bluuebunny/crossref_metadata_2025 huggingface dataset:
Does diffusion‐weighted imaging improve therapy response evaluation in patients with hepatocellular carcinoma after radioembolization? comparison of MRI using Gd‐EOB‐DTPA with and without DWI
Authors: Schelhorn Juliane , Best Jan , Reinboldt Marcus P. , Dechêne Alexander , Gerken Guido , Ruhlmann Marcus , Lauenstein Thomas C. , Antoch Gerald , Kinner Sonja
Published: December 2014

Purpose

To investigate whether additional diffusion‐weighted imaging (DWI) improves therapy response evaluation by Gd‐EOB magnetic resonance imaging (MRI) in hepatocellular carcinoma (HCC) after radioembolization.

Materials and Methods

Fifty patients with radioembolization for HCC underwent gadobutrol and Gd‐EOB MRI with DWI prior to and 30, 90, and 180 days after radioembolization. A combination of gadobutrol MRI, alpha‐fetoprotein, and imaging follow‐up served as the reference standard. Two radiologists reviewed Gd‐EOB alone (Gd‐EOB), DWI alone (DWI), and the combination of both (Gd‐EOB+DWI) separately and in consensus using a 4‐point‐scale: 1 = definitely no tumor progression (TP), 2 = probably no TP, 3 = probably TP, 4 = definitely TP. Receiver operating characteristic (ROC) and kappa analysis were performed.

Results

Kappa values for Gd‐EOB, DWI, and Gd‐EOB+DWI ranged between 0.712 and 0.892 (P < 0.001). 30 days after radioembolization three out of 38 patients showed TP, which was missed by DWI in one case. No significant area under the curve (AUC) difference between Gd‐EOB (1.0, P = 0.004), DWI (0.881, P = 0.030), and Gd‐EOB+DWI (1.0, P = 0.004) was found (P = 0.320). 90 days after radioembolization six out of 28 patients showed TP, which was detected in one patient only by DWI and Gd‐EOB+DWI. The AUC did not differ significantly (P = 0.319) between Gd‐EOB (0.890, P = 0.004), DWI (1.0, P < 0.001), and Gd‐EOB+DWI (1.0, P < 0.001). 180 days after radioembolization five patients showed TP, which in one case was missed by DWI. The AUC did not differ significantly (P1 = 0.322, P2 = 0.369, P3 = 0.350) between Gd‐EOB (1.0, P = 0.003), DWI (0.913, P = 0.016), and Gd‐EOB+DWI (0.963, P = 0.007).

Conclusion

Additional DWI does not substantially improve therapy response evaluation by Gd‐EOB MRI in HCC after radioembolization but proved helpful in single cases. J. Magn. Reson. Imaging 2015;42:818–827.
Comparative Rheological Characterization of Two Natural Polymers from Sesamum radiatum and Bombax buonopozense for Application in Drug Delivery
Authors: Ngwuluka Ndidi , Nep Elijah , Ochekpe Nelson , Odumosu Patricia , Olorunfemi Patrick
Published: December 2014

Small deformation measurements have been used to characterize the rheological behaviour of two understudied natural polymers obtained from the leaves and calyxes of Sesamum radiatum and Bombax buonopozense respectively, by extraction with water, and then precipitation with absolute ethanol. Measurements performed on 1%w/v aqueous dispersion of each polymer at ambient conditions include viscosity, yield stress, oscillatory stress sweep, oscillatory frequency sweep, creep and recovery, and then temperature ramp. The measurements were done on the same samples on the first day and fourth day after storage at ambient temperature. The polymers exhibited shear‐ thinning with the viscosity of bombax gum remaining basically same on the 1st and 4th day while sesamum gum had a significant drop in viscosity by the 4th day. Bombax gum (yield value – 5.499 Pa at shear 0.114 s−1) had more internal strength than sesamum gum (yield value – 0.338 Pa at shear 0.032 s−1). In addition, bombax gum exhibited more elasticity and extended visco‐elastic region than sesamum gum. The present study suggests that bombax gum can be used for matrices and hydrogels with improved physicomechanical strength and sustained drug release while sesamum gum may require modification to achieve similar properties.
Micellization of Aminoterminated Poly(ethylene glycol)‐block‐poly(propylene glycol)‐block‐poly(ethylene glycol) in the Presence of Hyaluronic Acid
Authors: Neffe Axel T. , Santan Harshal D. , Kamlage Stefan , Gottschalk Benjamin , Lendlein Andreas
Published: December 2014

At concentrations above 15 wt‐%, aqueous solutions of mixtures of aminoterminated poly(ethylene glycol)‐block‐poly(propylene glycol)‐block‐poly(ethylene glycol) block copolymers (PEPE) and hyaluronic acid show a reversible sol‐gel‐transition upon change of temperature. For non‐aminoterminated PEPEs, this gel transition could be related to micellization and subsequent colloidal jamming of the micelles. Here, the mechanism of gelation for the aminoterminated compound is investigated by fluorescence spectroscopy and 1H‐NMR spectroscopy. The aminoterminated PEPE also form micelles. The onset of micellization is temperature and concentration dependent, and can be tuned to 20–40 °C. Interestingly, with increasing molecular weight of the hyaluronic acid component, the micellization is observed at lower concentrations.
Dynamic intravoxel incoherent motion imaging of skeletal muscle at rest and after exercise
Authors: Filli Lukas , Boss Andreas , Wurnig Moritz C. , Kenkel David , Andreisek Gustav , Guggenberger Roman
Published: December 2014

The purpose of this work was to demonstrate the feasibility of intravoxel incoherent motion imaging (IVIM) for non‐invasive quantification of perfusion and diffusion effects in skeletal muscle at rest and following exercise.

