐D framework for interpreting hazards in regions of flat slab subduction.
Changing patterns of exhumation and denudation in front of an advancing crustal indenter, Tauern Window (Eastern Alps)
Authors: Favaro S. , Handy M. R. , Scharf A. , Schuster R.
Published: May 2017

The changing shape of indenting crustal blocks during northward motion of the Adriatic microplate induced migration of Miocene doming and orogen‐parallel extension of orogenic crust in the Tauern Window. New structural and kinematic data indicate that initial shortening of the Penninic nappe pile in the Tauern Window by upright folding and strike‐slip faulting was transitional to coeval north‐south shortening and east‐west extension; the latter was accommodated by normal faulting at the eastern and western margins of the window. Retrodeforming these post‐nappe structures in map view yields a map‐view reconstruction of the orogenic crust back to 30 Ma, including the onset of pronounced indentation at ~21 Ma. This model supports the notion that indentation involved approximately equal amounts of north‐south shortening and orogen‐parallel stretching and extrusion toward the Pannonian Basin, as measured from the indenter tip to the European foreland in the north and Austroalpine units in the east. Comparison of areal denudation of the orogenic crust before and after indentation indicates that erosion associated with upright folding was the primary agent of denudation, whereas extensional unroofing and limited erosion along normal faults at the eastern and western ends of the Tauern Window accounted for only about a third of the total denudation.
The polyphased tectonic evolution of the Anegada Passage in the northern Lesser Antilles subduction zone
Authors: Laurencin M. , Marcaillou B. , Graindorge D. , Klingelhoefer F. , Lallemand S. , Laigle M. , Lebrun J.‐F.
Published: May 2017

The influence of the highly oblique plate convergence at the northern Lesser Antilles onto the margin strain partitioning and deformation pattern, although frequently invoked, has never been clearly imaged. The Anegada Passage is a set of basins and deep valleys, regularly related to the southern boundary of the Puerto Rico‐Virgin Islands (PRVI) microplate. Despite the publications of various tectonic models mostly based on bathymetric data, the tectonic origin and deformation of this Passage remains unconstrained in the absence of deep structure imaging. During cruises Antithesis 1 and 3 (2013–2016), we recorded the first deep multichannel seismic images and new multibeam data in the northern Lesser Antilles margin segment in order to shed a new light on the structure and tectonic pattern of the Anegada Passage. We image the northeastern extent of the Anegada Passage, from the Sombrero Basin to the Lesser Antilles margin front. Our results reveal that this northeastern segment is an EW trending left‐stepping en échelon strike‐slip system that consists of the Sombrero and Malliwana pull‐apart basins, the Malliwana and Anguilla left‐lateral faults, and the NE‐SW compressional restraining bend at the Malliwana Hill. Reviewing the structure of the Anegada Passage, from the south of Puerto Rico to the Lesser Antilles margin front, reveals a polyphased tectonic history. The Anegada Passage is formed by a NW‐SE extension, possibly related to the rotation or escape of PRVI block due to collision of the Bahamas Bank. Currently, it is deformed by an active WNW‐ESE strike‐slip deformation associated to the shear component of the strain partitioning resulting from the subduction obliquity.
N‐Heterocyclic Carbene‐Catalyzed Mannich Reaction for the Synthesis of β‐Amino Ketones: N,N‐Dimethylformamide as Carbon Source
Authors: Alanthadka Anitha , Devi E. Sankari , Selvi A. Tamil , Nagarajan Subbiah , Sridharan Vellaisamy , Maheswari C. Uma
Published: May 2017

The efficiency of N,N‐dimethylformamide (DMF) in the N‐heterocyclic carbene‐catalyzed Mannich reaction for the synthesis of β‐amino ketones has been demonstrated. This strategy involves oxidative coupling of aryl methyl ketones and 2‐aminopyridines in the presence of DMF. The reaction does not require pre‐functionalization of the substrates, thus making it a practically applicable approach for the generation of β‐amino ketones. The reaction requires the use of tin(II) chloride dihydrate (SnCl2⋅2 H2O) as Lewis acid in the presence of tert‐butyl hydroperoxide (TBHP) as the oxidant. The reaction was tolerant to several aryl methyl ketones, including 2‐acetylnaphthalene and acetylthiophene. Various substituted 2‐aminopyridines react with acetophenone to give the desired β‐amino ketones in good yields.

