bluuebunny/crossref_metadata_2025 huggingface dataset:
Intrapleural Fibrinolytic Therapy for Residual Coagulated Hemothorax After Lung Surgery
Authors: Huang Dayu , Zhao Deping , Zhou Yiming , Liu Hongchen , Chen Xiaofeng
Published: December 2015

Background

Many studies have described the use of intrapleural fibrinolytics for the treatment of complex pleural processes and traumatic hemothorax, but data are scarce regarding their use for hemothorax after lung surgery.

Objective

To evaluate the utility of intrapleural fibrinolytic therapy with urokinase for residual coagulated hemothorax (blood clot accumulation in the pleural cavity) after lung surgery.

Methods

From July 2009 to November 2013, 46 patients (33 males; mean age, 56.9 ± 10.7 years) were treated with intrapleural urokinase (250,000 IU per dose) for residual hemothorax after lung surgery. Complete response was defined as clinical improvement with complete drainage of the retained collection shown by chest X‐ray, and partial response as substantial resolution with minimal residual opacity (<25 % of the thorax). Follow‐up was at least 30 days.

Results

The procedure was successful in 42 patients (91.3 %), with complete response observed in 35/46 patients (76.1 %) and partial response in 7/46 (15.2 %). These 42 patients did not require re‐intervention for fluid accumulation in the pleural cavity. Treatment failed in 4 patients (8.7 %): one developed bronchopleural fistula that later resolved spontaneously and three (6.5 %) required thoracoscopic drainage for pleural cavity fluid accumulation and lung collapse. No patient required thoracotomy for total decortication. Intrapleural urokinase administration was not associated with serious adverse events, including bleeding complications or allergic reactions.

Conclusions

Intrapleural fibrinolytic agents should be considered a useful therapeutic option for the treatment of postoperative residual hemothorax. This method appears to be safe and effective in >90 % of patients with postoperative hemothorax.
Are We Ready for Mass Fatality Incidents? Preparedness of the US Mass Fatality Infrastructure
Authors: Merrill Jacqueline A. , Orr Mark , Chen Daniel Y. , Zhi Qi , Gershon Robyn R.
Published: December 2015

Objective

To assess the preparedness of the US mass fatality infrastructure, we developed and tested metrics for 3 components of preparedness: organizational, operational, and resource sharing networks.

Methods

In 2014, data were collected from 5 response sectors: medical examiners and coroners, the death care industry, health departments, faith-based organizations, and offices of emergency management. Scores were calculated within and across sectors and a weighted score was developed for the infrastructure.

Results

A total of 879 respondents reported highly variable organizational capabilities: 15% had responded to a mass fatality incident (MFI); 42% reported staff trained for an MFI, but only 27% for an MFI involving hazardous contaminants. Respondents estimated that 75% of their staff would be willing and able to respond, but only 53% if contaminants were involved. Most perceived their organization as somewhat prepared, but 13% indicated “not at all.” Operational capability scores ranged from 33% (death care industry) to 77% (offices of emergency management). Network capability analysis found that only 42% of possible reciprocal relationships between resource-sharing partners were present. The cross-sector composite score was 51%; that is, half the key capabilities for preparedness were in place.

Conclusions

The sectors in the US mass fatality infrastructure report suboptimal capability to respond. National leadership is needed to ensure sector-specific and infrastructure-wide preparedness for a large-scale MFI. (Disaster Med Public Health Preparedness. 2016;10:87–97)
Non-standard real-analytic realizations of some rotations of the circle
Authors: BANERJEE SHILPAK
Published: December 2015

We extend some aspects of the smooth approximation by conjugation method to the real-analytic set-up, and create examples of zero entropy, uniquely ergodic, real-analytic diffeomorphisms of the two-dimensional torus that are metrically isomorphic to some (Liouvillian) irrational rotations of the circle.
Return words of linear involutions and fundamental groups
Authors: BERTHÉ VALÉRIE , DELECROIX VINCENT , DOLCE FRANCESCO , PERRIN DOMINIQUE , REUTENAUER CHRISTOPHE , RINDONE GIUSEPPINA
Published: December 2015

We investigate the shifts associated with natural codings of linear involutions. We deduce, from the geometric representation of linear involutions as Poincaré maps of measured foliations, a suitable definition of return words which yields that the set of return words to a given word is a symmetric basis of the free group on the underlying alphabet,$A$. The set of return words with respect to a subgroup of finite index$G$of the free group on$A$is also proved to be a symmetric basis of$G$.
Science in an Indigenous School: Insight into Teacher Beliefs about Science Inquiry and their Development as Science Teachers
Authors: Rofe Craig , Moeed Azra , Anderson Dayle , Bartholomew Rex
Published: December 2015