After IRB approval, eight healthy volunteers underwent diffusion‐weighted MRI of the forearm at 3 T and eight different b values between 0 and 500 s/mm2 with a temporal resolution of 57 s per dataset. Dynamic images were acquired before and after a standardized handgrip exercise. Diffusion (D) and pseudodiffusion (D*) coefficients as well as the perfusion fraction (FP) were measured in regions of interest in the flexor digitorum superficialis and profundus (FDS/FDP), brachioradialis, and extensor carpi radialis longus and brevis muscles by using a multi‐step bi‐exponential analysis in MATLAB. Parametrical maps were calculated voxel‐wise. Differences in D, D*, and FP between muscle groups and between time points were calculated using a repeated measures analysis of variance with post hoc Bonferroni tests.

Mean values and standard deviations at rest were the following: D*, 28.5 ± 11.4 × 10−3 mm2/s; FP, 0.03 ± 0.01; D, 1.45 ± 0.09 × 10−3 mm2/s. Changes of IVIM parameters were clearly visible on the parametrical maps. In the FDS/FDP, D* increased by 289 ± 236% (p < 0.029), FP by 138 ± 58% (p < 0.01), and D by 17 ± 9% (p < 0.01). A significant increase of IVIM parameters could also be detected in the brachioradialis muscle, which however was significantly lower than in the FDS/FDP. After 20 min, all parameters were still significantly elevated in the FDS/FDP but not in the brachioradialis muscle compared with the resting state.

The IVIM approach allows simultaneous quantification of muscle perfusion and diffusion effects at rest and following exercise. It may thus provide a useful alternative to other non‐invasive methods such as arterial spin labeling. Possible fields of interest for this technique include perfusion‐related muscle diseases, such as peripheral arterial occlusive disease. Copyright © 2014 John Wiley & Sons, Ltd.
Coalescence and break-up of nearly inviscid conical droplets
Authors: Bartlett Casey T. , Généro Guillaume A. , Bird James C.
Published: December 2014

In the presence of electric fields, pairs of liquid drops can be rapidly drawn together such that, at contact, the deformed interface resembles a double-cone. Following contact, these drop pairs are observed to either coalesce or recoil. Experimental and theoretical results suggest that the transition between coalescence and recoil is due to the conical drop topology rather than charge effects. However, even with this assumption, existing models disagree on how the transition develops, leading to different predictions of the critical cone angle and bridge morphology. Here we use high-resolution numerical simulations to highlight the impact of the initial double-cone angle on drop coalescence and reconcile the differences in the previous models. The results demonstrate a self-similar behaviour at intermediate scales for both coalescence and recoil that is independent of the other length scales in the problem. We calculate a critical polar angle of ${\it\theta}_{c}=1.14$ rad ($65.3^{\circ }$), or a complementary angle of ${\it\beta}=90^{\circ }-{\it\theta}_{c}=25^{\circ }$. This calculated critical angle for morphological transition is in agreement with previous experimental observations of ${\it\beta}\approx 27\pm 2^{\circ }$.
The rheology of non-dilute dispersions of highly deformable viscoelastic particles in Newtonian fluids
Authors: Avazmohammadi Reza , Ponte Castañeda Pedro
Published: December 2014

We present a model for the rheological behaviour of non-dilute suspensions of initially spherical viscoelastic particles in viscous fluids under uniform Stokes flow conditions. The particles are assumed to be neutrally buoyant Kelvin–Voigt solids undergoing time-dependent finite deformations and exhibiting generalized neo-Hookean behaviour in their purely elastic limit. We investigate the effects of the shape dynamics and constitutive properties of the viscoelastic particles on the macroscopic rheological behaviour of the suspensions. The proposed model makes use of known homogenization estimates for composite material systems consisting of random distributions of aligned ellipsoidal particles with prescribed two-point correlation functions to generate corresponding estimates for the instantaneous (incremental) response of the suspensions, together with appropriate evolution laws for the relevant microstructural variables. To illustrate the essential features of the model, we consider two special cases: (i) extensional flow and (ii) simple shear flow. For each case, we provide the time-dependent response and, when available, the steady-state solution for the average particle shape and orientation, as well as for the effective viscosity and normal stress differences in the suspensions. The results exhibit shear thickening for extensional flows and shear thinning for simple shear flows, and it is found that the volume fraction and constitutive properties of the particles significantly influence the rheology of the suspensions under both types of flows. In particular, for extensional flows, suspensions of particles with finite extensibility constraints are always found to reach a steady state, while this is only the case at sufficiently low strain rates for suspensions of (less realistic) neo-Hookean particles, as originally reported by Roscoe (J. Fluid Mech., vol. 28, 1967, pp. 273–293) and Gao et al. (J. Fluid Mech., vol. 687, 2011, pp. 209–237). For shear flows, viscoelastic particles with high viscosities can experience a damped oscillatory motion of decreasing amplitude before reaching the steady state.
St. Francis in Soho: Emmeline Pethick, Mary Neal, the West London Wesleyan Mission, and the Allure of “Simple Living” in the 1890s
Authors: Ross Ellen
Published: December 2014

