bluuebunny/crossref_metadata_2025 huggingface dataset:
Estimating the entropy and quantifying the impurity of a swarm of surface-hopping trajectories: A new perspective on decoherence
Authors: Ouyang Wenjun , Subotnik Joseph E.
Published: May 2014

In this article, we consider the intrinsic entropy of Tully's fewest switches surface hopping (FSSH) algorithm (as estimated by the impurity of the density matrix) [J. Chem. Phys. 93, 1061 (1990)]. We show that, even for a closed system, the total impurity of a FSSH calculation increases in time (rather than stays constant). This apparent failure of the FSSH algorithm can be traced back to an incorrect, approximate treatment of the electronic coherence between wavepackets moving along different potential energy surfaces. This incorrect treatment of electronic coherence also prevents the FSSH algorithm from correctly describing wavepacket recoherences (which is a well established limitation of the FSSH method). Nevertheless, despite these limitations, the FSSH algorithm often predicts accurate observables because the electronic coherence density is modulated by a phase factor which varies rapidly in phase space and which often integrates to almost zero. Adding “decoherence” events on top of a FSSH calculation completely destroys the incorrect FSSH electronic coherence and effectively sets the Poincaré recurrence time for wavepacket recoherence to infinity; this modification usually increases FSSH accuracy (assuming there are no recoherences) while also offering long-time stability for trajectories. In practice, we show that introducing “decoherence” events does not change the total FSSH impurity significantly, but does lead to more accurate evaluations of the impurity of the electronic subsystem.
Effect of superhydrophobic surface morphology on evaporative deposition patterns
Authors: Dicuangco Mercy , Dash Susmita , Weibel Justin A. , Garimella Suresh V.
Published: May 2014

Prediction and active control of the spatial distribution of particulate deposits obtained from sessile droplet evaporation are vital in printing, nanostructure assembly, biotechnology, and other applications that require localized deposits. This Letter presents surface wettability-based localization of evaporation-driven particulate deposition and the effect of superhydrophobic surface morphology on the distribution of deposits. Sessile water droplets containing suspended latex particles are evaporated on non-wetting textured surfaces with varying microstructure geometry at ambient conditions. The droplets are visualized throughout the evaporation process to track the temporal evolution of contact radius and apparent contact angle. The resulting particle deposits on the substrates are quantitatively characterized. The experimental results show that superhydrophobic surfaces suppress contact-line deposition during droplet evaporation, thereby providing an effective means of localizing the deposition of suspended particles. A correlation between deposit size and surface morphology, explained in terms of the interface pressure balance at the transition between wetting states, reveals an optimum surface morphology for minimizing the deposit coverage area.
Scaling in the quantum Hall regime of graphene Corbino devices
Authors: Peters Eva C. , Giesbers A. J. M. , Burghard Marko , Kern Klaus
Published: May 2014

The scaling behavior of graphene devices in Corbino geometry was investigated through temperature dependent conductivity measurements under magnetic field. Evaluation of the Landau level width as a function of temperature yielded a relatively low temperature exponent of κ = 0.16 ± 0.05. Furthermore, an unusually large value close to 7.6 ± 0.9 was found for the universal scaling constant γ, while the determined inelastic scattering exponent of p = 2 is consistent with established scattering mechanisms in graphene. The deviation of the scaling parameters from values characteristic of conventional two-dimensional electron gases is attributed to an inhomogeneous charge carrier distribution in the Corbino devices. Direct evidence for the presence of the latter could be gained by spatially resolved photocurrent microscopy away from the charge neutrality point of the devices.
Martensitic transformation and phase stability of In-doped Ni-Mn-Sn shape memory alloys from first-principles calculations
Authors: Xiao H. B. , Yang C. P. , Wang R. L. , Marchenkov V. V. , Luo X.
Published: May 2014

The effect of the alloying element Indium (In) on the martensitic transition, magnetic properties, and phase stabilities of Ni8Mn6Sn2−xInx shape memory alloys has been investigated using the first-principles pseudopotential plane-wave method based on density functional theory. The energy difference between the austenitic and martensitic phases was found to increase with increasing In content, which implies an enhancement of the martensitic phase transition temperature (TM). Moreover, the formation energy results indicate that In-doping increases the relative stability of Ni8Mn6Sn2−xInx both in austenite and martensite. This results from a reduction in density of states near the Fermi level regions caused by Ni-3d–In-5p hybridization when Sn is replaced by In. The equilibrium equation of state results show that the alloys Ni8Mn6Sn2−xInx exhibit an energetically degenerated effect for an In content of x = ∼1.5. This implies the coexistence of antiparallel and parallel configurations in the austenite.
The role of the carbon-silicon complex in eliminating deep ultraviolet absorption in AlN
Authors: Gaddy Benjamin E. , Bryan Zachary , Bryan Isaac , Xie Jinqiao , Dalmau Rafael , Moody Baxter , Kumagai Yoshinao , Nagashima Toru , Kubota Yuki , Kinoshita Toru , Koukitu Akinori , Kirste Ronny , Sitar Zlatko , Collazo Ramón , Irving Douglas L.
Published: May 2014

Co-doping AlN crystals with Si is found to suppress the unwanted 4.7 eV (265 nm) deep ultraviolet absorption associated with isolated carbon acceptors common in materials grown by physical vapor transport. Density functional theory calculations with hybrid functionals demonstrate that silicon forms a stable nearest-neighbor defect complex with carbon. This complex is predicted to absorb at 5.5 eV and emit at or above 4.3 eV. Absorption and photoluminescence measurements of co-doped samples confirm the presence of the predicted CN-SiAl complex absorption and emission peaks and significant reduction of the 4.7 eV absorption. Other sources of deep ultraviolet absorption in AlN are also discussed.
Ultrafast linear dichroism-like absorption dynamics in graphene grown by chemical vapor deposition
Authors: Chen Ke , Li Huihui , Ma Lai-Peng , Ren Wencai , Zhou Jian-Ying , Cheng Hui-Ming , Lai Tianshu
Published: May 2014

