bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ferrocenoyl‐Substituted Pyrimidine Nucleobases: An Experimental and Computational Study of Regioselective Acylation of Uracil, Thymine, and 5‐Fluorouracil
Authors: Lapić Jasmina , Havaić Valentina , Šakić Davor , Sanković Krešimir , Djaković Senka , Vrček Valerije 
Published: July 2015

AbstractUracil, thymine, and 5‐fluorouracil (5‐FU) have been ferrocenoylated selectively at the N1 position. Deprotonated pyrimidine nucleobases, prepared with sodium hydride (NaH) in N,N‐dimethylformamide (DMF), reacted with either ferrocenoyl chloride (FcCOCl) or ferrocenoyl ethyl carbonate (FcCOOCOOEt), in DMF to give a single product. The regioselectivity of these reactions were analyzed in detail by using NMR spectroscopy and quantum chemical calculations. The 1H and 19F NMR spectra of reaction mixtures, and 13C NMR and 2D NOESY spectra of products, confirmed the formation of the N1‐isomer only. The calculated energy barrier for acetylation at the N3‐position is significantly higher (> 40 kJ/mol), which suggests that the analogous reaction at the N1‐position is kinetically controlled. The nucleophilic addition of pyrimidine bases to the carbonyl group of FcCOCl proceeds through a concerted SN2‐like mechanism with the absence of the generally assumed tetrahedral intermediate.
Time‐lapse electrical resistivity imaging of solute transport in a karst conduit
Authors: Sawyer Audrey H. , Zhu Junfeng , Currens James C. , Atcher Clay , Binley Andrew 
Published: July 2015

AbstractThe use of electrical resistivity surveys to locate karst conduits has shown mixed success. However, time‐lapse electrical resistivity imaging combined with salt injection improves conduit detection and can yield valuable insight into solute transport behaviour. We present a proof of concept above a known karst conduit in the Kentucky Horse Park (Lexington, Kentucky). A salt tracer solution was injected into a karst window over a 45‐min interval, and repeat resistivity surveys were collected every 20 min along a 125‐m transect near a monitoring well approximately 750 m downgradient from the injection site. In situ fluid conductivity measurements in the well peaked at approximately 25% of the initial value about 3 h after salt injection. Time‐lapse electrical resistivity inversions show two broad zones at the approximate conduit depth where resistivity decreased and then recovered in general agreement with in situ measurements. Combined salt injection and electrical resistivity imaging are a promising tool for locating karst conduits. The method is also useful for gaining insight into conduit geometry and could be expanded to include multiple electrical resistivity transects. Copyright © 2015 John Wiley & Sons, Ltd.
An improved model of predicting hepatocarcinogenic potential in rats by using gene expression data
Authors: Yamada Fumihiro , Sumida Kayo , Saito Koichi 
Published: July 2015

AbstractCarcinogenicity studies using animals are expensive and time consuming. Therefore, the development of a highly accurate carcinogenicity prediction system to interpret short‐term test results would be beneficial. The Ames test is popular for mutagens; however, it cannot detect non‐genotoxic carcinogens. Previously, we reported a prediction system using gene expression data obtained from a short‐term (28‐day) study that screened candidate compounds for testing in long‐term carcinogenicity studies. In this study, our system was improved by adding more gene expression data. To establish our new system, we used the data of 93 test compounds (41 hepatocarcinogens and 52 non‐hepatocarcinogens). Analysis of liver gene expression data by dividing compounds into ‘for training’ and ‘for test’ categories (20 cases assigned randomly) using Support Vector Machine (SVM) identified a set of marker probe sets that could be used to predict hepatocarcinogenicity. The assigned 42 probe sets have included the cancer‐ orc‐Myc‐related genes such as Hsp90, Pink1, Hspc111, Fbx29, Hepsin, Syndecan2 and Synbindin. Compared with the older version, the improved system had a higher concordance rate with the training data and a good performance with the external test data. Copyright © 2015 John Wiley & Sons, Ltd.
Automated swimming activity monitor for examining temporal patterns of toxicant effects on individual Daphnia magna
Authors: Bahrndorff Simon , Michaelsen Thomas Yssing , Jensen Anne , Marcussen Laurits Faarup , Nielsen Majken Elley , Roslev Peter 
Published: July 2015