An 1894 biography of St. Francis of Assisi was a milestone in the lives of two young urban missionaries. They were “Sisters of the People” at the dynamic and progressive Wesleyan Methodist West London Mission in Soho, a poor and overcrowded central London district. Sister Mary Neal and Sister Emmeline Pethick would eventually distinguish themselves nationally, Emmeline as a militant suffragist in tandem with her husband Frederick Pethick-Lawrence, and later as a feminist and peace activist; Mary as a music educator and folklorist. French protestant clergyman Paul Sabatier's scholarly but lyrical biography of Francis enthralled the mission's leaders, including the superintendent, Hugh Price Hughes. Francis's rejection of his family's wealth, his insistence on absolute poverty for himself and his followers, and his devotion to the poor presented a compelling model of Christian service, one that the two young Sisters found especially exciting. They resigned the Sisterhood in 1895 to live cheaply in workers' housing just north of their old turf. This decision launched them into a national community of Franciscan-inspired settlers, philanthropists, “simple livers,” and collective farmers—offering us a new perspective on fin de siècle social activism.
Institutional Dreams
Authors: Modern John Lardas
Published: December 2014

InInstitutional Dream Series (Sleeping in Public), 1972–73, Laurie Anderson slept in eight different public places in order to measure their institutional impression. In her experiment Anderson used dreams—ostensibly her own—“to see if the place can color or control my dreams.” The short answer was—yes.Institutional Dream Seriesis an exploration of the self as medium. In sleeping and recording her sleep on the beach at Coney Island, in the halls of night court, at the bureau of immigration and naturalization, and in the women's bathroom at Columbia University Library, Anderson's performance suggests that vulnerability to bureaucratic structures and organizational schemes is not something to be avoided but studied. For there is pleasure, fear, and wisdom to be found in such exposure.
ON DIFFERENCES BETWEEN THE BORDER RANK AND THE SMOOTHABLE RANK OF A POLYNOMIAL
Authors: BUCZYŃSKA WERONIKA , BUCZYŃSKI JAROSŁAW
Published: December 2014

We consider higher secant varieties to Veronese varieties. Most points on the rth secant variety are represented by a finite scheme of length r contained in the Veronese variety – in fact, for a general point, the scheme is just a union of r distinct points. A modern way to phrase it is: the smoothable rank is equal to the border rank for most polynomials. This property is very useful for studying secant varieties, especially, whenever the smoothable rank is equal to the border rank for all points of the secant variety in question. In this note, we investigate those special points for which the smoothable rank is not equal to the border rank. In particular, we show an explicit example of a cubic in five variables with border rank 5 and smoothable rank 6. We also prove that all cubics in at most four variables have the smoothable rank equal to the border rank.
LINEAR WEINGARTEN HYPERSURFACES WITH BOUNDED MEAN CURVATURE IN THE HYPERBOLIC SPACE
Authors: AQUINO CÍCERO P. , DE LIMA HENRIQUE F. , VELÁSQUEZ MARCO ANTONIO L.
Published: December 2014

We apply appropriate maximum principles in order to obtain characterization results concerning complete linear Weingarten hypersurfaces with bounded mean curvature in the hyperbolic space. By supposing a suitable restriction on the norm of the traceless part of the second fundamental form, we show that such a hypersurface must be either totally umbilical or isometric to a hyperbolic cylinder, when its scalar curvature is positive, or to a spherical cylinder, when its scalar curvature is negative. Related to the compact case, we also establish a rigidity result.
Carbohydrates and obesity: from evidence to policy in the UK
Authors: Jebb Susan A.
Published: December 2014

Carbohydrates provide the major source of energy in the diet and hence the type and amount of carbohydrate consumed is an important consideration for weight control. Recent risk assessments have shown that there is no consistent association between the proportions of energy consumed as carbohydrate and body weight and reinforce the dominance of total energy intake as the primary determinant of body weight. However, they have highlighted evidence that different types of carbohydrate have specific effects on the risk of obesity. Short-term experimental studies suggest that some types of dietary fibre may be linked to increased satiation and cohort studies are supportive of an association between low intakes of fibre-rich, whole-grain foods and weight gain. But these observations are not supported by evidence of effects on body weight in randomised controlled trials, suggesting that high-fibre or whole-grain intake may simply be a marker of a broader dietary pattern. Recent attention has focused on the growing evidence of a positive association between the intake of free sugars and weight gain and particularly the risks linked to consumption of sugar-sweetened beverages (SSB). Given the high population-level intake of free sugars the challenge is to identify actions that will successfully reduce consumption to contribute to reductions in the prevalence of obesity. The present paper considers the range of policy options available, using the Nuffield ladder of intervention to provide a framework for risk management, with a focus on the consumption of SSB. Current policy interventions are largely based around consumer education and encouragement to industry to renovate products to reduce the sugar content of food and drinks and/or reduce portion size, but dietary change has been slow. Further measures, including the use of specific incentives/disincentives may be needed to change consumption patterns, some of which may infringe personal or commercial freedom. For these policies to be implemented will require sustained efforts to create a climate in which such interventions are acceptable or even welcomed by society as an appropriate protection against obesity and other diet-related ill-health.
Assessing the Safety Factors of Ship Berthing Operations
Authors: Hsu Wen-Kai Kevin
Published: December 2014