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Synthesis of Nitrogen‐Containing Heterocycles and Cyclopentenone Derivatives via Phosphine‐Catalyzed Michael Addition/Intramolecular Wittig Reaction
Authors: Saleh Nidal , Blanchard Florent , Voituriez Arnaud
Published: May 2017

The phosphine‐catalyzed Michael addition/intramolecular Wittig reaction between dialkyl acetylenedicarboxylate and amino‐carbaldehyde or amino ester derivatives has been developped. This reaction can be rendered catalytic in phosphine by the in situ chemoselective reduction of the phosphine oxide with silane. This methodology enables rapid access to a variety of nitrogen‐containing heterocycles, which are present in numerous natural products and/or bioactive compounds. Either classical heating or microwave conditions give access to the desired products in good yields (15 examples, 60–99% yields). This catalytic methodology is further applicable to the synthesis of enantioenriched 1H‐pyrrole derivatives, with the use of chiral phosphines. Finally, we successfully extended the reaction to the synthesis of a polysubstituted cyclopentenone, starting from butane‐2,3‐dione as substrate.

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Exploring Multistep Continuous‐Flow Hydrosilylation Reactions Catalyzed by Tris(pentafluorophenyl)borane
Authors: Wilkins Lewis C. , Howard Joseph L. , Burger Stefan , Frentzel‐Beyme Louis , Browne Duncan L. , Melen Rebecca L.
Published: May 2017

Exploring the combination of continuous‐flow processes with the boron Lewis acid catalyzed hydrosilylation of aldehydes and ketones has delivered a robust and generally applicable reaction protocol. Notably this approach permits ready access to high temperatures and pressures and thus allows improved reactivity of substrates that were previously recalcitrant under the traditional approach. Efforts to quench the output from the flow reactor with water showed surprising tolerance leading to the application of continuous‐flow systems in multistep imine formation/hydrosilylation processes to generate the corresponding secondary amines from their aldehyde and aniline precursors.

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Organocatalyzed Deracemization of Δ2‐Pyrrolin‐4‐ones
Authors: Ričko Sebastijan , Meden Anže , Ivančič Anže , Perdih Andrej , Štefane Bogdan , Svete Jurij , Grošelj Uroš
Published: May 2017

Racemic pyrrolin‐4‐ones, accessible from α‐amino acids, undergo asymmetric stereoselective organocatalyzed 1,4‐additions to trans‐β‐nitrostyrenes (up to 98 % ee; dr up to 97:3). From a series of typical organocatalysts, the best performance was achieved using (+)‐camphor‐1,3‐diamine‐derived bifunctional organocatalysts. A broad substrate scope and some follow‐up modifications have been demonstrated.

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A critical review of statistical calibration/prediction models handling data inconsistency and model inadequacy
Authors: Pernot Pascal , Cailliez Fabien
Published: May 2017

Inference of physical parameters from reference data is a well‐studied problem with many intricacies (inconsistent sets of data due to experimental systematic errors; approximate physical models…). The complexity is further increased when the inferred parameters are used to make predictions—virtual measurements—because parameter uncertainty has to be estimated in addition to parameters best value. The literature is rich in statistical models for the calibration/prediction problem, each having benefits and limitations. We review and evaluate standard and state‐of‐the‐art statistical models in a common Bayesian framework, and test them on synthetic and real datasets of temperature‐dependent viscosity for the calibration of the Lennard‐Jones parameters of a Chapman‐Enskog model. © 2017 American Institute of Chemical Engineers AIChE J, 63: 4642–4665, 2017
Predicting solvent effects on the 1‐dodecene hydroformylation reaction equilibrium
Authors: Lemberg Max , Sadowski Gabriele , Gerlach Martin , Kohls Emilija , Stein Matthias , Hamel Christof , Seidel‐Morgenstern Andreas
Published: May 2017