School science aspires for students to develop conceptual, procedural and nature of science understandings as well as developing scientific literacy. Issues and complexities surrounding the development of science curriculum for Indigenous schools in New Zealand is a concern as little is known about these aspects of science learning in wharekura (Māori Indigenous School). This paper draws upon the findings of an empirical study to address the call for research into effective practices for supporting Indigenous students in learning science. The study is part of a larger project investigating and extending our understanding about how New Zealand teachers’ conceptualise science and science inquiry (investigation). Two Māori teachers participated in the research as well as their class who were supported by two researchers. Data were collected through in-depth interviews with teachers. This research reports the findings of how participating teachers’ conceptualise science inquiry and describes their perceptions of how and why their students should learn science and science inquiry. The paper also presents teachers’ views about their own development as science teachers and suggests two models to address the issue of science teaching in wharekura.
Does the continuation of warfarin change management outcomes in epistaxis patients?
Authors: Bola S , Marsh R , Braggins S , Potter C , Hickey S
Published: December 2015

Objective:

This study aimed to compare management, readmission rates and length of in-patient stay amongst warfarinised and non-warfarinised patients to ascertain future treatment protocols.

Methods:

A 12-month retrospective review was conducted of ENT epistaxis admissions. Admission details such as length of in-patient stay, clotting profile and management plan were recorded. Comparisons of management and outcome for warfarinised and non-warfarinised patients were made using the Fisher's exact paired t-test.

Results:

Of 176 epistaxis patients admitted, 31 per cent were warfarinised, 18 per cent were on another form of anticoagulation or antiplatelet therapy, and 51 per cent were not on any medication that might impose a bleeding risk. The international normalised ratio at admission was high in 13 per cent of warfarinised patients; the remaining patients had therapeutic or sub-therapeutic international normalised ratios and so warfarin was continued. The mean in-patient stay was similar for all cohorts; however, warfarinised patients had a higher readmission rate.

Conclusion:

Warfarinised epistaxis patients may be safely managed without stopping their anticoagulation therapy, provided their international normalised ratio is at therapeutic or sub-therapeutic levels. By continuing regular anticoagulation therapy, warfarinised patients may be discharged without delay.
The long-term health of vegetarians and vegans
Authors: Appleby Paul N. , Key Timothy J.
Published: December 2015

Vegetarians, who do not eat any meat, poultry or fish, constitute a significant minority of the world's population. Lacto-ovo-vegetarians consume dairy products and/or eggs, whereas vegans do not eat any foods derived wholly or partly from animals. Concerns over the health, environmental and economic consequences of a diet rich in meat and other animal products have focussed attention on those who exclude some or all of these foods from their diet. There has been extensive research into the nutritional adequacy of vegetarian diets, but less is known about the long-term health of vegetarians and vegans. We summarise the main findings from large cross-sectional and prospective cohort studies in western countries with a high proportion of vegetarian participants. Vegetarians have a lower prevalence of overweight and obesity and a lower risk of IHD compared with non-vegetarians from a similar background, whereas the data are equivocal for stroke. For cancer, there is some evidence that the risk for all cancer sites combined is slightly lower in vegetarians than in non-vegetarians, but findings for individual cancer sites are inconclusive. Vegetarians have also been found to have lower risks for diabetes, diverticular disease and eye cataract. Overall mortality is similar for vegetarians and comparable non-vegetarians, but vegetarian groups compare favourably with the general population. The long-term health of vegetarians appears to be generally good, and for some diseases and medical conditions it may be better than that of comparable omnivores. Much more research is needed, particularly on the long-term health of vegans.
Meta-analysis of social cognition in attention-deficit/hyperactivity disorder (ADHD): comparison with healthy controls and autistic spectrum disorder
Authors: Bora E. , Pantelis C.
Published: December 2015

Background

Impairment in social cognition is an established finding in autism spectrum disorders (ASD). Emerging evidence suggests that attention-deficit/hyperactivity disorder (ADHD) might be also associated with deficits in theory of mind (ToM) and emotion recognition. However, there are inconsistent findings, and it has been debatable whether such deficits persist beyond childhood and how similar social cognitive deficits are in ADHD v. ASD.

Method

We conducted a meta-analysis of social cognition, including emotion recognition and ToM, studies in ADHD compared with healthy controls and ASD. The current meta-analysis involved 44 studies comparing ADHD (n = 1999) with healthy controls (n = 1725) and 17 studies comparing ADHD (n = 772) with ASD (n = 710).

