bluuebunny/crossref_metadata_2025_split huggingface dataset:
The bare naked truth… “excuse me but your metal is showing!”
Authors: Krishnan Sandeep K. , Henry Timothy D. 
Published: July 2016

Key points

In 11,181 consecutive STEMI patients, the use of DES increased over time and there were significant differences in patients who received DES versus BMS
Using complex statistical modeling to adjust for measured and unmeasured confounders, the study provides real world data that the use of DES in STEMI is associated with reduced TVR and improved long‐term survival
Overwhelming evidence supports the use of current‐generation DES as first line for STEMI
Size does matter but is there an obesity paradox in TAVR?
Authors: Yadav Pradeep K. , Eng Marvin H. 
Published: July 2016

Key Points

Patients with low body mass index (<20 kg/m2) undergoing transcatheter aortic valve replacement have higher short‐ and long‐term mortality
Low BMI is an important tool to consider in patient screening and prognostication
Prospective study is needed to accurately assess the effects of BMI in TAVR patients, to prove or refute the obesity paradox
In early returns scoring scores big
Authors: Butman Samuel M. 
Published: July 2016

Key Points

A scoring or cutting balloon is always useful in preventing slippage during therapy of in‐stent restenosis.
A drug‐coated scoring balloon for in‐stent restenosis may be an alternative to a drug‐coated balloon
Definitive comparison trials are needed and likely to help define their exact role in patients with in‐stent restenosis
Molecular Basis for the Recognition of Higher Fullerenes into Ureidopyrimidinone–Cyclotriveratrylene Self‐Assembled Capsules
Authors: Huerta Elisa , Serapian Stefano Artin , Santos Eva , Cequier Enrique , Bo Carles , de Mendoza Javier 
Published: July 2016

AbstractFullerenes C60, C70, and C84 may be readily encaged within a hydrogen‐bonded dimeric capsule, based on two concave cyclotriveratrylene (CTV) scaffolds, each containing three self‐complementary 2‐ureido‐4‐[1H]‐pyrimidinone (UPy) subunits. NMR spectroscopy and circular dichroism studies, complemented by dispersion‐corrected DFT calculations, are reported with the aim of characterizing such capsule–fullerene complexes both structurally and energetically. Six fullerenes are considered: in agreement with experiments, calculations find that encapsulation is most favorable for C84 (on a par with C90), and follows the trend C60<C70<C76<C78<C84≈C90. As also found by NMR spectroscopy, the most stable capsules are formed by monomers of identical stereochemistry with UPy and the OMe groups of CTV in a mutual anti orientation and UPy–CTV ethylene linkers within the capsular surface plane. Up to C78, encapsulation is favored by increasing host–guest contacts, but the trend is thereafter increasingly inhibited by growing capsule strain.
Uranium Metalla‐Allenes with Carbene Imido R2C=UIV=NR′ Units (R=Ph2PNSiMe3; R′=CPh3): Alkali‐Metal‐Mediated Push–Pull Effects with an Amido Auxiliary
Authors: Lu Erli , Tuna Floriana , Lewis William , Kaltsoyannis Nikolas , Liddle Stephen T. 
Published: July 2016

AbstractWe report uranium(IV)‐carbene‐imido‐amide metalla‐allene complexes [U(BIPMTMS)(NCPh3)(NHCPh3)(M)] (BIPMTMS=C(PPh2NSiMe3)2; M=Li or K) that can be described as R2C=U=NR′ push–pull metalla‐allene units, as organometallic counterparts of the well‐known push–pull organic allenes. The solid‐state structures reveal that the R2C=U=NR′ units adopt highly unusual cis‐arrangements, which are also reproduced by gas‐phase theoretical studies conducted without the alkali metals to remove their potential structure‐directing roles. Computational studies confirm the double‐bond nature of the U=NR′ and U=CR2 interactions, the latter increasingly attenuated by potassium then lithium when compared to the hypothetical alkali‐metal‐free anion. Combined experimental and theoretical data show that the push–pull effect induced by the alkali metal cations and amide auxiliary gives a fundamental and tunable structural influence over the C=UIV=N units.
A submodel for spherical particles undergoing phase change under the influence of convection
Authors: Bansal Hemant , Nikrityuk Petr 
Published: July 2016