Solvent effects on the reaction equilibrium of the 1‐dodecene hydroformylation in a decane/N,N‐dimethylformamide solvent system is investigated. The reaction was performed at different decane/N,N‐dimethylformamide ratios and at temperatures between 368 K and 388 K. The equilibrium concentrations of all reactants and products were determined experimentally. The enthalpy and Gibbs energy of this reaction at the ideal‐gas standard state were determined by quantum‐chemical calculations in good agreement with literature data. Moreover, quantum‐chemically calculated standard Gibbs energies of reaction at infinite dilution in liquid decane/DMF‐solvent mixtures allowed a qualitative prediction of the solvent effect on the equilibrium concentrations. Based on the standard Gibbs energy of reaction at the ideal‐gas standard state and on fugacity coefficients calculated using the Perturbed‐Chain Statistical Associating Fluid Theory, the equilibrium concentrations of reactants and products for the 1‐dodecene hydroformylation performed in decane/N,N‐dimethylformamide mixtures of different compositions could be predicted in very good agreement with experimental data. © 2017 American Institute of Chemical Engineers AIChE J, 63: 4576–4585, 2017
A multicontinuum approach for the problem of filtration of oily water systems across thin flat membranes: I. The framework
Authors: Salama Amgad , Zoubeik Mohamed , Henni Amr
Published: May 2017

A multicontinuum model is built to estimate the permeate flux of an oily water system across a thin flat membrane in cross filtration methodology is demonstrated. Several continua are constructed to represent droplet and pore‐size distribution of both the dispersed oil phase and the porous membrane, respectively. The possible permeation of the oil phase has been divided into three criteria. In the first criterion, oil droplets of a given size range may permeate through a given size range of the porous membrane, in the second criterion, oil droplets of another size range may be rejected through another pore size range, and in the third criterion, oil droplets may break apart leaving a tail inside the pore space, which will eventually permeate, and the rest will sweep off due to shear stress. These protocols identify the methodology of the proposed multicontinuum approach, which is introduced in this first part. © 2017 American Institute of Chemical Engineers AIChE J, 63: 4604–4615, 2017
Molekulare Knoten
Authors: Fielden Stephen D. P. , Leigh David A. , Woltering Steffen L.
Published: May 2017

Der erste synthetische Kleeblattknoten wurde in den späten 1980er Jahren hergestellt. Kompliziertere Knotentopologien wurden jedoch erst in den letzten Jahren in molekularer Form erhalten. Die Verknotung molekularer Stränge erzeugt sterische Einschränkungen und kann so wichtige physikalische und chemische Eigenschaften verleihen, unter anderem Chiralität, starkes und selektives Binden von Ionen und katalytische Aktivität. Da die Anzahl und Komplexität molekularer Knoten steigt, wird es für Chemiker immer wichtiger, die Knotennomenklatur anderer Disziplinen zu verwenden. Hier geben wir einen Überblick über die Synthesestrategien für molekulare Knoten und beschreiben die Grundlagen der Knoten‐, Zopf‐ und Tangle‐Theorie in einem für Chemiker und molekulare Strukturen angemessenen Umfang.
Molecular Knots
Authors: Fielden Stephen D. P. , Leigh David A. , Woltering Steffen L.
Published: May 2017

The first synthetic molecular trefoil knot was prepared in the late 1980s. However, it is only in the last few years that more complex small‐molecule knot topologies have been realized through chemical synthesis. The steric restrictions imposed on molecular strands by knotting can impart significant physical and chemical properties, including chirality, strong and selective ion binding, and catalytic activity. As the number and complexity of accessible molecular knot topologies increases, it will become increasingly useful for chemists to adopt the knot terminology employed by other disciplines. Here we give an overview of synthetic strategies towards molecular knots and outline the principles of knot, braid, and tangle theory appropriate to chemistry and molecular structure.
Supported C‐Scorpionate Vanadium(IV) Complexes as Reusable Catalysts for Xylene Oxidation
Authors: Wang Jiawei , Martins Luísa M. D. R. S. , Ribeiro Ana P. C. , Carabineiro Sónia A. C. , Figueiredo José L. , Pombeiro Armando J. L.
Published: May 2017