Results

Facial and vocal emotion recognition (d = 0.40–0.44) and ToM (d = 0.43) abilities were significantly impaired in ADHD. The most robust facial emotion recognition deficits were evident in anger and fear. Social cognitive deficits were either very subtle (emotion recognition) or non-significant (ToM) in adults with ADHD. Deficits in social cognition, especially ToM, were significantly more pronounced in ASD compared with ADHD. General cognitive impairment has contributed to social cognitive deficits in ADHD.

Conclusions

Performance of individuals with ADHD on social cognition lies intermediate between ASD and healthy controls. However, developmental trajectories of social cognition probably differ between ADHD and ASD as social cognitive deficits in ADHD might be improving with age in most individuals. There is a need for studies investigating a potential subtype of ADHD with persistent social cognitive deficits and exploring longitudinal changes in social cognition during development.
Laser excitation of terahertz surface plasma wave over a hollow capillary plasma
Authors: Singh Rohtash , Tripathi V. K.
Published: December 2015

Two collinear laser pulses of finite spot size propagating through a capillary plasma, modeled as a hollow plasma cylinder, are shown to produce beat frequency terahertz (THz) surface plasmons at the inner surface. The evanescent laser fields in the plasma impart oscillatory velocity to electrons and exert a beat ponderomotive force on them. The static component of the ponderomotive force inhibits plasma from filling the vacuum region while the beat frequency component produces a nonlinear current (${\vec J^{{\;\rm NL}}}$) that drives the difference frequency THz surface plasma wave (SPW). Phase matching for the THz surface wave excitation is achieved when the group velocity of the lasers equals the phase velocity of the beat frequency SPW. At laser intensities of ~1014W/cm2at 10 μm wavelength, one may attain normalized surface wave amplitude ~ 0.03.
Law, Sovereignty, and the War on Smuggling in Coastal China, 1928–1937
Authors: Thai Philip
Published: December 2015

In October 1934, agents from the Chinese Maritime Customs Service received a hot tip that an otherwise unremarkable village off the coast of Shandong was hiding valuable contraband. A search party dispatched to investigate verified the claim after raiding several homes and uncovering sixty-nine bags of sugar. Seeking to add to this already sizeable haul, agents then scaled the walls of another home and discovered ten more bags hidden in the backyard. This time, however, they were met by incensed homeowner Yu Guangbo, who charged at the intruders with a pitchfork and seriously injured an officer when he tried to seize a handgun. His resistance was fierce but, ultimately, futile. Outnumbered, Yu was quickly subdued, beaten, and bound. Left alone in the village temple, he untied himself the next day before reporting his harsh treatment to a local court and inaugurating a lawsuit that would last almost a decade.
Screening for language delay after life-saving therapies in term-born infants
Authors: Clark Brenda G. , Acton Bryan V. , Alton Gwen Y. , Joffe Ari R. , Dinu Irina A. , Robertson Charlene M. T.
Published: December 2015

Background

Strong recommendations have been made for the periodic developmental surveillance, screening, and evaluation of children with CHD. This supports similar calls for all at-risk children in order to provide timely, structured early developmental intervention that may improve outcomes. The aim of this study was to determine the accuracy of screening for language delay after life-saving therapies using the parent-completed vocabulary screen of the language Development Survey, by comparing screening with the individually administered language scores of the Bayley Scales of Infant and Toddler Development, Third edition.

Method

In total, 310 (92.5%) of 335 eligible term-born children, born between 2004 and 2011, receiving complex cardiac surgery, heart or liver transplantation, or extracorporeal membrane oxygenation in infancy, were assessed at 21.5 (2.8) months of age (lost, 25 (7.5%)), through developmental/rehabilitation centres at six sites as part of the Western Canadian Complex Pediatric Therapies Follow-up Group.

Results

Vocabulary screening delay was defined as scores ⩽15th percentile. Language delay defined as scores >1 SD below the mean was calculated for language composite score, receptive and expressive communication scores of the Bayley-III. Delayed scores for the 310 children were as follows: vocabulary, 144 (46.5%); language composite, 125 (40.3%); receptive communication, 98 (31.6%); and expressive communication, 124 (40%). Sensitivity, specificity, positive predictive values, and negative predictive values of screened vocabulary delay for tested language composite delay were 79.2, 75.7, 68.8, and 84.3%, respectively.