AbstractAquatic pollutants are often biologically active at low concentrations and impact on biota in combination with other abiotic stressors. Traditional toxicity tests may not detect these effects, and there is a need for sensitive high‐throughput methods for detecting sublethal effects. We have evaluated an automated infra‐red (IR) light‐based monitor for recording the swimming activity of Daphnia magna to establish temporal patterns of toxicant effects on an individual level. Activity was recorded for 48 h and the sensitivity of the monitor was evaluated by exposing D. magna to the reference chemicals K2Cr2O7 at 15, 20 and 25 °C and 2,4‐dichlorophenol at 20 °C. Significant effects (P < 0.001) of toxicant concentrations, exposure time and incubation temperatures were observed. At 15 °C, the swimming activity remained unchanged for 48 h at sublethal concentrations of K2Cr2O7 whereas activity at 20 and 25 °C was more biphasic with decreases in activity occurring after 12–18 h. A similar biphasic pattern was observed after 2,4‐dichlorophenol exposure at 20 °C. EC50 values for 2,4‐dichlorophenol and K2Cr2O7 determined from automated recording of swimming activity showed increasing toxicity with time corresponding to decreases in EC50 of 0.03–0.07 mg l–1 h–1. EC50 values determined after 48 h were comparable or lower than EC50 values based on visual inspection according to ISO 6341. The results demonstrated that the swimming activity monitor is capable of detecting sublethal behavioural effects that are toxicant and temperature dependent. The method allows EC values to be established at different time points and can serve as a high‐throughput screening tool in toxicity testing. Copyright © 2015 John Wiley & Sons, Ltd.
Cell perforation mediated by plasmonic bubbles generated by a single near infrared femtosecond laser pulse
Authors: Boutopoulos Christos , Bergeron Eric , Meunier Michel 
Published: July 2015

We report on transient membrane perforation of living cancer cells using plasmonic gold nanoparticles (AuNPs) enhanced single near infrared (NIR) femtosecond (fs) laser pulse. Under optimized laser energy fluence, single pulse treatment (τ = 45 fs, λ = 800 nm) resulted in 77% cell perforation efficiency and 90% cell viability. Using dark field and ultrafast imaging, we demonstrated that the generation of submicron bubbles around the AuNPs is the necessary condition for the cell membrane perforation. AuNP clustering increased drastically the bubble generation efficiency, thus enabling an effective laser treatment using low energy dose in the NIR optical therapeutical window.
Schematic representation of single femtosecond laser pulse plasmonic bubble generation in the vicinity of a cell.magnified imageSchematic representation of single femtosecond laser pulse plasmonic bubble generation in the vicinity of a cell.
Functionalization of Graphene Oxide with 3‐Mercaptopropyltrimethoxysilane and Its Electrocatalytic Activity in Aqueous Medium
Authors: Chekin Fereshteh , Bagheri Samira , Abd Hamid Sharifah Bee 
Published: July 2015