C‐Scorpionate vanadium(IV) [VOxCl3−x{κ3‐RC(pz)3}] [pz=pyrazol‐1‐yl; x=0, R=SO3 (1); x=1, R=CH2OH (2) or CH2OSO2Me (3)] complexes supported on functionalized carbon nanotubes (CNTs) are the first V‐scorpionate catalysts used so far for the neat oxidation of o‐, m‐ or p‐xylene, with TBHP (70 % aqueous solution), to the corresponding toluic acids (main products), tolualdehydes and methylbenzyl alcohols. Remarkably, a p‐toluic acid yield of 43 % (73 % selectivity, TON=1.34×103) was obtained with 2@CNT in a simple microwave‐assisted mild oxidation procedure, using a very low catalyst charge (3.2×10−2 mol % vs. substrate). Further, this occurred in the absence of any bromine source, what is significant towards the development of a greener and more sustainable process for oxidation of xylenes. Moreover, reuse of catalysts with preservation of their activity was found for up to six consecutive cycles. The effects of reaction parameters, such as reaction time, temperature, amount of catalyst or type of heating source, on the performance of the above catalytic systems are reported and discussed.
Screening free radical scavengers in Xiexin Tang by HPLC‐ABTS‐DAD‐Q‐TOF/MS
Authors: Wang Yu‐Qing , Li Shu‐Jiao , Zhuang Guo , Geng Rong‐Hui , Jiang Xu
Published: May 2017

Xiexin Tang (XXT) is a traditional Chinese medicine (TCM) that has been used in herbal clinics for more than 1800 years. Many studies have shown that XXT has therapeutic effects on patients with arteriosclerosis owing to its antioxidant activity. However, there is little information about the relationship between the chemical composition of XXT and its antioxidant activity. In this study, the HPLC‐ABTS‐DAD‐Q‐TOF/MS method, which can simultaneously identify individual components and rapidly screen for antioxidant compounds, was used to screen and identify antioxidant components in XXT. The 15 compounds identified were gluco‐syringic acid, adenine, gallic acid, biflorin, cularine, 6‐C‐arabinose‐8‐C‐glucose‐chrysin, 6‐C‐glucose‐8‐C‐arabinose–chrysin, baicalin, rhein‐8‐O‐β‐d‐glucopyranoside, coptisine, epiberberine, jatrorrhizine, norwogonin, 5,7,2′‐trihydroxy‐6‐ methoxyflavone and baicalein. In addition, the data showed that the antioxidant activity of peaks 4, 6, and 11 was lower in XXT than in its constituent herbs, while the activity of peaks 1, 2, 3, 5, 7, 8, 10, 12, 13, 14 and 15 was higher in XXT. Compound 5 had the strongest antioxidant activity in XXT, while compound 1 showed the strongest antioxidant activity among its constituent herb. The differences between antioxidant activities of major components of XXT and those of its constituent herbs might be due to the interaction of crude drugs that changes the solubility of active components during the decoction process. The results show that the HPLC‐ABTS‐DAD‐Q‐TOF/MS method can successfully combine on‐line mass spectrometry with activity detection system. It is a useful tool for the rapid detection and identification of antioxidants, and for quantitative analysis of individual antioxidants in complex mixtures such as plant extracts. Furthermore, this method does not require extensive extract purification and fraction collection.
Terpenes as Useful Markers in Differentiation of Natural Populations of Relict Pines Pinus heldreichii, P. nigra, and P. peuce
Authors: Mitić Zorica S. , Nikolić Biljana M. , Ristić Mihailo S. , Tešević Vele V. , Bojović Srdjan R. , Marin Petar D.
Published: May 2017