A transient linear dichroism-like absorption effect is found in the differential transmission dynamics of graphene. Distinctive ultrafast dynamics are observed, respectively, for parallel and perpendicular linearly polarized pump-probe geometries. Pump-polarization dependence of the ultrafast dynamics is observed obviously. It is found that the ultrafast dynamics excited by any oriented linear polarization pump can be fit well with a linear combination of two ultrafast dynamics, respectively, observed in parallel and perpendicular linearly polarized pump-probe geometries, which is a typical character of linear dichroic absorption effect and implies that a transient linear dichroism-like absorption occurs in graphene. However, the mechanism of the transient linear dichroism-like effect cannot be explained yet within the present framework of theory on graphene. Further theoretical explorations from theoretical physicists are expected.
Preparation and characterization of quaternary magnetic Fe80-xCoxP14B6 bulk metallic glasses
Authors: Ling Haibo , Li Qiang , Li Hongxiang , Zhang Jijun , Dong Yaqiang , Chang Chuntao , Seonghoon Yi
Published: May 2014

A new series of quaternary magnetic Fe80-xCoxP14B6 (x = 20, 30, 40, 50, 60 at. %) bulk metallic glasses (BMGs) has been prepared by combining fluxing treatment and J-quenching technique, and the maximum critical diameter for fully glass formation reaches up to 2.0 mm for x = 40 among this series of FeCo-based BMGs. The effects of Co content on glass-forming ability, thermal stability, mechanical and magnetic properties of the present FeCo-based BMGs have been systematically investigated. It is found that the highest thermal stability, namely the highest glass transition temperature (Tg) and the onset crystallization temperature (Tx), is achieved when the ratio of Fe and Co contents is 1:1 in the present FeCo-based BMGs. It should be noted that the maximum Curie temperature reaches 791 K when x = 40, which is the highest Curie temperature for (Fe, Co, Ni)-based BMGs so far as is known. Moreover, the present FeCo-based BMGs exhibit very good soft magnetic properties and large room plasticity, which are promising for potential industrial application as high performance functional and structural materials.
Formation of magnetic discontinuities through viscous relaxation
Authors: Kumar Sanjay , Bhattacharyya R. , Smolarkiewicz P. K.
Published: May 2014

According to Parker's magnetostatic theorem, tangential discontinuities in magnetic field, or current sheets (CSs), are generally unavoidable in an equilibrium magnetofluid with infinite electrical conductivity and complex magnetic topology. These CSs are due to a failure of a magnetic field in achieving force-balance everywhere and preserving its topology while remaining in a spatially continuous state. A recent work [Kumar, Bhattacharyya, and Smolarkiewicz, Phys. Plasmas 20, 112903 (2013)] demonstrated this CS formation utilizing numerical simulations in terms of the vector magnetic field. The magnetohydrodynamic simulations presented here complement the above work by demonstrating CS formation by employing a novel approach of describing the magnetofluid evolution in terms of magnetic flux surfaces instead of the vector magnetic field. The magnetic flux surfaces being the possible sites on which CSs develop, this approach provides a direct visualization of the CS formation, helpful in understanding the governing dynamics. The simulations confirm development of tangential discontinuities through a favorable contortion of magnetic flux surfaces, as the magnetofluid undergoes a topology-preserving viscous relaxation from an initial non-equilibrium state with twisted magnetic field. A crucial finding of this work is in its demonstration of CS formation at spatial locations away from the magnetic nulls.
Effect of force-induced mechanical stress at the coronary artery bifurcation stenting: Relation to in-stent restenosis
Authors: Lee Cheng-Hung , Jhong Guan-Heng , Hsu Ming-Yi , Liu Shih-Jung , Wang Chao-Jan , Hung Kuo-Chun
Published: May 2014

The deployment of metallic stents during percutaneous coronary intervention has become common in the treatment of coronary bifurcation lesions. However, restenosis occurs mostly at the bifurcation area even in present era of drug-eluting stents. To achieve adequate deployment, physicians may unintentionally apply force to the strut of the stents through balloon, guiding catheters, or other devices. This force may deform the struts and impose excessive mechanical stresses on the arterial vessels, resulting in detrimental outcomes. This study investigated the relationship between the distribution of stress in a stent and bifurcation angle using finite element analysis. The unintentionally applied force following stent implantation was measured using a force sensor that was made in the laboratory. Geometrical information on the coronary arteries of 11 subjects was extracted from contrast-enhanced computed tomography scan data. The numerical results reveal that the application of force by physicians generated significantly higher mechanical stresses in the arterial bifurcation than in the proximal and distal parts of the stent (post hoc P < 0.01). The maximal stress on the vessels was significantly higher at bifurcation angle <70° than at angle ≧70° (P < 0.05). The maximal stress on the vessels was negatively correlated with bifurcation angle (P < 0.01). Stresses at the bifurcation ostium may cause arterial wall injury and restenosis, especially at small bifurcation angles. These finding highlight the effect of force-induced mechanical stress at coronary artery bifurcation stenting, and potential mechanisms of in-stent restenosis, along with their relationship with bifurcation angle.
Intrinsic ferromagnetism in hexagonal boron nitride nanosheets
Authors: Si M. S. , Gao Daqiang , Yang Dezheng , Peng Yong , Zhang Z. Y. , Xue Desheng , Liu Yushen , Deng Xiaohui , Zhang G. P.
Published: May 2014