AbstractIn this work, a highly dispersed graphene oxide (GO) was successfully functionalized with 3‐mercaptopropyltrimethoxysilane (MPTS) molecule by silanization method. The chemically generated GO and MPTS functionalized GO (MPTS‐GO) were structurally characterized by thermogravimetric analysis (TGA), X‐ray diffraction analysis (XRD), scanning electron microscope (SEM), energy dispersive X‐ray (EDAX), fourier transform infrared spectroscopy (FT‐IR) and ultraviolet visible spectroscopy (UV‐Vis) techniques. The MPTS‐GO is highly suspensable in water. The thermal and conductivity results for MPTS‐GO are significantly increased compared to GO. Moreover, glassy carbon electrode modified with MPTS‐GO hybrid (MPTS‐GO/GCE) was prepared by casting of the MPTS‐GO solution on GCE. The MPTS‐GO/GCE showed an excellent electrocatalytic activity towards methionine (Met). This was understood from the observed less positive oxidation potential and higher oxidation current when compared to bare GC electrode. The MPTS‐GO has excellent electrocatalytic activity, making it an ideal candidate for sensor applications.
Remediation of diesel‐contaminated soil using in situ chemical oxidation (ISCO) and the effects of common oxidants on the indigenous microbial community: a comparison study
Authors: Chen Ku‐Fan , Chang Yu‐Chen , Chiou Wan‐Ting 
Published: July 2015

AbstractBACKGROUNDIn this study, batch experiments were conducted using diesel‐contaminated soil collected from a former gas station to evaluate the efficiency of diesel removal by in situ chemical oxidation (ISCO) and the effects of different oxidants on the indigenous microbial community.RESULTSDiesel removal efficiencies by persulfate, permanganate, and hydrogen peroxide under different concentrations (1, 3, 5, and 10%) ranged from 48 to 93% during a 120‐day reaction. The performance of diesel removal in the oxidant‐alone systems was persulfate > permanganate > hydrogen peroxide. Oxidant persistence was positively correlated with diesel removal performance. Higher diesel removal efficiencies were observed in the chemical oxidation systems with the presence of microbes. The adverse effects of the oxidants on intrinsic microbes followed the sequence persulfate > permanganate ≈ hydrogen peroxide. The addition of hydrogen peroxide and permanganate caused increased microbial diversity while more serious destruction to the microbial community was observed in the persulfate solution due to low pH (<3.5).CONCLUSIONThe results suggest 1 to 3% of oxidant addition was more suitable for the application of ISCO coupled with intrinsic bioremediation. The addition of 5% oxidants could also be considered. However, pH should be controlled when persulfate is applied. © 2015 Society of Chemical Industry
Whole‐body continuously moving table fat–water MRI with dynamic B0 shimming at 3 Tesla
Authors: Sengupta Saikat , Smith David S. , Gifford Aliya , Welch E. Brian 
Published: July 2015

PurposeThe purpose of this work was to develop a rapid and robust whole‐body fat–water MRI (FWMRI) method using a continuously moving table (CMT) with dynamic field corrections at 3 Tesla.MethodsCMT FWMRI was developed at 3 Tesla with a multiecho golden angle (GA) radial trajectory and dynamic B0 field shimming. Whole‐body imaging was performed with 4 echoes and superior–inferior coverage of 1.8 meters without shims in 90 s. 716 axial images were reconstructed with GA profile binning followed by B0 field map generation using fast three‐point seeded region growing fat–water separation and slice‐specific 0th and 1st order shim calculation. Slice‐specific shims were applied dynamically in a repeated CMT FWMRI scan in the same session. The resulting images were evaluated for field homogeneity improvements and quality of fat–water separation with a whole‐image energy optimized algorithm.ResultsGA sampling allowed high quality whole‐body FWMRI from multiecho CMT data. Dynamic B0 shimming greatly improved field homogeneity in the body and produced high quality water and fat only images as well as fat signal fraction and R2* relaxivity maps.ConclusionA rapid and robust technique for whole‐body fat–water quantification has been developed with CMT MRI with dynamic B0 field correction. Magn Reson Med 76:183–190, 2016. © 2015 Wiley Periodicals, Inc.
On the dislocation core structures associated to point defect cluster formation in diamond and silicon
Authors: Rabier Jacques , Pailloux Frédéric , Pizzagalli Laurent 
Published: July 2015