Comparative analysis of terpene diversity and differentiation of relict pines Pinus heldreichii, P. nigra, and P. peuce from the central Balkans was performed at the population level. Multivariate statistical analyses showed that the composition of needle terpenes reflects clear divergence among the pine species from different subgenera: P. peuce (subgenus Strobus) vs. P. nigra and P. heldreichii (subgenus Pinus). In addition, despite the described morphological similarities and the fact that P. nigra and P. heldreichii may spontaneously hybridize, our results indicated differentiation of their populations naturally growing in the same area. In accordance with recently proposed concept of ‘flavonic evolution’ in the genus Pinus, we assumed that the terpene profile of soft pine P. peuce, defined by high amounts of six monoterpenes, is more basal than those of hard pines P. nigra and P. heldreichii, which were characterized by high content levels of mainly sesquiterpenes. In order to establish precise positions of P. heldreichii, P. nigra and P. peuce within the taxonomic and phylogenetic tree, as well as develop suitable conservation strategies and future breeding efforts, it is necessary to perform additional morphological, biochemical, and genetic studies.
Salvia officinalis L. Essential Oils from Spain: Determination of Composition, Antioxidant Capacity, Antienzymatic, and Antimicrobial Bioactivities
Authors: Cutillas Ana‐Belen , Carrasco Alejandro , Martinez‐Gutierrez Ramiro , Tomas Virginia , Tudela Jose
Published: May 2017

Four essential oils (EOs) from Salvia officinalis L. cultivated in Spain (Murcia Province) were analyzed by gas chromatography coupled with mass spectrometry (GC/MS) to determine their relative and absolute compositions. The main components were α‐thujone (22.8 – 41.7%), camphor (10.7 – 19.8%), 1,8‐cineole (4.7 – 15.6%), and β‐thujone (6.1 – 15.6%). Enantioselective gas chromatography identified (−)‐α‐thujone and (+)‐camphor as the main enantiomers in all the analyzed EOs. Furthermore, when the EOs were tested to determine their antioxidant activity against free radicals and as ferric reducing and ferrous chelating agents, all were seen to have moderate activity due to the compounds they contained, such as linalool or terpinene. Because of their known relation with inflammatory illnesses and Alzheimer's disease, respectively, the inhibition of lipoxygenase and acetylcholinesterase was studied using the EOs. Some individual compounds also inhibited these enzymes. In addition, the studied EOs were able to inhibit the growth of Escherichia coli, Staphylococcus aureus, and Candida albicans. The characterization carried out increases our awareness of the possible uses of S. officinalis EO as natural additives in food, cosmetics, and pharmaceuticals.
Prostate cancer molecular profiling: the Achilles heel for the implementation of precision medicine
Authors: Oliveira‐Barros Eliane Gouvêa , Nicolau‐Neto Pedro , Da Costa Nathalia Meireles , Pinto Luís Felipe Ribeiro , Palumbo Antonio , Nasciutti Luiz Eurico
Published: May 2017

Cancer has been mainly treated by traditional therapeutic approaches which do not consider the human genetic diversity and present limitations, probably as a consequence of a poor knowledge of both patient's genetic background and tumor biology. Due to genome project conclusion and large‐scale gene analyses emergence, the therapeutic management of several prevalent and aggressive tumors has dramatically improved and represents the closest examples of a precision medicine intervention in this field. Nonetheless, prostate cancer (PCa) remains as a challenge to personalized medicine implementation, probably due to its notorious heterogeneous molecular profile. Cancer treatment personalized approaches rely on the premise that a well‐defined panorama of tumor molecular alterations can help selecting new and specific therapeutic targets for its treatment and potentially discriminate tumors which behave differentially. Lately, molecular and genetic studies have been investigating PCa basis, revealing multiple recurrent genomic alterations that include mutations, DNA copy‐number variations, rearrangements, and gene fusions, among others. In addition to the increment on PCa molecular biology knowledge, mapping the molecular alterations pattern of this neoplasia, especially the differences existent between tumors displaying distinct behaviors, could represent a great improvement concerning the identification of new targets, personalized medicine, and patients’ management and prognosis.
Acromelia‐oligodontia syndrome
Authors: Talasila Jyothirmai , Pachigolla Ramaswamy , Yarlagadda Kiranmai V. S. N. , Vuppala Ramu , Grzeschik Karl‐Heinz , Kiran K.V.S Sai , Rose Catherine M. , Gottesman Gary S. , Urban Zsolt
Published: May 2017