Conclusion

High rates of language delay after life-saving therapies are concerning. Although the screening test appears to over-identify language delay relative to the tested Bayley-III, it may be a useful screening tool for early language development leading to earlier referral for intervention.
The clinical inadequacy of the DSM-5 classification of somatic symptom and related disorders: an alternative trans-diagnostic model
Authors: Cosci Fiammetta , Fava Giovanni A.
Published: December 2015

The Diagnostic and Statistical of Mental Disorders, Fifth Edition (DSM-5) somatic symptom and related disorders chapter has a limited clinical utility. In addition to the problems that the single diagnostic rubrics and the deletion of the diagnosis of hypochondriasis entail, there are 2 major ambiguities: (1) the use of the term “somatic symptoms” reflects an ill-defined concept of somatization and (2) abnormal illness behavior is included in all diagnostic rubrics, but it is never conceptually defined. In the present review of the literature, we will attempt to approach the clinical issue from a different angle, by introducing the trans-diagnostic viewpoint of illness behavior and propose an alternative clinimetric classification system, based on the Diagnostic Criteria for Psychosomatic Research.
Expanding and Adapting the Protean Career Management Scale for University Students (PCMS-U)
Authors: Liberato Borges Ludmila F. , De Andrade Alexsandro L. , Ziebell de Oliveira Manoela , Guerra Valeschka Martins
Published: December 2015

Many changes in the socioeconomic scenario led to the emergence of different models of career guidance, among which the protean career stands out. This model works with the prospect of a career that is self-directed and aligned with personal values, with important propositions for both professionals and students entering the work market. In the Brazilian scenario, however, there is a lack of appropriate measures to evaluate protean aspects among college students without work experience. Thus, the present study aimed at adapting and validating the attitudes towards the Protean Career Scale to this population. The sample consisted of 902 students aging from 18 to 30 years old (M= 22.52;SD= 6.53) attending 34 different undergraduate courses. Exploratory and confirmatory analysis attested the two-dimensional nature of the scale structure. The reliability indexes were satisfactory: over .65. The correlation between the protean models and factors such as personality, values, and locus of control provided adequate evidence of the measure’s predictive validity (p< .05).
Chemically catalyzed oxidative cleavage of unsaturated fatty acids and their derivatives into valuable products for industrial applications: a review and perspective
Authors: Enferadi Kerenkan Amir , Béland François , Do Trong-On
Published: December 2015

Recent catalytic systems reported for the oxidative cleavage of UFAs have been investigated in three classes; homogeneous, heterogeneous, and semi-heterogeneous catalysts.
Highly active and durable Pd/Fe2O3 catalysts for wet CO oxidation under ambient conditions
Authors: Ivanova A. S. , Slavinskaya E. M. , Stonkus O. A. , Gulyaev R. V. , Glazneva T. S. , Noskov A. S. , Boronin A. I.
Published: December 2015

Pd/Fe2O3(FeOOH) catalysts were prepared in different ways: T – traditional incipient wetness impregnation (IWI) from a solution of Pd(NO3)2, D – modification of the support surface by dimethylformamide prior to IWI, and DF – variant D followed by treatment with a HCOONa.
Photocatalytic production of hydrogen peroxide from water and dioxygen using cyano-bridged polynuclear transition metal complexes as water oxidation catalysts
Authors: Isaka Yusuke , Oyama Kohei , Yamada Yusuke , Suenobu Tomoyoshi , Fukuzumi Shunichi
Published: December 2015

H2O2 was produced from H2O and O2 using cyano-bridged polynuclear transition metal complexes as water oxidation catalysts with a Ru photocatalyst in water under visible light irradiation.
Sulphanilic acid as a recyclable bifunctional organocatalyst in the selective conversion of lignocellulosic biomass to 5-HMF
Authors: Mirzaei Hamid M. , Karimi Babak
Published: December 2015

We herein report an unprecedented integrated process using organic salts as bifunctional organocatalysts under absolutely metal-free conditions for the conversion of a wide range of biomass-derived carbohydrates, cellulose, and even untreated lignocellulose (e.g.straw and barley husk) into 5-hydroxymethylfurfural (5-HMF).
Construction of a 3D rGO–collagen hybrid scaffold for enhancement of the neural differentiation of mesenchymal stem cells
Authors: Guo Weibo , Wang Shu , Yu Xin , Qiu Jichuan , Li Jianhua , Tang Wei , Li Zhou , Mou Xiaoning , Liu Hong , Wang Zhonglin
Published: December 2015

The PADM–rGO hybrid scaffold is a promising candidate for nerve regeneration, which can not only support the adhesion and proliferation of MSCs but also can enhance the cells neural differentiation.
Controllable supramolecular polymerization through self-sorting of aliphatic and aromatic motifs
Authors: Chen Linghui , Huang Zehuan , Xu Jiang-Fei , Wang Zhiqiang , Zhang Xi
Published: December 2015