Understanding the mechanism of ferromagnetism in hexagonal boron nitride nanosheets, which possess only s and p electrons in comparison with normal ferromagnets based on localized d or f electrons, is a current challenge. In this work, we report an experimental finding that the ferromagnetic coupling is an intrinsic property of hexagonal boron nitride nanosheets, which has never been reported before. Moreover, we further confirm it from ab initio calculations. We show that the measured ferromagnetism should be attributed to the localized π states at edges, where the electron-electron interaction plays the role in this ferromagnetic ordering. More importantly, we demonstrate such edge-induced ferromagnetism causes a high Curie temperature well above room temperature. Our systematical work, including experimental measurements and theoretical confirmation, proves that such unusual room temperature ferromagnetism in hexagonal boron nitride nanosheets is edge-dependent, similar to widely reported graphene-based materials. It is believed that this work will open new perspectives for hexagonal boron nitride spintronic devices.
Two color laser fields for studying the Cooper minimum with phase-matched high-order harmonic generation
Authors: Ba Dinh Khuong , Vu Le Hoang , Hannaford Peter , Van Dao Lap
Published: May 2014

We experimentally study the observation of the Cooper minimum in a semi-infinite argon-filled gas cell using two-color laser fields at wavelengths of 1400 nm and 800 nm. The experimental results show that the additional 800 nm field can change the macroscopic phase-matching condition through change of the atomic dipole phase associated with the electron in the continuum state and that this approach can be used to control the appearance of the Cooper minimum in the high-order harmonic spectrum in order to study the electronic structure of atoms and molecules.
A novel three dimensional semimetallic MoS2
Authors: Tang Zhen-Kun , Zhang Hui , Liu Hao , Lau Woon-Ming , Liu Li-Min
Published: May 2014

Transition metal dichalcogenides (TMDs) have many potential applications, while the performances of TMDs are generally limited by the less surface active sites and the poor electron transport efficiency. Here, a novel three-dimensional (3D) structure of molybdenum disulfide (MoS2) with larger surface area was proposed based on first-principle calculations. 3D layered MoS2 structure contains the basal surface and joint zone between the different nanoribbons, which is thermodynamically stable at room temperature, as confirmed by first principles molecular dynamics calculations. Compared the two-dimensional layered structures, the 3D MoS2 not only owns the large surface areas but also can effectively avoid the aggregation. Interestingly, although the basal surface remains the property of the intrinsic semiconductor as the bulk MoS2, the joint zone of 3D MoS2 exhibits semimetallic, which is derived from degenerate 3d orbitals of the Mo atoms. The high stability, large surface area, and high conductivity make 3D MoS2 have great potentials as high performance catalyst.
The role of donor-acceptor pairs in the excitation of Eu-ions in GaN:Eu epitaxial layers
Authors: Mitchell B. , Poplawsky J. , Lee D. , Koizumi A. , Fujiwara Y. , Dierolf V.
Published: May 2014

The nature of Eu incorporation and resulting luminescence efficiency in GaN has been extensively investigated. By performing a comparative study on GaN:Eu samples grown under a variety of controlled conditions, and using a variety of experimental techniques, the configuration of the majority site has been concluded to contain a nitrogen vacancy (VN). The nitrogen vacancy can appear in two symmetries, which has a profound impact on the luminescence and magnetic properties of the sample. The structure of the minority site has also been identified. We propose that, for both sites, the excitation efficiency of the red Eu emission is improved by the presence of donor-acceptor pairs in the close vicinity of the Eu.
Epitaxial stabilization of ultra thin films of electron doped manganites
Authors: Middey S. , Kareev M. , Meyers D. , Liu X. , Cao Y. , Tripathi S. , Yazici D. , Maple M. B. , Ryan P. J. , Freeland J. W. , Chakhalian J.
Published: May 2014

Ultra-thin films of the electron doped manganite La0.8Ce0.2MnO3 were grown in a layer-by-layer growth mode on SrTiO3 (001) substrates by pulsed laser interval deposition. High structural quality and surface morphology were confirmed by a combination of synchrotron based x-ray diffraction and atomic force microscopy. Resonant X-ray absorption spectroscopy measurements confirm the presence of Ce4+ and Mn2+ ions. In addition, the electron doping signature was corroborated by Hall effect measurements. All grown films show a ferromagnetic ground state as revealed by both dc magnetization and x-ray magnetic circular dichroism measurements and remain insulating contrary to earlier reports of a metal-insulator transition. Our results hint at the possibility of electron-hole asymmetry in the colossal magnetoresistive manganite phase diagram akin to the high-Tc cuprates.
Carbon nanotube microbolometers on suspended silicon nitride via vertical fabrication procedure
Authors: Fernandes Gustavo E. , Ho Kim Jin , Chin Matthew , Dhar Nibir , Xu Jimmy
Published: May 2014

We report on carbon nanotube membrane microbolometers, operating uncooled in the near-infrared (IR) and mid-IR band, with speed of 10 ms and responsivity of several kV/W. The microbolometers were fabricated using a vertical process on a thin suspended silicon nitride film for thermal isolation. The measured detectivity was ∼5.5 × 106 cm Hz1/2 W−1 at 40 Hz. The broadband spectral responses measured at room temperature over the entire band of the IR illumination source are characteristic of bolometric response. These results are indicative of the potential of this platform for uncooled IR sensing and thermal imaging. The measured device noise indicated a relatively strong 1/f contribution, which is common of carbon nanotube devices operated in atmospheric conditions. The observed responses suggest, however, that oxygen adsorption/desorption reported by some researchers did not play a significant role in these devices.
One-pot hydrothermal synthesis of silver nanoplates on optical fiber tip for surface-enhanced Raman scattering
Authors: Cao Jie , Zhao Di , Lei Xing , Liu Ye , Mao Qinghe
Published: May 2014