ABSTRACTThis work is devoted to the development and validation of a subgrid model describing heat transfer between the bulk flow and moving particles undergoing phase change under the influence of forced and free convection. Such kinds of submodels play the role of “scale bridges” between microscale (e.g. interfacial heat transfer) and macroscale (e.g. bulk flow) phenomena. Applied to multiscale modelling of particulate flows with phase change phenomena, our model serves as a coupling between equations describing particle movement in Lagrangian space and the mass and heat conservation equation defining melt flow in Eulerian space. The input parameters in our model are the particulate Reynolds number (Re), the Grashof number (Gr), the Stefan number (Ste), and the Prandlt number (Pr). The model has been validated against experimental data published recently in the literature applied to the melting of ice spheres under different flow conditions. Good agreement between our model predictions and published experimental data (Shukla et al.[16] and Hao and Tao[14]) is observed.
Facile Synthesis of Naphtho[2,3‐d]thiazoles, Naphtho[2,3‐e][1,3,4]thiadiazines and Bis(naphtho[2,3‐d]thiazolyl)copper(II) Derivatives from Heteroylthiosemicarbazides
Authors: Hassan Alaa A. , Mohamed Nasr K. , El‐Haleem Lamiaa E. Abd , Bräse Stefan , Nieger Martin 
Published: July 2016

AbstractA one step synthesis protocol for the conversion of heteroylthiosemicarbazides and 2,3‐dichloro‐1,4‐naphthoquinone to naphtho[2,3‐d]thiazoles, naphtho[2,3‐e][1,3,4]thiadiazines as well as bis(naphtho[2,3‐d]thiazolyl)copper(II) derivatives is described. The products were conclusively confirmed by single crystal X‐ray analyses. A mechanism for the formation of the products is presented.
A Novel CdS/g‐C3N4 Composite Photocatalyst: Preparation, Characterization and Photocatalytic Performance with Different Reaction Solvents under Visible Light Irradiation
Authors: Ye Xiangju , Dai Xia , Meng Sugang , Fu Xianliang , Chen Shifu 
Published: July 2016

AbstractCdS/graphtic carbon nitride (CdS/g‐C3N4) hybrid materials were fabricated by thermal polymerization and hydrothermal methods using Cd(CH3COO)2•2H2O, thioacetamide, and melamine as precursors. The structural and optical properties of the as‐synthesized samples were investigated by X‐ray powder diffraction, UV–vis diffuse reflectance spectroscopy, scanning electron microscopy, transmission electron microscopy, etc. A coupled system toward the selective oxidation of benzyl alcohol to benzaldehyde and the reduction of nitrobenzene into aniline was used to estimate the photocatalytic performance of CdS/g‐C3N4 composite photocatalysts under visible light illumination. Results indicate that the CdS/g‐C3N4 sample exhibits an outstanding photocatalytic performance for selective oxidation of benzyl alcohol and reduction of nitrobenzene. Meanwhile, benzotrifluoride is the best reaction medium among the screened solvents. Further research demonstrates that the selective oxidation of benzyl alcohol to benzaldehyde is induced by the photoexcited holes and the reduction of nitrobenzene into aniline is triggered by the photoexcited electrons. Additionally, the catalyst can be recycled several times without noticeable deactivation.
Electronic Structure of Thiolate‐bridged Diiron Complexes and a Single‐electron Oxidation Reaction: A Combination of Experimental and Computational Studies
Authors: Chen Si , Luo Lun , Li Yang , Yang Dawei , Qu Jingping , Luo Yi 
Published: July 2016

AbstractSingle‐electron oxidation of a diiron‐sulfur complex [Cp*Fe(μ‐bdt)FeCp*] (1, Cp*=η5‐C5Me5; bdt=benzene‐1,2‐dithiolate) to [Cp*Fe(μ‐bdt)FeCp*]+ (2) has been experimentally conducted. The bdt ligand with redox‐active character has been computationally proposed to be a dianion (bdt2−) rather than previously proposed monoanion (bdt·−) radical in 1 though it has un‐equidistant aromatic CC bond lengths. The ground state of 1 is predicted to be two low‐spin ferrous ions (SFe=0) and 2 has a medium‐spin ferric ion (SFe=1/2) and a low‐spin ferrous center (SFe=0), and the oxidation of 1 to 2 is calculated to be a single‐metal‐based process. Both complexes have no significant antiferromagnetic coupling character.
Sulfonamide and Morpholine‐Based Dual Chemosensor for Cu2+ and Ag+ in Different Solvent Media
Authors: Hu Fang , Li Rui , Wang Jinjian , He Luyan , Li Xing , Yin Jun , Liu Shenghua 
Published: July 2016