Key Clinical Message

This case report describes a patient with ankyloglossia, oligodontia, unilateral hypoplasia of the zygoma and mandible, along with bilateral distal reduction anomalies of his limbs without long bone abnormalities. This may represent a mild variant of oromandibular limb hypogenesis syndrome, expanding the phenotypic spectrum, or a previously unrecognized malformation syndrome.
Direct Insight into Ethane Oxidative Dehydrogenation over Boron Nitrides
Authors: Huang Rui , Zhang Bingsen , Wang Jia , Wu Kuang‐Hsu , Shi Wen , Zhang Yajie , Liu Yuefeng , Zheng Anmin , Schlögl Robert , Su Dang Sheng
Published: May 2017

The ultimate objective of chemical conversion is to achieve 100 % selectivity from catalysis, and this is also a prodigious challenge for the conversion of light paraffins into olefins, because it involves controlled activation of highly stable aliphatic C−H bonds. Herein, we show that metal‐free boron nitride (BN) nanosheets not only enable the oxidative dehydrogenation of ethane to ethylene exclusively at near 10 % conversion, but they also deliver a remarkable 60 % selectivity at an ethane conversion of 78 % and remain stable over 400 h at 575 °C. Our operando infrared spectroscopy and 18O isotope tracer study explicitly demonstrates that B−O(H) active sites are formed at the edges of BN through the aid of ethane, and the dehydrogenation circle is completed over these B−O sites by the assistance of O2.
2′β‐Fluoro‐Tricyclo Nucleic Acids (2′F‐tc‐ANA): Thermal Duplex Stability, Structural Studies, and RNase H Activation
Authors: Istrate Alena , Katolik Adam , Istrate Andrei , Leumann Christian J.
Published: May 2017

We describe the synthesis, thermal stability, structural and RNase H activation properties of 2′β‐fluoro‐tricyclo nucleic acids (2′F‐tc‐ANA). Three 2′F‐tc‐ANA nucleosides (T, 5MeC and A) were synthesized starting from a previously described fluorinated tricyclo sugar intermediate. NMR analysis and quantum mechanical calculations indicate that 2′F‐tc‐ANA nucleosides prefer sugar conformations in the East and South regions of the pseudorotational cycle. UV‐melting experiments revealed that non‐consecutive insertions of 2′F‐tc‐ANA units in DNA reduce the affinity to DNA and RNA complements. However, an oligonucleotide with five contiguous 2′F‐tc‐ANA‐T insertions exhibits increased affinity to complementary RNA. Moreover, a fully modified 10‐mer 2′F‐tc‐ANA oligonucleotide paired to both DNA (+1.6 °C/mod) and RNA (+2.5 °C/mod) with significantly higher affinity compared to corresponding unmodified DNA, and similar affinity compared to corresponding tc‐DNA. In addition, CD spectroscopy and molecular dynamics simulations indicate that the conformation of the 2′F‐tc‐ANA/RNA duplex is similar to that of a DNA/RNA duplex. Moreover, in some sequence contexts, 2′F‐tc‐ANA promotes RNase H‐mediated cleavage of a complementary RNA strand. Taken together, 2′F‐tc‐ANA represents a nucleic acid analogue that offers the advantage of high RNA affinity while maintaining the ability to activate RNase H, and can be considered a prospective candidate for gene silencing applications.
A Spontaneous Structural Transition of {U24Pp12} Clusters Triggered by Alkali Counterion Replacement in Dilute Solution
Authors: Gao Yunyi , Dembowski Mateusz , Szymanowski Jennifer E. S. , Yin Wenbin , Chuang Steven S. C. , Burns Peter C. , Liu Tianbo
Published: May 2017

A transition between two isomeric clusters involving the change of the main skeleton structure of a well‐defined, rigid molecular cluster [(UO2)24(O2)24(P2O7)12]48−, {U24Pp12}, is achieved by simply introducing proper alkali cations into its dilute aqueous solution. While the unique structural transition can be triggered by introducing any of the Na+/K+/Rb+/Cs+ alkali ions, the two isomers, Li/Na‐{U24Pp12} and Na/K‐{U24Pp12}, as typical macroions, can accurately choose among different alkali counter‐cations based on their hydrated sizes, and the ion selectivity process clearly showed endothermic features. The preferred K+ and Rb+ ions have suitable sizes to be incorporated into the proper windows on {U24Pp12} nanocapsules, as supported by the transition points in both ITC studies and IR measurements.
The SENSEable Pisa Project: Citizen‐Participation in Monitoring Acoustic Climate of Mediterranean City Centers
Authors: Vinci Bruna , Tonacci Alessandro , Caudai Claudia , De Rosa Paolo , Nencini Luca , Pratali Lorenza
Published: May 2017