We report on surface-enhanced Raman scattering (SERS) fiber probe based on silver nanoplates which are fabricated on the tapered tip of the multimode fiber, by a simple, effective and low-cost hydrothermal method. The field-emission scanning electron microscopy and the transmission electron microscopy show that the obtained fiber probe is composed of nanoplates with the thickness of about 40 nm and an average length of 300 nm. The SERS activity of the tapered fiber probe with an optimal cone angle has demonstrated excellent results using the probing molecule of 4-aminothiophenol.
Mie-resonance-coupled total broadband transmission through a single subwavelength aperture
Authors: Sheng Guo Yun , Zhou Ji , Wen Lan Chu , Ya Wu Hong , Bi Ke
Published: May 2014

Using strongly localized electromagnetic fields and efficiently coupled Mie resonances of two high-permittivity low-loss ceramic particles located at either side of a metallic aperture, we demonstrate total broadband transmission of microwaves, requiring no specific polarization, through a single subwavelength aperture. With radius 17 times smaller than the resonance wavelength, coupling efficiency is enhanced 12- and 300-fold over that attained for resonator-aperture and aperture-only couplings. The proposed approach can be tuned from microwave to optical bands to realize total transmissions.
Current status of online rating of Australian doctors
Authors: Atkinson Sean
Published: May 2014

Online rating of patient satisfaction of their doctor is increasingly common worldwide. This study of 4157 ratings of Australian doctors found patients were extremely satisfied with their doctor. However, this result was limited by a low prevalence of rated doctors and low numbers of ratings per doctor. Further studies are needed to determine how online rating will affect future practice for all doctors.
Planomicrobium
soli sp. nov., isolated from soil
Authors: Luo Xiaonan , Zhang Jianli , Li Dai , Xin Yuhua , Xin Di , Fan Lei
Published: May 2014

A Gram-staining-positive bacterium, designated strain XN13T, was isolated from a soil sample collected from ALaShan National Geological Park in Inner Mongolia Autonomous Region, China and subjected to a taxonomic study using a polyphasic approach. Strain XN13T was found to have a range of chemical and morphological properties consistent with its classification in the genus

Planomicrobium

. Phylogenetic analyses based on 16S rRNA gene sequences revealed that strain XN13T was related to members of the genus

Planomicrobium

. The closest phylogenetic relatives were

Planomicrobium okeanokoites

NBRC 12536T,

Planomicrobium koreense

JG07T,

Planomicrobium mcmeekinii

S23F2T and

Planomicrobium flavidum

ISL-41T with 98.2 %, 97.8 %, 97.8 % and 97.7 % 16S rRNA gene sequence similarity, respectively. The major cellular fatty acids were anteiso-C15 : 0, C16 : 1ω7c alcohol, iso-C14 : 0 and C16 : 1ω11c. The predominant menaquinones were MK-8 and MK-7. The DNA G+C content was 40.3 mol%. The DNA–DNA relatedness values between strain XN13T and

Planomicrobium okeanokoites

KCTC 3672T,

Planomicrobium koreense

KCTC 3684T,

P. mcmeekinii

CGMCC 1.2724T,

Planomicrobium flavidum

KCTC 13261T,

Planomicrobium chinense

CGMCC 1.3454T and

Planomicrobium glaciei

CGMCC 1.6846T were 36 %, 30 %, 34 %, 29 %, 30 % and 31 %, respectively. The organism is different from recognized species of the genus

Planomicrobium

in several phenotypic characteristics. On the basis of phenotypic and genotypic properties, strain XN13T represents a novel species of the genus

Planomicrobium

, for which the name Planomicrobium soli sp. nov. is proposed. The type strain is XN13T ( = CGMCC 1.12259T = KCTC 33047T).
Rhodococcus enclensis sp. nov., a novel member of the genus Rhodococcus
Authors: Dastager Syed G. , Mawlankar Rahul , Tang Shan-Kun , Krishnamurthi Srinivasan , Ramana V. Venkata , Joseph Neeta , Shouche Yogesh S.
Published: May 2014

A novel actinobacterial strain, designated, NIO-1009T, was isolated from a marine sediment sample collected from Chorao Island, Goa, India. Phylogenetic analysis comparisons based on 16S rRNA gene sequences between strain NIO-1009T and other members of the genus

Rhodococcus

revealed that strain NIO-1009T had the closest sequence similarity to

Rhodococcus kroppenstedtii

DSM 44908T and

Rhodococcus corynebacterioides

DSM 20151T with 99.2 and 99.1 %, respectively. Furthermore, DNA–DNA hybridization results showed that

R. kroppenstedtii

DSM 44908T and

R. corynebacterioides

DSM 20151T were 39.5 (3.0 %) and 41.7 (2.0 %) with strain NIO-1009T, respectively, which were well below the 70 % limit for any novel species proposal. Phylogenetically strain NIO-1009T forms a stable clade with and