The purpose of this paper is to discuss the safety of ship berthing operations in port. Based on the features of ship's berthing operations and relevant literature, the Safety Factors (SFs) of ship berthing at docks are first investigated. A Safety Index (SI) with a Fuzzy Analytic Hierarchy Process (AHP) model is then proposed to assess those SFs from port marine pilots, by which port managers and ship carriers may make policies to improve ship berthing safety. To validate the model, berthing operations at Kaohsiung Port in Taiwan were empirically investigated. The results indicate the main safety factors affecting ship berthing at port docks are: working concentration, the condition of mooring lines, emergency response, port policy of improving business and berth length. Based on those results, the theoretical and managerial implications for ship berthing safety at dock are finally discussed.
Security monitor inlining and certification for multithreaded Java
Authors: DAM MADS , JACOBS BART , LUNDBLAD ANDREAS , PIESSENS FRANK
Published: December 2014

Security monitor inlining is a technique for security policy enforcement whereby monitor functionality is injected into application code in the style of aspect-oriented programming. The intention is that the injected code enforces compliance with the policy (security), and otherwise interferes with the application as little as possible (conservativity and transparency). Such inliners are said to be correct. For sequential Java-like languages, inlining is well understood, and several provably correct inliners have been proposed. For multithreaded Java one difficulty is the need to maintain a shared monitor state. We show that this problem introduces fundamental limitations in the type of security policies that can be correctly enforced by inlining. A class of race-free policies is identified that precisely characterizes the inlineable policies by showing that inlining of a policy outside this class is either not secure or not transparent, and by exhibiting a concrete inliner for policies inside the class which is secure, conservative and transparent. The inliner is implemented for Java and applied to a number of practical application security policies. Finally, we discuss how certification in the style of proof-carrying code could be supported for inlined programs by using annotations to reduce a potentially complex verification problem for multithreaded Java bytecode to sequential verification of just the inlined code snippets.
Automatically inferring loop invariants via algorithmic learning
Authors: JUNG YUNGBUM , KONG SOONHO , DAVID CRISTINA , WANG BOW-YAW , YI KWANGKEUN
Published: December 2014

By combining algorithmic learning, decision procedures, predicate abstraction and simple templates for quantified formulae, we present an automated technique for finding loop invariants. Theoretically, this technique can find arbitrary first-order invariants (modulo a fixed set of atomic propositions and an underlying satisfiability modulo theories solver) in the form of the given template and exploit the flexibility in invariants by a simple randomized mechanism. In our study, the proposed technique was able to find quantified invariants for loops from the Linux source and other realistic programs. Our contribution is a simpler technique than the previous works yet with a reasonable derivation power.
Establishment of a primed pluripotent epiblast stem cell in FGF4-based conditions
Authors: Joo Jin Young , Choi Hyun Woo , Kim Min Jung , Zaehres Holm , Tapia Natalia , Stehling Martin , Jung Koo Sung , Do Jeong Tae , Schöler Hans R.
Published: December 2014

Several mouse pluripotent stem cell types have been established either from mouse blastocysts and epiblasts. Among these, embryonic stem cells (ESCs) are considered to represent a “naïve”, epiblast stem cells (EpiSCs) a “primed” pluripotent state. Although EpiSCs form derivatives of all three germ layers during invitro differentiation, they rarely incorporate into the inner cell mass of blastocysts and rarely contribute to chimera formation following blastocyst injection. Here we successfully established homogeneous population of EpiSC lines with efficient chimera-forming capability using a medium containing fibroblast growth factor (FGF)-4. The expression levels of Rex1 and Nanog was very low although Oct4 level is comparable to ESCs. EpiSCs also expressed higher levels of epiblast markers, such as Cer1, Eomes, Fgf5, Sox17 and T, and further showed complete DNA methylation of Stella and Dppa5 promoters. However, the EpiSCs were clustered separately from E3 and T9 EpiSC lines and showed a completely different global gene expression pattern to ESCs. Furthermore, the EpiSCs were able to differentiate into all three germ layers in vitro and efficiently formed teratomas and chimeric embryos (21.4%) without germ-line contribution.
Modelling and Applications of Planar Resonant Devices for Acoustic Particle Manipulation
Authors: Glynne-Jones Peter , Boltryk Rosemary J. , Hill Martyn
Published: December 2014

This chapter introduces the design, construction and applications of planar resonant devices for particle and cell manipulation. These systems rely on the pistonic action of a piezoelectric layer to generate a one-dimensional axial variation in acoustic pressure through a system of acoustically tuned layers. The resulting acoustic standing wave is dominated by planar variations in pressure causing particles to migrate to planar pressure nodes (or antinodes depending on particle and fluid properties). The consequences of lateral variations in the fields are discussed, and rules for designing resonators with high energy density within the appropriate layer for a given drive voltage presented.
Lab-on-a-chip Technologies Enabled by Surface Acoustic Waves
Authors: Ding Xiaoyun , Li Peng , Steven Lin Sz-Chin , Stratton Zackary S. , Nama Nitesh , Guo Feng , Slotcavage Daniel , Mao Xiaole , Shi Jinjie , Costanzo Francesco , Franke Thomas , Wixforth Achim , Huang Tony Jun
Published: December 2014

The recent introduction of surface acoustic wave (SAW) technology onto lab-on-a-chip platforms has opened a new frontier in microfluidics. The advantages provided by such SAW microfluidics are numerous: simple fabrication, high biocompatibility, fast fluid actuation, versatility, compact and inexpensive devices and accessories, contact-free particle manipulation, and compatibility with other microfluidic components. We believe that these advantages enable SAW microfluidics to play a significant role in a variety of applications in biology, chemistry, engineering, and medicine. In this book chapter, we review the SAW-enabled microfluidic devices demonstrated to date, starting with devices that accomplish fluid mixing and transport through the use of travelling SAW; we follow that by reviewing the more recent innovations achieved with standing SAW that enable such actions as particle/cell focusing, sorting, and patterning. Finally, we look forward and appraise where the discipline of SAW microfluidics could go next.
One-step functionalization of zwitterionic poly[(3-(methacryloylamino)propyl)dimethyl(3-sulfopropyl)ammonium hydroxide] surfaces by metal–polyphenol coating
Authors: Kim Suyeob , Kwak Seungjoo , Lee Seokchang , Cho Woo Kyung , Lee Jungkyu K. , Kang Sung Min
Published: December 2014