Self-sorting is one of the effective strategies to realize control over supramolecular polymerization.
Access to bicyclic hydroxamate macrocycles via intramolecular aza-(4 + 3) cyloaddition reactions of aza-oxyallylic cation intermediates
Authors: Acharya A. , Eickhoff J. A. , Chen K. , Catalano V. J. , Jeffrey C. S.
Published: December 2015

The intramolecular aza-(4 + 3) cycloaddition reactions ofin situgenerated aza-oxyallylic cations and furans have been reported for the construction of medium sized hydroxamate macrocycles.
Organocatalytic enantioselective Mukaiyama–Mannich reaction of fluorinated enol silyl ethers and cyclic N-sulfonyl ketimines
Authors: Yu Jin-Sheng , Zhou Jian
Published: December 2015

The first catalytic asymmetric Mukaiyama–Mannich reaction of fluorinated silyl enol ethers and ketimines is developed, allowing highly enantioselective synthesis of benzosultam based β-fluorinated Cα-tetrasubstituted α-amino acid derivatives.
Mesoporous Au nanotube-constructed three-dimensional films with excellent SERS performance based on the nanofiber template-displacement reaction strategy
Authors: He Hui , Li Kai , Dong Jing , Xia Jie , Zhang Yi , Yang Tonghui , Zhao Xinli , Huang Qingli , Zeng Xianghua
Published: December 2015

Mesoporous Au nanotube-constructed three-dimensional films with excellent SERS performance are fabricated by the nanofiber template-displacement reaction strategy.
First principles study of the adsorption and dissociation mechanisms of H2S on a TiO2anatase (001) surface
Authors: Shahzad Naeem , Hussain Akhtar , Mustafa Naeem , Ali Nisar , Kanoun Mohammed Benali , Goumri-Said Souraya
Published: December 2015

Adsorption and dissociation mechanisms of H2S on a TiO2(001) surface were elucidated using first principles calculation based on the density functional theory.
Molecular dynamics simulations on dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate/hexanitrohexaazaisowurtzitane cocrystal
Authors: Xiong Shuling , Chen Shusen , Jin Shaohua , Zhang Chunyuan
Published: December 2015

Dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate (TKX-50) is a newly synthesized explosive with excellent comprehensive properties, and TKX-50/ε-CL-20 cocrystal has been proved to form by molecular dynamics simulations.
Investigation of proton-driven amine functionalized tube array as ion responsive biomimetic nanochannels
Authors: Ma Qiao-Ling , Xia Hong , Zhang Shou-Ting , Qin Dong-Dong , Devaramani Samrat , Shan Duo-Liang , Lu Xiao-Quan
Published: December 2015

A simple amine embellished tube array was assembled at the liquid–liquid interface to study ion transfer behavior.
A facile hydrothermal synthesis of a reduced graphene oxide modified cobalt disulfide composite electrode for high-performance supercapacitors
Authors: Liu Guijing , Wang Bo , Wang Lei , Yuan Yuhe , Wang Dianlong
Published: December 2015

In this study, a 3D reduced graphene oxide modified CoS2 composite electrode (CoS2/RGO) is synthesized by a facile hydrothermal approach.
Oscillatory solitons of U(1)-invariant modified Korteweg-de Vries equations. II. Asymptotic behavior and constants of motion
Authors: Anco Stephen C. , Sattar Mia Abdus , Willoughby Mark R.
Published: December 2015

The Hirota equation and the Sasa-Satsuma equation are U(1)-invariant integrable generalizations of the modified Korteweg-de Vries equation. These two generalizations admit oscillatory solitons, which describe harmonically modulated complex solitary waves parameterized by their speed, modulation frequency, and phase. Depending on the modulation frequency, the speeds of oscillatory waves (1-solitons) can be positive, negative, or zero, in contrast to the strictly positive speed of ordinary solitons. When the speed is zero, an oscillatory wave is a time-periodic standing wave. Oscillatory 2-solitons with non-zero wave speeds are shown to describe overtake collisions of a fast wave and a slow wave moving in the same direction, or head-on collisions of two waves moving in opposite directions. When one wave speed is zero, oscillatory 2-solitons are shown to describe collisions in which a moving wave overtakes a standing wave. An asymptotic analysis using moving coordinates is carried out to show that, in all collisions, the speeds and modulation frequencies of the individual waves are preserved, while the phases and positions undergo a shift such that the center of momentum of the two waves moves at a constant speed. The primary constants of motion as well as some other features of the nonlinear interaction of the colliding waves are discussed.
Effects of aspect ratio and concentration on rheology of epoxy suspensions containing model plate-like nanoparticles
Authors: White K. L. , Hawkins S. , Miyamoto M. , Takahara A. , Sue H.-J.
Published: December 2015