AbstractThe detection of cations has attracted considerable interest because of their importance in various physiological processes. In this study, compound 1 bearing sulfonamide and morpholine functionalities was synthesized. Its structure was well characterized by NMR spectroscopy and mass spectrometry. UV/vis absorption spectra and fluorescence spectra indicated that it displayed high sensitivity and selectivity for Cu2+ and Ag+ by switching solvent media. It means that: (1) it showed selective response to Cu2+ in acetonitrile, (2) whereas it exhibited high selectivity for Ag+ in water. The density functional theory calculations were used to clearly explain the different recognition behaviors in different solvent media. This research suggests that compound 1 bearing sulfonamide and morpholine functionalities could act as a multifunctional chemosensor for monitoring multiple cations by changing solvent media and provides an alternative approach to design novel dual cations chemosensors.
Discovery of a Nanomolar Multikinase Inhibitor (KST016366): A New Benzothiazole Derivative with Remarkable Broad‐Spectrum Antiproliferative Activity
Authors: El‐Damasy Ashraf Kareem , Cho Nam‐Chul , Nam Ghilsoo , Pae Ae Nim , Keum Gyochang 
Published: July 2016

AbstractHerein we report the discovery of compound 6 [KST016366; 4‐((2‐(3‐(4‐((4‐ethylpiperazin‐1‐yl)methyl)‐3‐(trifluoromethyl)phenyl)ureido)benzo[d]thiazol‐6‐yl)oxy)picolinamide] as a new potent multikinase inhibitor through minor structural modification of our previously reported RAF kinase inhibitor A. In vitro anticancer evaluation of 6 showed substantial broad‐spectrum antiproliferative activity against 60 human cancer cell lines. In particular, it showed GI50 values of 51.4 and 19 nm against leukemia K‐562 and colon carcinoma KM12 cell lines, respectively. Kinase screening of compound 6 revealed its nanomolar‐level inhibitory activity of certain oncogenic kinases implicated in both tumorigenesis and angiogenesis. Interestingly, 6 displays IC50 values of 0.82, 3.81, and 53 nm toward Tie2, TrkA, and ABL‐1 (wild‐type and T315I mutant) kinases, respectively. Moreover, 6 is orally bioavailable with a favorable in vivo pharmacokinetic profile. Compound 6 may serve as a promising candidate for further development of potent anticancer chemotherapeutics.
Access to Children's Oncology Group and Pediatric Brain Tumor Consortium phase 1 clinical trials: Racial/ethnic dissimilarities in participation
Authors: Nooka Ajay K. , Behera Madhusmita , Lonial Sagar , Dixon Margie D. , Ramalingam Suresh S. , Pentz Rebecca D. 
Published: July 2016

BACKGROUNDPhase 1 clinical trials introduce new therapies to humans with the goal of establishing their safety. A prior Children's Oncology Group (COG) study analyzed the proportional enrollment of patients by race, ethnicity, sex, and age for all trial phases. The current study evaluated the representation of patients by race, ethnicity, sex, and age in phase 1 clinical trials.METHODSThis study evaluated 1348 children with 128 diagnoses enrolled in COG and Pediatric Brain Tumor Consortium phase 1 clinical trials in the United States from February 28, 2000 to December 29, 2008. Observed and expected proportions were calculated according to an established methodology with a representative population from Surveillance, Epidemiology, and End Results data, which included 27,766 children with the same International Classification of Diseases for Oncology (third edition) diagnostic codes.RESULTSUnderrepresentation in phase 1 trials was seen for lymphohematopoietic (LH) tumors (9.3% observed vs 37% expected) versus solid tumors (90.6% observed vs 63% expected). Although representation was fairly proportional, Hispanics (12.6% observed vs 27% expected), particularly Hispanic females (6% observed vs 18% expected), were significantly underrepresented. The 0‐ to 4‐year age group was underrepresented (11.7% observed vs 36.5% expected). By tumor type, the most significantly underrepresented groups were 0‐ to 4‐year‐old children and Hispanics for both solid cancers (11% observed vs 34.4% expected for 0‐ to 4‐year‐old children and 12% observed vs 24% expected for Hispanics) and LH cancers (16% observed vs 40% expected for 0‐ to 4‐year‐old children and 19.4% observed vs 33% expected for Hispanics).CONCLUSIONSAlthough sex and racial/ethnic groups are mostly proportionally represented in phase 1 trials, some specific subgroups such as Hispanic children are underrepresented and may benefit from focused accrual. Cancer 2016;122:3207–14. © 2016 American Cancer Society.
On the Effect of Electron Temperature Fluctuations on Turbulent Heat Transport in the Edge Plasma of Tokamaks
Authors: Baudoin C. , Tamain P. , Ciraolo G. , Futtersack R. , Gallo A. , Ghendrih P. , Marandet Y. , Nace N. , Norscini C. 
Published: July 2016