The non-biofouling properties of a zwitterionic sulfobetaine polymer surface were easily made attractive to bioentities by metal–polyphenol coating.
Bioimaging of the microRNA-294 expression-dependent color change in cells by a dual fluorophore-based molecular beacon
Authors: Ko Hae Young , Lee Jonghwan , Lee Yong Seung , Gu Ha-Na , Ali Bahy A. , Al-Khedhairy Abdulaziz A. , Heo Hyejung , Cho Sujeong , Kim Soonhag
Published: December 2014

A dual fluorophore-based color-tunable molecular beacon visualized the microRNA-294 expression-dependent color change in cells.
Secondary organic moiety templated organic–inorganic polyoxometalate-based frameworks
Authors: Xiao Li-Na , Wang La-Mei , Shan Xiao-Nan , Guo Hai-Yang , Fu Li-Wei , Hu Yang-Yang , Cui Xiao-Bing , Li Ke-Chang , Xu Ji-Qing
Published: December 2014

Four secondary organic moiety templated organic–inorganic polyoxometalate-based framework compounds have been synthesized and characterized.
The impact of zinc sulfate addition on the dynamic metabolic profiling of Saccharomyces cerevisiae subjected to long term acetic acid stress treatment and identification of key metabolites involved in the antioxidant effect of zinc
Authors: Wan Chun , Zhang Mingming , Fang Qing , Xiong Liang , Zhao Xinqing , Hasunuma Tomohisa , Bai Fengwu , Kondo Akihiko
Published: December 2014

Zinc modulates cellular amino acid metabolism and redox balance to exert its antioxidant effect.
Stereoelectronic effects: a simple yet powerful tool to manipulate anion affinity
Authors: Samet Masoud , Fattahi Alireza , Kass Steven R.
Published: December 2014

Stereoelectronic effects on anion binding were examined, IR spectroscopy was used to probe structures, and a well aligned non-interacting group can be more significant than a hydrogen bond donor.
In search of the appropriate theoretically justified mixing coefficient in parameter-free hybrid functionals for computing the NMR parameters
Authors: Alipour Mojtaba
Published: December 2014

The parameter-free hybrid density functionals, with theoretically justified mixing coefficients, are recommended to predict the NMR parameters.
Size effect of InAs quantum dots grown by metal organic chemical vapor deposition technique in storing electrical charges for memory applications
Authors: Islam Sk Masiul , Banerji P.
Published: December 2014

Size effect of MOCVD grown InAs QDs to use as charge storage nodes in non-volatile flash memory applications.
Iodine-mediated synthesis of indazolo-quinazolinones via a multi-component reaction
Authors: Palaniraja Jeyakannu , Roopan Selvaraj Mohana
Published: December 2014

We report an expeditious synthesis of selected indazolo-quinazolinone derivativesviaan iodine-mediated multi-component reaction (MCR).
Methods to determine the pressure dependence of the molecular order parameter in (bio)macromolecular fibres
Authors: Anton Arthur Markus , Gutsche Christof , Kossack Wilhelm , Kremer Friedrich
Published: December 2014

Combining FTIR spectroscopy and optical microscopy enables to correct the measured dichroism for the fibres' macroscopic orientation, and hence, separating pressure effects on macroscopic and microscopic scales.
Membrane rigidity induced by grafted polymer brush
Authors: Lei Zhen , Yang Shuang , Chen Er-Qiang
Published: December 2014

The contribution of neutral polymer brush to the curvature elasticity of the grafting surface is investigated theoretically.
Cation–π interaction in DOPA-deficient mussel adhesive protein mfp-1
Authors: Kim Sangsik , Faghihnejad Ali , Lee Yongjin , Jho YongSeok , Zeng Hongbo , Hwang Dong Soo
Published: December 2014

Deployment of cation–π interactions can be a complementary strategy for the successful underwater adhesion of mussels.
A dual-delivery system of pH-responsive chitosan-functionalized mesoporous silica nanoparticles bearing BMP-2 and dexamethasone for enhanced bone regeneration
Authors: Gan Qi , Zhu Jiaoyang , Yuan Yuan , Liu Honglai , Qian Jiangchao , Li Yongsheng , Liu Changsheng
Published: December 2014

A proton-triggered chitosan-MSNs ensemble is fabricated to simultaneously deliver dexamethasone and BMP-2. With the synergistic action of BMP-2 and Dex, this dual-delivery system can effectively enhance bone regeneration.
Self-interaction corrected density functional calculations of Rydberg states of molecular clusters: N,N-dimethylisopropylamine
Authors: Gudmundsdóttir Hildur , Zhang Yao , Weber Peter M. , Jónsson Hannes
Published: December 2014