R. kroppenstedtii

DSM 44908T and

R. corynebacterioides

DSM 20151T with 100 % bootstrap values. Strain NIO-1009T contained meso-diaminopimelic acid as the diagnostic diamino acid and galactose and arabinose as the cell wall sugars. The major fatty acids were C16 : 0, C18 : 1ω9c, C16 : 1(ω6c and/or ω7c) and 10-methyl C18 : 0. The only menaquinone detected was MK-8(H2), while the major polar lipids were diphosphatidylglycerol, phosphatidylethanolamine, phosphatidylglycerol, phosphatidylinositol, phosphatidylinositol mannoside and one unknown phospholipid. The G+C content of the genomic DNA was 66.9 mol%. The phenotypic and genotypic data showed that strain NIO-1009T warrants recognition as a novel species of the genus

Rhodococcus

for which the name Rhodococcus enclensis sp. nov., is proposed; the type strain is NIO-1009T ( = NCIM 5452T = DSM 45688T).
Profiling direct mRNA-microRNA interactions using synthetic biotinylated microRNA-duplexes
Authors: Wani Shivangi , Cloonan Nicole
Published: May 2014

MicroRNAs (miRNAs) are predominantly negative regulators of gene expression that act through the RNA-induced Silencing Complex (RISC) to suppress the translation of protein coding mRNAs. Despite intense study of these regulatory molecules, the specific molecular functions of most miRNAs remain unknown, largely due to the challenge of accurately identifying miRNA targets. Reporter gene assays can determine direct interactions, but are laborious and do not scale to genome-wide screens. Genomic scale methods such as HITS-CLIP do not preserve the direct interactions, and rely on computationally derived predictions of interactions that are plagued by high false positive rates. Here we describe a protocol for the isolation of direct targets of a mature miRNA, using synthetic biotinylated miRNA duplexes. This approach allows sensitive and specific detection of miRNA-mRNA interactions, isolating high quality mRNA suitable for analysis by microarray or RNAseq.
Structural insights into the mechanism of calmodulin binding to death receptors
Authors: Cao Peng , Zhang Wenting , Gui Wenjun , Dong Yuhui , Jiang Tao , Gong Yong
Published: May 2014

The death receptors Fas, p75NTRand DR6 are key components of extrinsically activated apoptosis. Characterization of how they interact with the adaptors is crucial in order to unravel the signalling mechanisms. However, the exact conformation that their intracellular death domain adopts upon binding downstream partners remains unclear. One model suggests that it adopts a typical compact fold, whilst a second model proposed an open conformation. Calmodulin (CaM), a major calcium sensor, has previously been reported to be one of the Fas adaptors that modulate apoptosis. This work reports that CaM also binds directly to the death domains of p75NTRand DR6, indicating that it serves as a common modulator of the death receptors. Two crystal structures of CaM in complexes with the corresponding binding regions of Fas and p75NTRare also reported. Interestingly, the precise CaM-binding sites were mapped to different regions: helix 1 in Fas and helix 5 in p75NTRand DR6. A novel 1–11 motif for CaM binding was observed in p75NTR. Modelling the complexes of CaM with full-length receptors reveals that the opening of the death domains would be essential in order to expose their binding sites for CaM. These results may facilitate understanding of the diverse functional repertoire of death receptors and CaM and provide further insights necessary for the design of potential therapeutic peptide agents.
3-(2-Methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate monohydrate
Authors: Zhang Guo-Cui , Kong Ming , Li Sheng-Li
Published: May 2014

In the title hydrated zwitterion, C11H13NO3S2·H2O, the N—C—C—C and C—C—C—S torsion angles in the side-chain are 171.06 (14) and 173.73 (12)°, respectively. In the crystal, inversion-related molecules are π-stacked with an interplanar separation of 3.3847 (2) Å. O—H...O hydrogen bonds link inversion-related molecules with a pair of water molecules to formR42(8) rings. The closest S...S contact is 3.4051 (15) Å between inversion-related molecules.
catena-Poly[[lithium-μ2-(dihydrogen pyrazine-2,3,5,6-tetracarboxylato)-κ6O2,N1,O6;O3,N4,O5-lithium-di-μ-aqua-κ4O:O] 2.5-hydrate]
Authors: Starosta Wojciech , Leciejewicz Janusz
Published: May 2014

The title coordination polymer, {[Li2(C8H2N2O8)(H2O)2]·2.5H2O}n, is built up from molecular ribbons propagating in thec-axis direction of the orthorhombic unit cell; the ligand bridges two Li+ions using both itsN,O,O′-bonding sites and adjacent Li+ions are bridged by pairs of water molecules. The coordination geometry of the metal ion is distorted trigonal bipyramidal, with the ligand O atoms in the axial sites. Two of the carboxylate groups of the ligand remain protonated and form short symmetric O—H...O hydrogen bonds. In the crystal, the ribbons interactviaa network of O—H...O hydrogen bonds in which coordinating water molecules act as donors and carboxylate O atoms within adjacent ribbons act as acceptors, giving rise to a three-dimensional framework. O—H...N interactions are also observed. The asymmetric unit contains quarter of the ligand and the complete ligand has 2/msymmetry; the Li+ion lies on a special position withm.. site symmetry. Both bridging water molecules havem2msite symmetry and both lattice water molecules havem.. site symmetry; one of the latter was modelled with a site occupancy of 0.25.
High-pressure-induced structural changes, amorphization and molecule penetration in MFI microporous materials: a review
Authors: Vezzalini Giovanna , Arletti Rossella , Quartieri Simona
Published: May 2014