AbstractThis paper focuses on the dislocation configurations that show up during the annihilation of a perfect dislocation vacancy dipole. Indeed unexpected transient dislocation core structures can be evidenced out of the atomistic structures computed during this annihilation process. Using the Geometric Phase Analysis these dislocation configurations can be analysed as partial dislocations, resulting from the dissociation of a perfect dislocation with ½[110] Burgers vector, bounding a nano crack (or a point defect cluster) along a (111) shuffle plane. Those partial dislocations appear as to be associated with an incipient dissociation/crack present in the core of perfect shuffle dislocations. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Sharing a Reading Technique With Families
Authors: Irish Christy K. , Parsons Seth A. 
Published: July 2015

AbstractSharing reading techniques with families is an important responsibility of teachers. Dialogic reading is one way to improve young students’ expressive vocabulary skills, which are important for later reading success. Dialogic reading also supports students’ understanding of story structure and content. This well researched technique has not been disseminated to families as well as it has been to classroom teachers. The purpose of this article is to provide ways that teachers may share this technique with families.
Mapping genes in barley for resistance to Puccinia coronata from couch grass and to P. striiformis from brome, wheat and barley
Authors: Niks Rients E. , Alemu Sisay K. , Marcel Thierry C. , van Heyzen Skye 
Published: July 2015

AbstractBarley (Hordeum vulgare L.) mapping populations have been developed that are useful to study the inheritance of quantitative resistance to adapted and unadapted rust fungi. In a recent host range study, we found that the parents of those mapping populations also differed in their resistance to the crown rust Puccinia coronata (PcE) of couch grass (Elymus repens), as well as three isolates of P. striiformis, representing formae speciales hordei (Psh), tritici (Pst) and bromi (Psb). Available mapping populations were phenotyped at the seedling stage to map the genes conferring resistance to these rust isolates. Resistances to PcE, Psb and Pst inherit quantitatively. This contrasted with reports that barley nonhost resistance to unadapted formae speciales of P. striiformis is based on major genes. We mapped QTLs effective against PcE using relative latency period and relative infection frequency. Some QTLs for resistance were contributed by ‘Vada’ and ‘Cebada Capa’, others by SusPtrit. One PcE-resistance QTL on 3H, contributed by ‘Cebada Capa’, co-localised with a QTL effective against four unadapted grass rust species, indicating either a single gene with broad-spectrum effectiveness or a cluster of rather specific genes. Chromosome arm 7HL from Vada seems particularly rich in genes for resistance to rust fungi. Resistance to Pst and Psb, measured as the number of uredinia, tended to co-localise with each other and mapped to 1HS, 2HL and 7HL. The nearly complete resistance of Ethiopian line L94 to Psh was due to a major gene mapped on chromosome 4H. That gene is likely the recessive gene rpsGZ, which was previously reported in the Ethiopian line Grannenlose Zweizeilige.
Funktioniert die Informationsweitergabe in Familien mit erblichem Brust- und Eierstockkrebs?
Authors: Scholl Eva , Grimm Tiemo , Krockenberger Mathias , Kunstmann Erdmute 
Published: July 2015

Zusammenfassung
Die hier vorgestellte Pilotstudie, die 80 Trägerinnen und Träger einer pathogenen Mutation in den Genen BRCA1 oder 2 befragte, sollte ermitteln, ob den Befragten das Risiko ihrer Verwandten ebenso Mutationsträger zu sein, bewusst war und ob sie diese darüber informierten. Die Befragung ergab, dass sich die meisten Befragten des familiären Risikos bewusst waren. Bei einigen Personen schien jedoch Unklarheit zu herrschen, welche Verwandten als „Risikopersonen“ zählen; vor allem die Möglichkeit, dass auch Männer die Mutation tragen und sogar an Brustkrebs erkranken können, war nicht allen Befragten bewusst. Des Weiteren gaben über ein Viertel der Befragten an, mindestens ein Familienmitglied nicht informiert zu haben, obwohl ihnen dessen Risiko bekannt war. Der häufigste Grund hierfür war mangelnder Kontakt.
A NOTE ON THRESHOLD FACTOR LEVEL(S) AND STONE-GEARY TECHNOLOGY
Authors: BEATTIE BRUCE R. , ARADHYULA SATHEESH 
Published: July 2015