Theoretical calculations of Rydberg excited states of molecular clusters consisting of N,N-dimethylisopropylamine molecules using a Perdew-Zunger self-interaction corrected energy functional are presented and compared with results of resonant multiphoton ionization measurements. The binding energy of the Rydberg electron in the monomer is calculated to be 2.79 eV and 2.27 eV in the 3s and 3p state, respectively, which compares well with measured values of 2.88 eV and 2.21 eV. Three different stable configurations of the dimer in the ground state were found using an energy functional that includes van der Waals interaction. The lowest ground state energy conformation has the two N-atoms widely separated, by 6.2 Å, while the Rydberg state energy is lowest for a configuration where the N-atoms of the two molecules come close together, separated by 3.7 Å. This conformational change is found to lower the Rydberg electron binding energy by 0.2 eV. The self-interaction corrected functional gives a highly localized hole on one of the two molecules, unlike results obtained using the PBE functional or the hybrid B3LYP functional which give a delocalized hole. For the trimer, the self-interaction corrected calculation gives a Rydberg electron binding energy lowered further by 0.13 eV as compared with the dimer. The calculated results compare well with trends observed in experimental measurements. The reduction of the Rydberg electron binding energy with cluster size can be ascribed to an effective delocalization of the positive charge of the hole by the induced and permanent dipole moments of the neighboring molecules. A further decrease observed to occur on a time scale of tens of ps can be ascribed to a structural rearrangement of the clusters in the Rydberg state where molecules rotate to orient their dipoles in response to the formation of the localized hole.
Entanglement and the three-dimensionality of the Bloch ball
Authors: Masanes Ll. , Müller M. P. , Pérez-García D. , Augusiak R.
Published: December 2014

We consider a very natural generalization of quantum theory by letting the dimension of the Bloch ball be not necessarily three. We analyze bipartite state spaces where each of the components has a d-dimensional Euclidean ball as state space. In addition to this, we impose two very natural assumptions: the continuity and reversibility of dynamics and the possibility of characterizing bipartite states by local measurements. We classify all these bipartite state spaces and prove that, except for the quantum two-qubit state space, none of them contains entangled states. Equivalently, in any of these non-quantum theories, interacting dynamics is impossible. This result reveals that “existence of entanglement” is the requirement with minimal logical content which singles out quantum theory from our family of theories.
Practical hyperdynamics method for systems with large changes in potential energy
Authors: Hirai Hirotoshi
Published: December 2014

A practical hyperdynamics method is proposed to accelerate systems with highly endothermic and exothermic reactions such as hydrocarbon pyrolysis and oxidation reactions. In this method, referred to as the “adaptive hyperdynamics (AHD) method,” the bias potential parameters are adaptively updated according to the change in potential energy. The approach is intensively examined for JP-10 (exo-tetrahydrodicyclopentadiene) pyrolysis simulations using the ReaxFF reactive force field. Valid boost parameter ranges are clarified as a result. It is shown that AHD can be used to model pyrolysis at temperatures as low as 1000 K while achieving a boost factor of around 105.
Ab initio study of the RbSr electronic structure: Potential energy curves, transition dipole moments, and permanent electric dipole moments
Authors: Pototschnig Johann V. , Krois Günter , Lackner Florian , Ernst Wolfgang E.
Published: December 2014

Excited states and the ground state of the diatomic molecule RbSr were calculated by post Hartree-Fock molecular orbital theory up to 22 000 cm−1. We applied a multireference configuration interaction calculation based on multiconfigurational self-consistent field wave functions. Both methods made use of effective core potentials and core polarization potentials. Potential energy curves, transition dipole moments, and permanent electric dipole moments were determined for RbSr and could be compared with other recent calculations. We found a good agreement with experimental spectra, which have been obtained recently by helium nanodroplet isolation spectroscopy. For the lowest two asymptotes (Rb (5s 2S) + Sr (5s4d 3P°) and Rb (5p 2P°) + Sr (5s2 1S)), which exhibit a significant spin-orbit coupling, we included relativistic effects by two approaches, one applying the Breit-Pauli Hamiltonian to the multireference configuration interaction wave functions, the other combining a spin-orbit Hamiltonian and multireference configuration interaction potential energy curves. Using the results for the relativistic potential energy curves that correspond to the Rb (5s 2S) + Sr (5s4d 3P°) asymptote, we have simulated dispersed fluorescence spectra as they were recently measured in our lab. The comparison with experimental data allows to benchmark both methods and demonstrate that spin-orbit coupling has to be included for the lowest states of RbSr.
Local electric dipole moments for periodic systems via density functional theory embedding
Authors: Luber Sandra
Published: December 2014

We describe a novel approach for the calculation of local electric dipole moments for periodic systems. Since the position operator is ill-defined in periodic systems, maximally localized Wannier functions based on the Berry-phase approach are usually employed for the evaluation of local contributions to the total electric dipole moment of the system. We propose an alternative approach: within a subsystem-density functional theory based embedding scheme, subset electric dipole moments are derived without any additional localization procedure, both for hybrid and non-hybrid exchange–correlation functionals. This opens the way to a computationally efficient evaluation of local electric dipole moments in (molecular) periodic systems as well as their rigorous splitting into atomic electric dipole moments. As examples, Infrared spectra of liquid ethylene carbonate and dimethyl carbonate are presented, which are commonly employed as solvents in Lithium ion batteries.
An orbital angular momentum radio communication system optimized by intensity controlled masks effectively: Theoretical design and experimental verification
Authors: Gao Xinlu , Huang Shanguo , Wei Yongfeng , Zhai Wensheng , Xu Wenjing , Yin Shan , Zhou Jing , Gu Wanyi
Published: December 2014