This is a comparative study on the high-pressure behavior of microporous materials with an MFI framework type (i.e.natural mutinaite, ZSM-5 and the all-silica phase silicalite-1), based onin-situexperiments in which penetrating and non-penetrating pressure-transmitting media were used. Different pressure-induced phenomena and deformation mechanisms (e.g.pressure-induced over-hydration, pressure-induced amorphization) are discussed. The influence of framework and extra-framework composition and of the presence of silanol defects on the response to the high pressure of MFI-type zeolites is discussed.
Octyl 1-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-chlorophenyl)-1H-benzimidazole-5-carboxylate: complex sheets built from N—H...N, C—H...N and C—H...O hydrogen bonds
Authors: Cortés Edwar , Abonía Rodrigo , Cobo Justo , Glidewell Christopher
Published: May 2014

In the title compound, C29H35ClN4O2, the bond lengths provide evidence for aromatic delocalization in the pyrazole ring but bond fixation in the fused imidazole ring, and the octyl chain is folded, rather than adopting an all-transchain-extended conformation. A combination of N—H...N, C—H...N and C—H...O hydrogen bonds links the molecules into sheets, in which the hydrogen bonds occupy the central layer with thetert-butyl and octyl groups arranged on either side, such that the closest contacts between adjacent sheets involve only the octyl groups. Comparisons are made with the supramolecular assembly in some simpler analogues.
Structures and binding specificity of galactose- and mannose-binding lectins from champedak: differences from jackfruit lectins
Authors: Gabrielsen Mads , Abdul-Rahman Puteri Shafinaz , Othman Shatrah , Hashim Onn H. , Cogdell Richard J.
Published: May 2014

Galactose-binding and mannose-binding lectins from the champedak fruit, which is native to South-east Asia, exhibit useful potential clinical applications. The specificity of the two lectins for their respective ligands allows the detection of potential cancer biomarkers and monitoring of the glycosylated state of proteins in human serum and/or urine. To fully understand and expand the use of these natural proteins, their complete sequences and crystal structures are presented here, together with details of sugar binding.
Maria Edgeworth's Infant Economics: Capitalist Culture, Good‐Will Networks and ‘Lazy Lawrence’
Authors: WEISS DEBORAH
Published: May 2014

This article argues that in ‘Lazy Lawrence’, the lead story in The Parent's Assistant (1796; 1800), Maria Edgeworth used juvenile fiction to present an alternative to what she saw as the harmful values of Britain's flourishing late eighteenth‐century capitalist economy. Edgeworth's innovative, realistic story about two children, one hard‐working and one lazy, teaches young readers to value good economic character and communal well‐being above individual self‐ interest. The article seeks to reveal the sophistication of economic thought in Edgeworth's juvenile fiction and to demonstrate that women authors of children's literature contributed to the debate over capitalism in early nineteenth‐century Britain.
Serum YKL‐40 and uterine artery Doppler – a prospective cohort study, with focus on preeclampsia and small‐for‐gestational‐age
Authors: Gybel‐Brask Dorte , Høgdall Estrid , Johansen Julia , Christensen Ib Jarle , Skibsted Lillian
Published: May 2014

Objective

To test if serum YKL‐40 is increased in women developing preeclampsia or small‐for‐gestational age fetuses. We also assessed the association between uterine artery pulsatility index, notching and serum YKL‐40 levels.

Design

Prospective cohort study.

Setting

A primary referral unit for obstetric ultrasound.

Population

A total of 1214 unselected pregnant women enrolled at nuchal translucency examination between 11+3 and 13+6 weeks of gestation.

Methods

All women had ultrasound and blood sample collection at the nuchal translucency scan, a 20‐week malformation scan and 25‐week and 32‐week fetal growth examinations. Uterine artery Doppler was assessed and outcome was registered from medical records.

Main outcome measures

Preeclampsia, hypertension, small‐for‐gestational age.

Results

Serum YKL‐40 was associated with increasing maternal age (p < 0.0001), body mass index (p = 0.0002), primiparity (p = 0.0003), and hypertension (p = 0.015). Serum YKL‐40 increased from 12 to 20 weeks and decreased from 20–25 and 25–32 weeks of gestation. No association was found between preeclampsia and serum YKL‐40. Small‐for‐gestational‐age at birth was significantly associated with a 5.4% increase in serum YKL‐40 at 32 weeks of gestation (95% CI 1.5–9.3, p = 0.005). An association was found between uterine artery pulsatility index at 32 weeks and small‐for‐gestational age (p = 0.0015) but not between YKL‐40 and uterine artery notching (p = 0.83).

Conclusions

Serum YKL‐40 was not associated with preeclampsia. Increasing serum YKL‐40 was related to maternal age, body mass index and small‐for‐gestational age and may reflect an exaggerated inflammatory response.
Unidirectional barbed suture for vesicourethral anastomosis during laparoscopic radical prostatectomy
Authors: Takeda Toshikazu , Miyajima Akira , Kaneko Gou , Hasegawa Masanori , Kikuchi Eiji , Oya Mototsugu
Published: May 2014

Introduction

We investigated the impact of unidirectional barbed suture (UBS) for vesicourethral anastomosis (VUA) during laparoscopic radical prostatectomy.

Methods

The polyglyconate UBS V‐Loc 180 was used for VUA during laparoscopic radical prostatectomy in 30 consecutive patients who were diagnosed with organ‐confined prostate cancer between January and October 2012. The operative and postoperative parameters were then compared with those of 30 consecutive patients who had previously undergone the same procedure but with the monofilament poliglecaprone suture Monocryl. All procedures were performed by the same experienced surgeon.