AbstractThis article proposes the parsimonious Stone-Geary utility function from consumer choice theory as a production function model. The viability of the threshold input idea is empirically demonstrated for irrigation water (and in the case of nitrogen, a “gratis” threshold) using two field trials from the famous Hexem-Heady data sets. The implications of the Stone-Geary model for tractable U-shaped average variable cost and for factor demand and product supply are explored.
Effect of Prandtl’s ratio on balance in geophysical turbulence
Authors: Dritschel David G. , McKiver William J. 
Published: July 2015

The fluid dynamics of the atmosphere and oceans is to a large extent controlled by the slow evolution of a scalar field called ‘potential vorticity’ (PV), with relatively fast motions such as inertia-gravity waves playing only a minor role. This state of affairs is commonly referred to as ‘balance’. Potential vorticity is a special scalar field which is materially conserved in the absence of diabatic effects and dissipation, effects that are generally weak in the atmosphere and oceans. Moreover, in a balanced flow, PV induces the entire fluid motion and its thermodynamic structure (Hoskins et al., Q. J. R. Meteorol. Soc., vol. 111, 1985, pp. 877–946). While exact balance is generally not achievable, it is now well established that balance holds to a high degree of accuracy in rapidly rotating and strongly stratified flows. Such flows are characterised by both a small Rossby number, $\mathit{Ro}\equiv |{\it\zeta}|_{max}/f$, and a small Froude number, $\mathit{Fr}\equiv |{\bf\omega}_{h}|_{max}/N$, where ${\it\zeta}$ and ${\bf\omega}_{h}$ are the relative vertical and horizontal vorticity components, while $f$ and $N$ are the Coriolis and buoyancy frequencies. In fact, balance can even be a good approximation when $\mathit{Fr}\lesssim \mathit{Ro}\sim \mathit{O}(1)$. In this study, we examine how balance depends specifically on Prandtl’s ratio, $f/N$, in unforced freely evolving turbulence. We examine a wide variety of turbulent flows, at a mature and complex stage of their evolution, making use of the fully non-hydrostatic equations under the Boussinesq and incompressible approximations. We perform numerical simulations at exceptionally high resolution in order to carefully assess the degree to which balance holds, and to determine when it breaks down. For this purpose, it proves most useful to employ an invariant PV-based Rossby number ${\it\varepsilon}$, together with $f/N$. For a given ${\it\varepsilon}$, our key finding is that – for at least tens of characteristic vortex rotation periods – the flow is insensitive to $f/N$ for all values for which the flow remains statically stable (typically $f/N\lesssim 1$). Only the vertical velocity varies in proportion to $f/N$, in line with quasi-geostrophic (QG) scaling for which $\mathit{Fr}^{2}\ll \mathit{Ro}\ll 1$. We also find that as ${\it\varepsilon}$ increases towards unity, the maximum $f/N$ attainable decreases towards 0. No statically stable flows occur for ${\it\varepsilon}\gtrsim 1$. For all stable flows, balance is found to hold to a remarkably high degree: as measured by an energy norm, imbalance never exceeds more than a few per cent of the balance, even in flows where $\mathit{Ro}>1$. The vertical velocity $w$ remains a tiny fraction of the horizontal velocity $\boldsymbol{u}_{h}$, even when $w$ is dominantly balanced. Finally, typical vertical to horizontal scale ratios $H/L$ remain close to $f/N$, as found previously in QG turbulence for which $\mathit{Fr}\sim \mathit{Ro}\ll 1$.
A trilobite faunule from the Lower Devonian of the Saoura Valley, Algeria: biodiversity, morphological variability and palaeobiogeographical affinities
Authors: KHALDI AHMED YACINE , CRÔNIER CATHERINE , HAINAUT GAUTIER , ABBACHE ABDELKADER , OUALI MEHADJI ABDELKADER 
Published: July 2015