A system of generating and receiving orbital angular momentum (OAM) radio beams, which are collectively formed by two circular array antennas (CAAs) and effectively optimized by two intensity controlled masks, is proposed and experimentally investigated. The scheme is effective in blocking of the unwanted OAM modes and enhancing the power of received radio signals, which results in the capacity gain of system and extended transmission distance of the OAM radio beams. The operation principle of the intensity controlled masks, which can be regarded as both collimator and filter, is feasible and simple to realize. Numerical simulations of intensity and phase distributions at each key cross-sectional plane of the radio beams demonstrate the collimated results. The experimental results match well with the theoretical analysis and the receive distance of the OAM radio beam at radio frequency (RF) 20 GHz is extended up to 200 times of the wavelength of the RF signals, the measured distance is 5 times of the original measured distance. The presented proof-of-concept experiment demonstrates the feasibility of the system.
A flux-matched gyrokinetic analysis of DIII-D L-mode turbulence
Authors: Görler T. , White A. E. , Told D. , Jenko F. , Holland C. , Rhodes T. L.
Published: December 2014

Previous nonlinear gyrokinetic simulations of specific DIII-D L-mode cases have been found to significantly underpredict the ion heat transport and associated density and temperature fluctuation levels by up to almost one of order of magnitude in the outer-core domain, i.e., roughly in the last third of the minor radius. Since then, this so-called shortfall issue has been subject to various speculations on possible reasons and furthermore motivation for a number of dedicated comparisons for L-mode plasmas in comparable machines. However, only a rather limited number of simulations and gyrokinetic codes has been applied to the original scenario, thus calling for further dedicated investigations in order to broaden the scientific basis. The present work contributes along these lines by employing another well-established gyrokinetic code in a numerically and physically comprehensive manner. Contrary to the previous studies, only a mild underprediction is observed at the outer radial positions which can furthermore be overcome by varying the ion temperature gradient within the error bars associated with the experimental measurement. The significance and reliability of these simulations are demonstrated by benchmarks, numerical convergence tests, and furthermore by extensive validation studies. The latter involve cross-phase and cross-power spectra analyses of various fluctuating quantities and confirm a high degree of realism. The code discrepancies come as a surprise since the involved software packages had been benchmarked repeatedly and very successfully in the past. Further collaborative effort in identifying the underlying difference is hence required.
DNA on rails: Combing DNA fibers on nanogratings
Authors: Charlot Benoit , Teissier Roland , Drac Marjorie , Schwob Etienne
Published: December 2014

Rectilinear deposition of elongated DNA molecules was achieved by the forced dewetting of a DNA solution droplet over a nanograting. Uncoiling of double stranded DNA is made by the conjunction of both DNA terminal anchoring on a functionalized substrate and capillary force acting throughout the forced dewetting of a DNA solution droplet. The deposition over a nanograting allows the molecule to be uncoiled on the edges of the grooves and to maintain a rectilinear conformation. This DNA deposition technique uses transparent nanograting obtained by laser interference lithography and has been developed for the specific need in observation dsDNA molecules in extended conformation.
Ultra-broadband absorption by acoustic metamaterials
Authors: Jiang Xue , Liang Bin , Li Rui-qi , Zou Xin-ye , Yin Lei-lei , Cheng Jian-chun
Published: December 2014

We design and experimentally realize an ultra-broad band metamaterial-based acoustic absorption material. Unlike traditional acoustic absorbers, the designed device features a simple configuration unrestricted by the material type and does not require extra sound-absorbing materials, suggesting the potential to have simultaneously structural-stiffness and environmental-friendliness. Analytical analyses are provided to explain such distinct characteristics, which are revealed to stem from the localization and dissipation of waves with different frequencies at particular spatial positions. This is also demonstrated both numerically and experimentally. Our results may offer possible designs for various applications such as noise reduction and making underwater anechoic materials.
Ion beam modification of topological insulator bismuth selenide
Authors: Sharma P. A. , Lima Sharma A. L. , Hekmaty M. , Hattar K. , Stavila V. , Goeke R. , Erickson K. , Medlin D. L. , Brahlek M. , Koirala N. , Oh S.
Published: December 2014

We demonstrate chemical doping of a topological insulator Bi2Se3 using ion implantation. Ion beam-induced structural damage was characterized using grazing incidence X-ray diffraction and transmission electron microscopy. Ion damage was reversed using a simple thermal annealing step. Carrier-type conversion was achieved using ion implantation followed by an activation anneal in Bi2Se3 thin films. These two sets of experiments establish the feasibility of ion implantation for chemical modification of Bi2Se3, a prototypical topological insulator. Ion implantation can, in principle, be used for any topological insulator. The direct implantation of dopants should allow better control over carrier concentrations for the purposes of achieving low bulk conductivity. Ion implantation also enables the fabrication of inhomogeneously doped structures, which in turn should make possible new types of device designs.
Sequential lateral solidification of silicon thin films on low-k dielectrics for low temperature integration
Authors: Carta Fabio , Gates Stephen M. , Limanov Alexander B. , Hlaing Htay , Im James S. , Edelstein Daniel C. , Kymissis Ioannis
Published: December 2014