AbstractIn this paper we study the impact of electron temperature fluctuations in a two‐dimensional turbulent model. This modification adds a second linear instability, known as sheath‐driven conducting‐wall instability, with respect to the previous isothermal model only driven by the interchange instability. Non‐linear simulations, backed up by the linear analysis, show that the additional mechanism can change drastically the dynamics of turbulence (scales, density‐potential correlation, and statistical momentum). Moreover, its importance relatively to the interchange instability should be more significant in the private flux region than in the main scrape of layer. Its effect on heat transport is also investigated for different regimes of parameters, results show that both instabilities are at play in the heat transport. Finally, the sheath neagtive resistance instability could be responsible for the existence of corrugated heat flux profiles in the scrape‐off layer leading to a multiple decay length. (© 2016 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Interchange Turbulence Model for the Edge Plasma in SOLEDGE2D‐EIRENE
Authors: Bufferand H. , Ciraolo G. , Ghendrih Ph. , Marandet Y. , Bucalossi J. , Colin C. , Fedorczak N. , Galassi D. , Gunn J. , Leybros R. , Serre E. , Tamain P. 
Published: July 2016

AbstractCross‐field transport in edge tokamak plasmas is known to be dominated by turbulent transport. A dedicated effort has been made to simulate this turbulent transport from first principle models but the numerical cost to run these simulations on the ITER scale remains prohibitive. Edge plasma transport study relies mostly nowadays on so‐called transport codes where the turbulent transport is taken into account using effective ad‐hoc diffusion coeffecients. In this contribution, we propose to introduce a transport equation for the turbulence intensity in SOLEDGE2D‐EIRENE to describe the interchange turbulence properties. Going beyond the empirical diffusive model, this system automatically generates profiles for the turbulent transport and hence reduces the number of degrees of freedom for edge plasma transport codes. We draw inspiration from the k‐epsilon model widely used in the neutral fluid community. (© 2016 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
First Principle Modelling of Interplay between Langmuir Probes and Plasma Turbulence
Authors: Futtersack R. , Colin C. , Tamain P. , Ciraolo G. , Ghendrih Ph. , Marandet Y. , Schwander F. , Serre E. 
Published: July 2016

AbstractThe interplay between Langmuir probes (LP) and Scrape‐Off‐Layer plasma turbulence is numerically investigated with the TOKAM2D and TOKAM3X fluid codes. The LP is modelled by biasing a part of the target plates surface; we then study its impact on the turbulent transport 1) in presence of electron temperature fluctuations and 2) with a complete description of the parallel dynamics. We find that a biased probe can disturb local plasma parameters as well as turbulent transport in its vicinity, by polarizing the connected flux tube and thus driving a strong ExB vortex. Moreover, electron temperature fluctuations are found to account significantly those of floating potential, but with a limited impact on flux measurements depending on the probe's exact geometry. The 3D study of the problem shows the attenuation, but the persistency, of these perturbations induced by the presence of the LP. (© 2016 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Photon Trapping Effects in DEMO Divertor Plasma
Authors: Hoshino K. , Sawada K. , Idei R. , Tokunaga S. , Asakura N. , Shimizu K. , Ohno N. 
Published: July 2016