The concept of urban sustainability and liveability closely depends on multi‐level approaches to environmental issues. The ultimate goal in the field of noise management is to involve citizens and facilitate their participation in urban environmental decisions. The SENSEable Pisa project, based on the concept of Real‐Time City and Smart City, presents an acoustic urban monitoring system based on a low‐cost data acquisition method for a pervasive outdoor noise measurement. The system is based on the use of noise sensors located on private houses in the center of Pisa, which provide a good model for the current acoustic climate of Mediterranean city centers. In this study, SENSEable acquisitions show a strong anthropogenic component not revealed by public strategic maps. The anthropogenic component, commonly known as movida, becomes increasingly critical in Mediterranean cities, therefore, it is necessary to explore methods highlighting this new source and to adopt strategies for the creation of reliable noise pollution maps.
The effect of statins on renal outcomes in patients with diabetic kidney disease: A systematic review and meta‐analysis
Authors: Qin Xin , Dong Hui , Fang Ke , Lu Fuer
Published: May 2017

The effects of statins on renal outcomes in patients with diabetic kidney disease were conflicting. The aim of the study was to investigate whether statins treatment could affect renal outcomes (albuminuria or proteinuria, estimated glomerular filtration rate [eGFR]) for diabetic kidney disease patients. We searched the PubMed, OVID (including MEDLINE and EMBASE), Web of Science and the Cochrane Central Register of Controlled Trials. Randomized controlled trials evaluating the efficacy of statins in diabetic kidney disease patients were selected. The main outcomes were albuminuria (or proteinuria). Secondary outcomes were levels of eGFR. Two authors independently assessed study quality and extracted the information from enrolled trials. Eleven randomized controlled trials with a total number of 543 diabetic kidney disease participants were included in our study. The overall estimates showed that statins statistically reduced albuminuria (standardized mean differences −0.71, 95% CI −1.20 to −0.23, P = .004), though marked heterogeneity was found within studies. However, the analysis results indicated that statins could not reduce overt proteinuria (standardized mean differences −0.14, 95% CI −0.53 to 0.26, P = .49) or slow the rate of reduction in eGFR (standardized mean differences 0.06, 95% CI −0.14 to 0.26, P = .53). In general, our study demonstrated that statins might have beneficial effects on reducing albuminuria in diabetic kidney disease patients. However, there was no strong evidence that the same intervention had an effect on overt proteinuria or eGFR outcomes in these patients.
Chronic effects of an invasive species on an animal community
Authors: Doody J. Sean , Rhind David , Green Brian , Castellano Christina , McHenry Colin , Clulow Simon
Published: May 2017

Invasive species can trigger trophic cascades in animal communities, but published cases involving their removal of top predators are extremely rare. An exception is the invasive cane toad (Rhinella marina) in Australia, which has caused severe population declines in monitor lizards, triggering trophic cascades that facilitated dramatic and sometimes unexpected increases in several prey of the predators, including smaller lizards, snakes, turtles, crocodiles, and birds. Persistence of isolated populations of these predators with a decades‐long sympatry with toads suggests the possibility of recovery, but alternative explanations are possible. Confirming predator recovery requires longer‐term study of populations with both baseline and immediate post‐invasion densities. Previously, we quantified short‐term impacts of invasive cane toads on animal communities over seven years at two sites in tropical Australia. Herein, we test the hypothesis that predators have begun to recover by repeating the study 12 yr after the initial toad invasion. The three predatory lizards that experienced 71–97% declines in the short‐term study showed no sign of recovery, and indeed a worse fate: two of the three species were no longer detectable in 630 km of river surveys, suggesting local extirpation. Two mesopredators that had increased markedly in the short term due to these predator losses showed diverse responses in the medium term; a small lizard species increased by ~500%, while populations of a snake species showed little change. Our results indicate a system still in ecological turmoil, having not yet reached a “new equilibrium” more than a decade after the initial invasion; predator losses due to this toxic invasive species, and thus downstream effects, were not transient. Given that cane toads have proven too prolific to eradicate or control, we suggest that recovery of impacted predators must occur unassisted by evolutionary means: dispersal into extinction sites from surviving populations with alleles for toxin resistance or toad avoidance. Evolution and subsequent dispersal may be the only solution for a number of species or communities affected by invasive species for which control is either prohibitively expensive, or not possible.
Selective Synthesis of Highly Functionalized Bicyclic Pyridinone and 1,3‐Oxazinane Derivatives
Authors: Cui Shi‐Sheng , Huang Rong , Luo Da‐Yun , Yan Sheng‐Jiao , Lin Jun
Published: May 2017