We present the excimer laser crystallization of amorphous silicon on a low dielectric constant (low-k) insulator for very large scale integration monolithic 3D integration and demonstrate that low dielectric constant materials are suitable substrates for 3D integration through laser crystallization of silicon thin films. We crystallized 100 nm amorphous silicon on top of SiO2 and SiCOH (low-k) dielectrics, at different material thicknesses (1 μm, 0.75 μm, and 0.5 μm). The amorphous silicon crystallization on low-k dielectric requires 35% less laser energy than on an SiO2 dielectric. This difference is related to the thermal conductivity of the two materials, in agreement with one dimensional simulations of the crystallization process. We analyzed the morphology of the material through defect-enhanced microscopy, Raman spectroscopy, and X-ray diffraction analysis. SEM micrographs show that polycrystalline silicon is characterized by micron-long grains with an average width of 543 nm for the SiO2 sample and 570 nm for the low-k samples. Comparison of the Raman spectra does not show any major difference in film quality for the two different dielectrics, and polycrystalline silicon peaks are closely placed around 517 cm−1. From X-ray diffraction analysis, the material crystallized on SiO2 shows a preferential (111) crystal orientation. In the SiCOH case, the 111 peak strength decreases dramatically and samples do not show preferential crystal orientation. A 1D finite element method simulation of the crystallization process on a back end of line structure shows that copper (Cu) damascene interconnects reach a temperature of 70 °C or lower with a 0.5 μm dielectric layer between the Cu and the molten Si layer, a favorable condition for monolithic 3D integration.
New evidence of melatonin receptor contribution to ram sperm functionality
Authors: Gonzalez-Arto Marta , Luna Caorlina , Pérez-Pé Rosaura , Muiño-Blanco Teresa , Cebrián-Pérez José A. , Casao Adriana
Published: December 2014

The present study analysed the involvement of melatonin, acting via its receptors (MT1 and MT2), in ram sperm functionality. Indirect immunofluorescence assays revealed no changes in the distribution or intensity of MT1 receptors, whereas different subpopulations were established for MT2 receptors in control, in vitro capacitated and acrosome-reacted ram spermatozoa. Chlortetracycline staining revealed the following correlations between the pattern of staining for MT2 receptors in: (1) non-capacitated (NC) sperm rate and the proportion of spermatozoa with equal immunostaining intensity in the acrosome and post-acrosome (r = 0.59, P < 0.001); (2) in capacitated (C) sperm rate and the proportion of spermatozoa with stronger reactivity in the acrosome (r = 0.60, P < 0.001); and (3) in acrosome-reacted (AR) sperm rate and the proportion of spermatozoa with more intense staining on the post-acrosome (r = 0.67, P < 0.001). Incubation of swim-up-selected samples with either 1 μM melatonin or MT1 and MT2 receptor agonists (2-phenylmelatonin 1 µM and 8-Methoxy-2-propionamidotetralin (8M-PDOT) 1 µM and 10 nM) at 39°C and 5% CO2 for 3 h resulted in a higher proportion of the NC pattern compared with the control group (P < 0.05), whereas treatment with MT1 and MT2 receptor antagonists (luzindole 1 µM and 4-phenyl-2-propionamidotetralin (4P-PDOT) 1 µM and 10 nM) decreased the proportion of spermatozoa exhibiting the NC pattern (P < 0.001) concomitant with an increase in those exhibiting the C pattern (P < 0.01). In conclusion, melatonin exerts a modulating effect on ram sperm functionality, primarily via activation of the MT2 receptor.
Screening of lactic acid bacteria that can form mixed-species biofilm with Saccharomyces cerevisiae
Authors: Furukawa Soichi , Isomae Ryosuke , Tsuchiya Noriko , Hirayama Satoru , Yamagishi Asuka , Kobayashi Miho , Suzuki Chise , Ogihara Hirokazu , Morinaga Yasushi
Published: December 2014

The abilities of lactic acid bacteria (LAB) to form mixed-species biofilm with Saccharomyces cerevisiae in a static co-culture were investigated out of 168 LAB stock cultures, and two Lactobacillus plantarum strains (D71 and E31) and one Leuconostoc mesenteroides strain K01 were found to form mixed-species biofilm with S. cerevisiae BY4741. SEM observation showed that there was no significant difference in morphological properties among these three mixed-species biofilms and they resembled that formed by S. cerevisiae with L. plantarum ML11-11 previously isolated from a brewing sample of Fukuyama pot vinegar. The co-aggregation assays showed that L. plantarum D71 and L. plantarum E31 could co-aggregate with S. cerevisiae similarly to L. plantarum ML11-11, while L. mesenteroides K01 had no ability to co-aggregate with yeast. The above results indicate that aggregation followed by direct cell-to-cell contact is required for mixed-species biofilm formation between these L. plantarum strains and S. cerevisiae, though some different mechanism may be involved in biofilm formation between L. mesenteroides strain and S. cerevisiae.
Modeling Linkage Disequilibrium and Performing Association Studies through Probabilistic Graphical Models: a Visiting Tour of Recent Advances
Authors: Sinoquet Christine , Mourad Raphaël
Published: December 2014

This chapter offers an in-depth review of recent developments based on probabilistic graphical models (PGMs) and dedicated to two major concerns: the fundamental task of modeling dependences within genetic data, that is linkage disequilibrium (LD), and the downstream application to genome-wide association studies (GWASs). Throughout the whole chapter, the selected examples illustrate the use of Bayesian networks, as well as that of Markov random fields, including conditional and hidden Markov random fields. First, the chapter surveys PGM-based approaches dedicated to LD modeling. The next section is devoted to PGM-based GWASs and mainly focuses on multilocus approaches, where PGMs allow to fully benefit from LD. This section also provides an illustration for the acknowledgment of confounding factors in GWASs. The next section is dedicated to the detection of epistastic relationships at the genome scale. A recapitulation and a discussion end the chapter. Finally, directions for future works are outlined.