AbstractIn the DEMO divertor, the neutral density becomes high to produce the full detachment and therefore the photon trapping can become important. In this paper, effects of the photon trapping on the DEMO divertor plasma has been studied. The pre‐evaluation of the photon trapping effects on the fixed background plasma profile was carried out by using an iterative self‐consistent collisional radiative model. The recombining plasma near the inner target and the private region changed to the ionizing plasma by the photon‐excitation. Based on the preevaluation result, the database of the effective ionization rate coefficient including the photon transport inside a 2 mm sphere. Advantage of the 2 mm sphere approximation is that the extra calculation cost is not necessary. Iterative calculation of the SONIC including the photon trapping effects was carried out. While the electron density increased and the neutral density decreased in the wide region, the electron density decreases close to the inner strike point. This may be due to decrease in the ionization rate by decrease in the neutral density. (© 2016 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Extended Numerical Modeling of Impurity Neoclassical Transport in Tokamak Edge Plasmas
Authors: Inoue H. , Homma Y. , Yamoto S. , Hatayama A. 
Published: July 2016

AbstractUnderstanding of impurity transport in tokamaks is an important issue in order to reduce the impurity contamination in fusion core plasmas. Recently, a new kinetic numerical scheme of impurity classical/neoclassical transport has been developed. This numerical scheme makes it possible to include classical self‐diffusion (CL SD), classical inward pinch (CL IWP), and classical temperature screening effect (CL TSE) of impurity ions. However, impurity neoclassical transport has been modeled only in the case where background plasmas are in the Pfirsch‐Schluter (PS) regime. The purpose of this study is to extend our previous model to wider range of collisionality regimes, i.e., not only the PS regime, but also the plateau regime. As in the previous study, a kinetic model with Binary Collision Monte‐Carlo Model (BMC) has been adopted. We focus on the modeling of the neoclassical self‐diffusion (NC SD) and the neoclassical inward pinch (NC IWP). In order to simulate the neoclassical transport with the BCM, velocity distribution of background plasma ions has been modeled as a deformed Maxwell distribution which includes plasma density gradient. Some test simulations have been done. As for NC SD of impurity ions, our scheme reproduces the dependence on the collisionality parameter in wide range of collisionality regime. As for NC IWP, in cases where test impurity ions and background ions are in the PS and plateau regimes, parameter dependences have been reproduced. (© 2016 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Connecting Collisionless Landau Fluid Closures to Collisional Plasma Physics Models
Authors: Joseph I. , Dimits A. M. 
Published: July 2016

AbstractIn this work, collisionless Landau fluid models are combined with collisional fluid models using a Padé approximation that is accurate in both collisionality limits. The collisionless models capture Landau damping through a nonlocal integro‐differential sub‐diffusion operator with ballistic characteristics. Collisional extensions of Landau fluid models are derived by analyzing the higher order moment equations which combine a Landau closure with collisional friction forces. The model derived here evolves fluid moments for density, parallel velocity, and anisotropic pressure and includes the frictional heat flux, the parallel thermal force and anisotropic electrical conductivity. Since anisotropies must vanish in the collisional limit, a simple closure can be derived if the friction force neglects pitch‐angle scattering for the closure moments themselves. The resulting plasma physics model is potentially quite useful for applications in magnetic fusion and astrophysics. (© 2016 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Modeling of ITER Edge Plasma in the Presence of Resonant Magnetic Perturbations
Authors: Rozhansky V. , Kaveeva E. , Veselova I. , Voskoboynikov S. , Coster D. 
Published: July 2016

AbstractThe modeling of the ITER edge is performed with the use of the code B2SOLPS5.2 in the presence of the electron conductivity caused by RMPs as well as for the reference case with the same input parameters but without RMPs. The radial electric field close to the neoclassical one is obtained without RMPs. Even the modest level of RMPs changes the direction of the electric field and causes the toroidal spin‐up of the edge plasma. At the same time the pump‐out effect is small. (© 2016 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Electrostatic Characteristic of Spherical Dust on PFM in Sheath Field
Authors: Tomita Y. , Niu G. J. , Luo G. N. 
Published: July 2016

AbstractThe electrostatic characteristics of the spherical dust particle on the PFM were investigated analytically by introducing the bipolar coordinate in the plasma sheath field. The smaller dust compared to the Debye length λD is applicable to this model. It is clarified that the effect of finite size of the dust becomes remarkable at the larger dust than 0.2, Rd/λD > 0.2, where the change of the e‐folding length amounts to 10% of λD. The surface charge density on the dust is disturbed on the surface facing to the plasma due to the larger dust. (© 2016 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)