Results

VUA time was significantly shorter in the V‐Loc group (13.2 ± 2.3 min) than in the Monocryl group (19.1 ± 3.3 min) (P < 0.001). The V‐Loc group required significantly more stitches than the Monocryl group (11.4 ± 1.3 vs 10.6 ± 1.6 stitches; P = 0.031). The percentage of patients who required no more than one pad per day at 3 months postoperatively was significantly higher in the V‐Loc group (63.3%) than in the Monocryl group (23.3%) (P = 0.020). No significant differences in other perioperative parameters were observed between the two groups.

Conclusion

Using UBS prevents suture slippage and enables tieless anastomosis. VUA using a UBS may relieve surgeon stress because a rapid and secure anastomosis is achievable.
Structure of the female reproductive system of the lac insect, Kerria chinensis (Sternorrhyncha, Coccoidea: Kerridae)
Authors: Ngernsiri Lertluk , Piyajaraprasert Wichian , Wisoram Wijit , Merritt David John
Published: May 2014

The ovaries of female lac insects, Kerria chinensis Mahd (Sternorrhyncha: Coccoidea: Kerridae), at the last nymphal stage are composed of several balloon‐like clusters of cystocytes with different sizes. Each cluster consists of several clusters of cystocytes arranging in rosette forms. At the adult stage, the pair of ovaries consists of about 600 ovarioles of the telotrophic‐meroistic type. An unusual feature when considering most scale insects is that the lateral oviducts are highly branched, each with a number of short ovarioles. Each ovariole is subdivided into an anterior trophic chamber (tropharium) containing six or seven large trophocytes and a posterior vitellarium harbouring one oocyte which is connected with the trophic chamber via a nutritive cord. No terminal filament is present. Late‐stage adult females show synchronized development of the ovarioles, while in undernourished females, a small proportion of ovarioles proceed to maturity.
Knowing how to look predicts the ability to draw realistically
Authors: Drake Jennifer E.
Published: May 2014

Some young children are able to create stunningly realistic drawings resembling those of adult artists. What perceptual abilities underlie this talent? This study examined two candidate skills on which adult artists excel: the ability to segment a complex form mentally (measured by the Block Design Task) and the ability to see hidden forms (measured by the Group Embedded Figures Test). Sixty‐seven 6‐ to 13‐year‐olds with a wide range of drawing abilities completed these tasks as well as an IQ test and an observational drawing task. While children who scored high on drawing realism outperformed those who scored low in drawing realism on both perceptual tasks, only detection of embedded figures predicted drawing realism. This occurred independently of age, gender, years of training, and verbal and non‐verbal IQ. There are certainly many contributors to this complex ability, but one component appears to be the tendency to see things more as they really are and thereby recognize the continuous contour of an object despite interference from other overlapping objects.
Patient experiences with gene panels based on exome sequencing in clinical diagnostics: high acceptance and low distress
Authors: Sie A.S. , Prins J.B. , van Zelst‐Stams W.A.G. , Veltman J.A. , Feenstra I. , Hoogerbrugge N.
Published: May 2014

The Radboud University Medical Center was among the first to implement two‐step exome sequencing in clinical genetic diagnostics. This study is the first to evaluate patient experiences with gene panels based on exome sequencing, using quantified psychological variables: acceptance, psychological distress, expectations of heredity and unsolicited findings. Between August 2011 and July 2012, 177 patients diagnosed with early‐onset colorectal/kidney cancer, deafness, blindness or movement disorder consented to diagnostic exome sequencing offered by clinical geneticists. Baseline questionnaires were sent to 141 adults, returned by 111 with median age of 49 [22–79] years and positive family history in 81%. Follow‐up included 91 responders at median 4 [2–22] weeks after results from known gene panels per diagnosis group; exome‐wide analysis is ongoing. Confirmed or possibly pathogenic mutations were found in 31% with one unsolicited finding (oncogenetic panel). Most patients (92%) were satisfied. There were no significant changes in heredity‐specific distress (18% at baseline, 17% at follow‐up) and expectations of heredity. Fewer patients expected unsolicited findings at follow‐up (29% vs 18%, p = 0.01). Satisfaction and distress were equal in those with vs without mutations. In conclusion, most adults accepted and were satisfied with gene panels based on diagnostic exome sequencing, few reporting distress.
Pathogenetic mechanisms of focal cortical dysplasia
Authors: Marin‐Valencia Isaac , Guerrini Renzo , Gleeson Joseph G.
Published: May 2014

Focal cortical dysplasias (FCDs) constitute a prevalent cause of intractable epilepsy in children, and is one of the leading conditions requiring epilepsy surgery. Despite recent advances in the cellular and molecular biology of these conditions, the pathogenetic mechanisms of FCDs remain largely unknown. The purpose if this work is to review the molecular underpinnings of FCDs and to highlight potential therapeutic targets. A systematic review of the literature regarding the histologic, molecular, and electrophysiologic aspects of FCDs was conducted. Disruption of the mammalian target of rapamycin (mTOR) signaling comprises a common pathway underlying the structural and electrical disturbances of some FCDs. Other mechanisms such as viral infections, prematurity, head trauma, and brain tumors are also posited. mTOR inhibitors (i.e., rapamycin) have shown positive results on seizure management in animal models and in a small cohort of patients with FCD. Encouraging progress has been achieved on the molecular and electrophysiologic basis of constitutive cells in the dysplastic tissue. Despite the promising results of mTOR inhibitors, large‐scale randomized trials are in need to evaluate their efficacy and side effects, along with additional mechanistic studies for the development of novel, molecular‐based diagnostic and therapeutic approaches.