Bicyclic pyridinone and 1,3‐oxazinane derivatives (i.e., 3 and 4) have been synthesized by the regioselective condensation reaction of heterocyclic ketene aminals (HKAs) and either ethyl 2‐cyano‐3,3‐bis(methylthio)acrylate or 2‐[bis(methylthio)methylene]malononitrile in xylene at reflux. Pyridinone compounds 3 were efficiently obtained under catalyst‐free conditions, whereas 1,3‐oxazinane derivatives 4 were obtained by adding Cs2CO3 to the reaction mixture under the same conditions. The reactions afforded the products in excellent yields by using inexpensive starting materials and a convenient workup process.
Catalytic Iron(III) Chloride Mediated Site‐Selective Protection of Mono‐ and Disaccharides and One Trisaccharide
Authors: Gouasmat Alexandra , Lemétais Aurélie , Solles Julien , Bourdreux Yann , Beau Jean‐Marie
Published: May 2017

Regioselective differentiation of the hydroxy groups of mono‐ and oligosaccharide substrates is necessary to form building blocks that can be used for synthetic transformations. In this paper, we show that iron(III) chloride hexahydrate catalyses the tandem protection of mono‐ and disaccharides to give, in a one‐pot procedure, selectively protected carbohydrate building blocks. This tandem protocol was successfully applied to a trisaccharide. The procedure is easy to carry out; for optimal results, each carbohydrate substrate required a fine tuning of the one‐pot reaction conditions.
Length scales and statistical characteristics of outer bank roughness for large elongate meander bends: The influence of bank material properties, floodplain vegetation and flow inundation
Authors: Konsoer Kory , Rhoads Bruce , Best James , Langendoen Eddy , Ursic Mick , Abad Jorge , Garcia Marcelo
Published: May 2017

This article explores the length scales and statistical characteristics of form roughness along the outer banks of two elongate bends on a large meandering river through investigation of topographic variability of the bank face. The analysis also examines how roughness varies over the vertical height of the banks and when the banks are exposed subaerially and inundated during flood stage. Detailed data on the topography of the outer banks were obtained subaerially using terrestrial LiDAR during low flow conditions and subaqueously using multibeam echo sounding (MBES) during near‐bankfull conditions. The contributions of various length scales of topographic irregularity to roughness for subaerial conditions were evaluated for different elevation contours on the bank faces using Hilbert–Huang Transform (HHT) spectral analysis. Statistical characteristics for discrete areas on the bank faces were determined by calculating the root‐mean‐square of normal distances from a triangulated irregular network (TIN) surface. Results of the HHT analysis show that the characteristics of roughness along bank faces composed primarily of non‐cohesive sediment, and eroding into cropland, vary with bank elevation and exhibit a dominant range of roughness length scales (~15–50 m). However, bank faces composed predominantly of cohesive material and carved into a forested floodplain have relatively uniform topographic roughness characteristics over the vertical extent of the bank face and do not exhibit a dominant roughness length scale or range of length scales. Additionally, comparison between local surface roughness for subaerial versus subaqueous conditions shows that roughness decreases considerably when the banks are submerged, most likely because of the removal of vegetation and eradication of small‐scale erosional features in non‐cohesive bank materials by flow along the bank face. Thus, roughness appears to be linked to the hydraulic conditions affecting the bank, at least relative to conditions that develop when banks are exposed subaerially. Copyright © 2017 John Wiley & Sons, Ltd.