Hexagonal 2-dimensional α-zirconium phosphate crystals were prepared with lateral diameters ranging from 110 nm to 1.5 μm to investigate the effect of particle size on suspension rheology. The nanoplatelets were exfoliated to individual sheets with monodisperse thickness and dispersed in a Newtonian epoxy fluid. The steady shear response of dilute and semi-dilute suspensions was measured and compared to expressions obtained from theory for infinitely dilute suspensions. For suspensions containing the smaller nanoplatelets, aspect ratio ∼160, the low shear rate viscosity and transition to shear thinning behavior were well described by theory for loadings up to 0.5 vol. %. The agreement was improved by assuming a moderate polydispersity in lateral diameter, ∼30%–50%, which is consistent with experimental observation. For the higher aspect ratio nanoplatelets, good agreement between theory and experiment was observed only at high shear rates. At lower shear rate, theory consistently over-predicted viscosity, which was attributed to a progressive shift to non-isotropic initial conditions with increasing particle size. The results suggest that at a fixed Peclet number, there is an increasing tendency for the nanoplatelets to form transient, local stacks as particle size increases. The largest particles, aspect ratio ∼2200, showed unusual shear thinning and thickening behaviors that were attributed to particle flexibility. The findings demonstrate the surprising utility of theory for infinitely dilute suspensions to interpret, and in some cases quantitatively describe, the non-Newtonian viscosity of real suspensions containing high aspect ratio plate-like particles. A simple framework is proposed to interpret deviations from ideal behavior based on the local and collective behavior of the suspended nanoplatelets.
Spectral enstrophy budget in a shear-less flow with turbulent/non-turbulent interface
Authors: Cimarelli Andrea , Cocconi Giacomo , Frohnapfel Bettina , De Angelis Elisabetta
Published: December 2015

A numerical analysis of the interaction between decaying shear free turbulence and quiescent fluid is performed by means of global statistical budgets of enstrophy, both, at the single-point and two point levels. The single-point enstrophy budget allows us to recognize three physically relevant layers: a bulk turbulent region, an inhomogeneous turbulent layer, and an interfacial layer. Within these layers, enstrophy is produced, transferred, and finally destroyed while leading to a propagation of the turbulent front. These processes do not only depend on the position in the flow field but are also strongly scale dependent. In order to tackle this multi-dimensional behaviour of enstrophy in the space of scales and in physical space, we analyse the spectral enstrophy budget equation. The picture consists of an inviscid spatial cascade of enstrophy from large to small scales parallel to the interface moving towards the interface. At the interface, this phenomenon breaks, leaving place to an anisotropic cascade where large scale structures exhibit only a cascade process normal to the interface thus reducing their thickness while retaining their lengths parallel to the interface. The observed behaviour could be relevant for both the theoretical and the modelling approaches to flow with interacting turbulent/nonturbulent regions. The scale properties of the turbulent propagation mechanisms highlight that the inviscid turbulent transport is a large-scale phenomenon. On the contrary, the viscous diffusion, commonly associated with small scale mechanisms, highlights a much richer physics involving small lengths, normal to the interface, but at the same time large scales, parallel to the interface.
A comparison of conservation law construction approaches for the two-dimensional incompressible Mooney-Rivlin hyperelasticity model
Authors: Cheviakov A. F. , St. Jean S.
Published: December 2015

An extended Kovalevskaya form is derived for the two-dimensional incompressible Mooney-Rivlin nonlinear hyperelasticity equations and is used to compute a complete set of local conservation laws of the model through the direct method. Conserved densities and fluxes of the conservation laws are derived, and their physical interpretation is discussed. Since the model admits a variational formulation, the equations are rewritten in the self-adjoint form. Computation of local conservation laws through the direct method applied to the self-adjoint form, as well as a conservation law computation through the local symmetry analysis and the Noether’s first theorem, is performed. A correspondence between local variational symmetries and conservation law multipliers is illustrated. It is argued that even though it leads to more complicated forms of multipliers, the direct conservation law construction method applied to the Kovalevskaya form of the equations is a preferred systematic way of conservation law computations for complicated physical models of the type considered in this work, since it yields complete results, and naturally avoids singular multipliers.
Dielectric and specific heat relaxations in vapor deposited glycerol
Authors: Kasina A. , Putzeys T. , Wübbenhorst M.
Published: December 2015