AbstractTrilobites are widespread in Lower Devonian deposits of north Gondwana, and some have been collected from two known sections of the Saoura Valley in SW Algeria, from the ‘Chefar el Ahmar’ Formation. This formation is considered to be from late Emsian to Frasnian in age, but only the lower parts of this formation have yielded trilobites. Nevertheless, no detailed studies have focused on their biodiversity and their morphological variability. New occurrences of phacopids includingBarrandeops chattertonisp. nov.,Geesops fabreisp. nov.,Austerops legrandisp. nov. andPhacops boudjemaaisp. nov. are described from this area and comparisons are made with closely allied species. These new occurrences have been integrated into analyses of intra- and inter-specific variability and biodiversity.
ON SEMIGENERIC TAMENESS AND BASE FIELD EXTENSION
Authors: PÉREZ EFRÉN 
Published: July 2015

AbstractThe notions of central endolength and semigeneric tameness are introduced, and their behaviour under base field extension for finite-dimensional algebras over perfect fields are analysed. Forka perfect field,Kan algebraic closure and Λ a finite-dimensionalk-algebra, here there is a proof that Λ is semigenerically tame if and only if Λ ⊗kKis tame.
HYPERSURFACES IN P2 AND H2 WITH TWO DISTINCT PRINCIPAL CURVATURES
Authors: IVEY THOMAS A. , RYAN PATRICK J. 
Published: July 2015

AbstractIt is known that hypersurfaces in ${\mathbb C}$Pn or ${\mathbb C}$Hn for which the number g of distinct principal curvatures satisfies g ≤ 2, must belong to a standard list of Hopf hypersurfaces with constant principal curvatures, provided that n ≥ 3. In this paper, we construct a two-parameter family of non-Hopf hypersurfaces in ${\mathbb C}$P2 and ${\mathbb C}$H2 with g=2 and show that every non-Hopf hypersurface with g=2 is locally of this form.
ISOMORPHIC INDUCED MODULES AND DYNKIN DIAGRAM AUTOMORPHISMS OF SEMISIMPLE LIE ALGEBRAS
Authors: GUILHOT JÉRÉMIE , LECOUVEY CÉDRIC 
Published: July 2015

AbstractConsider a simple Lie algebra $\mathfrak{g}$ and $\overline{\mathfrak{g}}$ ⊂ $\mathfrak{g}$ a Levi subalgebra. Two irreducible $\overline{\mathfrak{g}}$-modules yield isomorphic inductions to $\mathfrak{g}$ when their highest weights coincide up to conjugation by an element of the Weyl group W of $\mathfrak{g}$ which is also a Dynkin diagram automorphism of $\overline{\mathfrak{g}}$. In this paper, we study the converse problem: given two irreducible $\overline{\mathfrak{g}}$-modules of highest weight μ and ν whose inductions to $\mathfrak{g}$ are isomorphic, can we conclude that μ and ν are conjugate under the action of an element of W which is also a Dynkin diagram automorphism of $\overline{\mathfrak{g}}$? We conjecture this is true in general. We prove this conjecture in type A and, for the other root systems, in various situations providing μ and ν satisfy additional hypotheses. Our result can be interpreted as an analogue for branching coefficients of the main result of Rajan [6] on tensor product multiplicities.
EXPLICIT CONSTRUCTION OF COMPANION BASES
Authors: PARSONS MARK JAMES 
Published: July 2015

AbstractA companion basis for a quiver Γ mutation equivalent to a simply-laced Dynkin quiver is a subset of the associated root system which is a$\mathbb{Z}$-basis for the integral root lattice with the property that the non-zero inner products of pairs of its elements correspond to the edges in the underlying graph of Γ. It is known in typeA(and conjectured for all simply-laced Dynkin cases) that any companion basis can be used to compute the dimension vectors of the finitely generated indecomposable modules over the associated cluster-tilted algebra. Here, we present a procedure for explicitly constructing a companion basis for any quiver of mutation typeAorD.