A PowerPoint slide summarizing this article is available for download in the Supporting Information section here.
Are afebrile seizures associated with minor infections a single seizure category? A hospital‐based prospective cohort study on outcomes of first afebrile seizure in early childhood
Authors: Zhang Ting , Ma Jiannan , Gan Xiaoming , Xiao Nong
Published: May 2014

Objective

To explore if afebrile seizures associated with minor infections are a single category of seizure, or a set of different kinds of seizures.

Methods

We conducted this prospective cohort study on three kinds of first afebrile seizure: first afebrile seizure associated with gastrointestinal infection (AS‐GI), first afebrile seizure associated with nongastrointestinal infection (AS‐nGI), and first unprovoked seizure (US). The Kaplan‐Meier estimate risks of recurrent seizures were analyzed and compared pairwise. The characteristics of recurrent seizures were also compared pairwise.

Results

The Kaplan‐Meier estimate risks of recurrent seizure at 2 years of the AS‐GI, AS‐nGI, and US groups were 6.9%, 23.7%, and 37.8%, respectively. The pairwise differences were significant between the AS‐GI and US groups (p < 0.001) and between the AS‐GI and AS‐nGI groups (p = 0.001), but not significant between the US and AS‐nGI groups (p = 0.066). Among unprovoked subsequent seizures in patients with recurrence, the pairwise differences were significant between the AS‐GI and US groups (p < 0.001) and between the AS‐GI and AS‐nGI groups (p = 0.005), but not significant between the US and AS‐nGI groups (p = 0.417).

Significance

Afebrile seizures associated with minor infections are indeed of two distinguishable kinds: AS‐GI, if free of risk factors such as a family history of epilepsy, had a better prognosis and should be categorized as an acute symptomatic seizure, whereas patients with first AS‐nGI, like patients with first US, may have recurrent unprovoked seizures, which suggests this category's essential difference from AS‐GI.

A PowerPoint slide summarizing this article is available for download in the Supporting Information section here.
Association of ABCB1, CYP3A4, EPHX1, FAS, SCN1A, MICA,and BAG6 polymorphisms with the risk of carbamazepine‐induced Stevens‐Johnson syndrome/toxic epidermal necrolysis in Chinese Han patients with epilepsy
Authors: He Xiao‐Jing , Jian Ling‐Yan , He Xiao‐Lin , Tang Man , Wu Yan , Xu Yuan‐Yuan , Sun Xiao‐Jie , Zhao Li‐Mei
Published: May 2014

Objective

This study explored the association between the risk of carbamazepine (CBZ)–induced Stevens‐Johnson syndrome (SJS)/toxic epidermal necrolysis (TEN) and CBZ dose, dose‐adjusted concentration, and ABCB1, CYP3A4, EPHX1, FAS, SCN1A, MICA, and BAG6 polymorphisms in patients of Han ethnicity with epilepsy who were living in northeastern China.

Materials and methods

We determined the genotypes of patients with CBZ‐SJS/TEN and CBZ‐tolerant patients, who were used as controls, for ABCB1, CYP3A4, EPHX1, FAS, SCN1A, MICA, and BAG6 polymorphisms by polymerase chain reaction (PCR) amplification and direct sequencing. We measured the steady‐state serum CBZ concentrations using fluorescence polarization immunoassay for the control patients.

Results

We observed statistically significant differences in EPHX1 c.337T>C polymorphisms between patients with CBZ‐SJS/TEN and CBZ‐tolerant controls in terms of allelic and genotypic frequencies (p = 0.011 and p = 0.007, respectively). The C allele and the C‐G diplotype of EPHX1 may play important roles in increasing the risk of CBZ‐SJS/TEN development (odds ratio [OR] 0.478, 95% confidence interval [CI] = 0.267–0.855, p = 0.011; OR = 0.213, 95% CI = 0.049–0.930, p = 0.025, respectively). We did not observe any significant associations between ABCB1, CYP3A4, EPHX1, FAS, SCN1A, MICA or BAG6 genes and CBZ dose or dose‐adjusted concentration in CBZ‐tolerant patients.

Significance

We found a significant association between EPHX1 c.337T>C polymorphisms and the development of CBZ–SJS/TEN in patients of Han ethnicity living in northeastern China. EPHX1 c.337T>C polymorphisms may contribute to the risk of severe CBZ‐SJS/TEN by increasing the concentration of a CBZ metabolite, CBZ‐10,11‐epoxide, in patients with epilepsy.

A PowerPoint slide summarizing this article is available for download in the Supporting Information section here.
Response‐guided therapy in patients with genotype 1 hepatitis C virus: Current status and future prospects
Authors: Lawitz Eric J , Membreno Fernando E
Published: May 2014

On‐treatment responses to antiviral therapy are used to determine duration of therapy in patients being treated for genotype 1 hepatitis C virus infection. Such use of response‐guided therapy has successfully reduced exposure of patients to the side‐effects of pegylated interferon and ribavirin without jeopardizing overall treatment success. Response‐guided therapy is an integral part of treatment using the current standard treatments involving the direct‐acting antiviral (DAA) agents—boceprevir or telaprevir—combined with pegylated interferon/ribavirin. Improvements in our understanding of the kinetics of viral load during antiviral therapy have shown us that more potent suppression of viral replication increases the rate of viral eradication, providing impetus for the development of more potent DAAs. Emerging results from clinical trials of these agents—including trials of interferon‐free DAA combinations—suggest that very high rates of viral eradication are achievable, even in patients who failed to respond to previous courses of interferon‐based therapy. Furthermore, because of these high rates of treatment success, on‐treatment assessment of viral response may become unnecessary. The field of hepatitis C virus therapy is evolving rapidly and current trends indicate that the era of simple treatment regimens with high rates of success and good tolerability are near.