Recently [S. Capponi, S. Napolitano, and M. Wübbenhorst, Nat. Commun. 3, 1233 (2012)], vapor deposited glasses of glycerol have been found to recover their super-cooled liquid state via a metastable, ordered liquid (MROL) state characterized by a tremendously enhanced dielectric strength along with a slow-down of the relaxation rate of the structural relaxation. To study the calorimetric signature of this phenomenon, we have implemented a chip-based, differential AC calorimeter in an organic molecular beam deposition setup, which allows the simultaneous measurement of dielectric relaxations via interdigitated comb electrodes and specific heat relaxation spectra during deposition and as function of the temperature. Heating of the as-deposited glass just above the bulk Tg and subsequent cooling/reheating revealed a step-wise increase in cp by in total 9%, indicating unambiguously that glycerol, through slow vapour deposition, forms a thermodynamically stable glass, which has a specific heat as low as that of crystalline glycerol. Moreover, these glasses were found to show excellent kinetic stability as well as evidenced by both a high onset-temperature and quasi-isothermal recovery measurements at −75 °C. The second goal of the study was to elucidate the impact of the MROL state on the specific heat and its relaxation to the super-cooled state. Conversion of “MROL glycerol” to its “normal” (ordinary liquid, OL) state revealed a second, small (∼2%) increase of the glassy cp, a little gain (<10%) in the relaxed specific heat, and no signs of deviations of τcal from that of normal “bulk” glycerol. These findings altogether suggest that the MROL state in glycerol comprises largely bulk-type glycerol that coexist with a minor volume fraction (<10%) of PVD-induced structural anomalies with a crystal-like calorimetric signature. Based on the new calorimetric findings, we have proposed a new physical picture that assumes the existence of rigid polar clusters (RPCs) and conclusively explains the extraordinary high kinetic stability of the MROL state, its specific calorimetric signature, the enhanced strength, and apparent slow-down of the dielectric α-relaxation. In this new picture, the incredibly slow and strengthened dielectric response is ascribed to driven rotational diffusion of whole RPCs, a mechanism that perfectly couples to the relaxation time of the “normal” glycerol fraction. First considerations based on the strength and the retardation of the dielectric RPCs’ response yield independently a size estimate for the RPCs in the order of 4-5 nm. Finally, we have discussed possible crystallisation and reorganisation effects, which give rise to pronounced out-of phase components of the specific heat at higher temperatures.
Euler polynomials and identities for non-commutative operators
Authors: De Angelis Valerio , Vignat Christophe
Published: December 2015

Three kinds of identities involving non-commutating operators and Euler and Bernoulli polynomials are studied. The first identity, as given by Bender and Bettencourt [Phys. Rev. D 54(12), 7710-7723 (1996)], expresses the nested commutator of the Hamiltonian and momentum operators as the commutator of the momentum and the shifted Euler polynomial of the Hamiltonian. The second one, by Pain [J. Phys. A: Math. Theor. 46, 035304 (2013)], links the commutators and anti-commutators of the monomials of the position and momentum operators. The third appears in a work by Figuieira de Morisson and Fring [J. Phys. A: Math. Gen. 39, 9269 (2006)] in the context of non-Hermitian Hamiltonian systems. In each case, we provide several proofs and extensions of these identities that highlight the role of Euler and Bernoulli polynomials.
Geminal embedding scheme for optimal atomic basis set construction in correlated calculations
Authors: Sorella S. , Devaux N. , Dagrada M. , Mazzola G. , Casula M.
Published: December 2015

We introduce an efficient method to construct optimal and system adaptive basis sets for use in electronic structure and quantum Monte Carlo calculations. The method is based on an embedding scheme in which a reference atom is singled out from its environment, while the entire system (atom and environment) is described by a Slater determinant or its antisymmetrized geminal power (AGP) extension. The embedding procedure described here allows for the systematic and consistent contraction of the primitive basis set into geminal embedded orbitals (GEOs), with a dramatic reduction of the number of variational parameters necessary to represent the many-body wave function, for a chosen target accuracy. Within the variational Monte Carlo method, the Slater or AGP part is determined by a variational minimization of the energy of the whole system in presence of a flexible and accurate Jastrow factor, representing most of the dynamical electronic correlation. The resulting GEO basis set opens the way for a fully controlled optimization of many-body wave functions in electronic structure calculation of bulk materials, namely, containing a large number of electrons and atoms. We present applications on the water molecule, the volume collapse transition in cerium, and the high-pressure liquid hydrogen.
Incoherent synchrotron emission of laser-driven plasma edge
Authors: Serebryakov D. A. , Nerush E. N. , Kostyukov I. Yu.
Published: December 2015

When a relativistically intense linearly polarized laser pulse is incident on an overdense plasma, a dense electron layer is formed on the plasma edge which relativistic motion results in high harmonic generation, ion acceleration, and incoherent synchrotron emission of gamma-photons. Here we present a self-consistent analytical model that describes the edge motion and apply it to the problem of incoherent synchrotron emission by ultrarelativistic plasma electrons. The model takes into account both coherent radiation reaction from high harmonics and incoherent radiation reaction in the Landau–Lifshitz form. The analytical results are in agreement with 3D particle-in-cell simulations in a certain parameter region that corresponds to the relativistic electronic spring interaction regime.
The pure rotational spectra of the open-shell diatomic molecules PbI and SnI
Authors: Evans Corey J. , Needham Lisa-Maria E. , Walker Nicholas R. , Köckert Hansjochen , Zaleski Daniel P. , Stephens Susanna L.
Published: December 2015

Pure rotational spectra of the ground electronic states of lead monoiodide and tin monoiodide have been measured using a chirped pulsed Fourier transform microwave spectrometer over the 7-18.5 GHz region for the first time. Each of PbI and SnI has a X 2Π1/2 ground electronic state and may have a hyperfine structure that aids the determination of the electron electric dipole moment. For each species, pure rotational transitions of a number of different isotopologues and their excited vibrational states have been assigned and fitted. A multi-isotopologue Dunham-type analysis was carried out on both species producing values for Y01, Y02, Y11, and Y21, along with Λ-doubling constants, magnetic hyperfine constants and nuclear quadrupole coupling constants. The Born-Oppenheimer breakdown parameters for Pb have been evaluated and the parameter rationalized in terms of finite nuclear field effects. Analysis of the bond lengths and hyperfine interaction indicates that the bonding in both PbI and SnI is ionic in nature. Equilibrium bond lengths have been evaluated for both species.
Contact- and distance-based principal component analysis of protein dynamics
Authors: Ernst Matthias , Sittel Florian , Stock Gerhard
Published: December 2015

To interpret molecular dynamics simulations of complex systems, systematic dimensionality reduction methods such as principal component analysis (PCA) represent a well-established and popular approach. Apart from Cartesian coordinates, internal coordinates, e.g., backbone dihedral angles or various kinds of distances, may be used as input data in a PCA. Adopting two well-known model problems, folding of villin headpiece and the functional dynamics of BPTI, a systematic study of PCA using distance-based measures is presented which employs distances between Cα-atoms as well as distances between inter-residue contacts including side chains. While this approach seems prohibitive for larger systems due to the quadratic scaling of the number of distances with the size of the molecule, it is shown that it is sufficient (and sometimes even better) to include only relatively few selected distances in the analysis. The quality of the PCA is assessed by considering the resolution of the resulting free energy landscape (to identify metastable conformational states and barriers) and the decay behavior of the corresponding autocorrelation functions (to test the time scale separation of the PCA). By comparing results obtained with distance-based, dihedral angle, and Cartesian coordinates, the study shows that the choice of input variables may drastically influence the outcome of a PCA.
A self-adjustable four-point probing system using polymeric three dimensional coils and non-toxic liquid metal
Authors: Oyunbaatar Nomin-Erdene , Choi Young Soo , Lee Dong-Weon
Published: December 2015

This paper describes a self-adjustable four-point probe (S4PP) system with a square configuration. The S4PP system consists of 3D polymer coil springs for the independent operation of each tungsten (W) probe, microfluidic channels filled with a nontoxic liquid metal, and a LabView-based control system. The 3D coil springs made by PMMA are fabricated with a 3D printer and are positioned in a small container filled with the non-toxic liquid metal. This unique configuration allows independent self-adjustment of the probe heights for precise measurements of the electrical properties of both flexible and large-step-height microsamples. The feasibility of the fabricated S4PP system is evaluated by measuring the specific resistance of Cr and Au thin films deposited on silicon wafers. The system is then employed to evaluate the electrical properties of a Au thin film deposited onto a flexible and easily breakable silicon diaphragm (spring constant: ∼3.6 × 10−5 N/m). The resistance of the Cr thin films (thickness: 450 nm) with step heights of 60 and 90 μm is also successfully characterized. These experimental results indicate that the proposed S4PP system can be applied to common metals and semiconductors as well as flexible and large-step-height samples.
Thickness, humidity, and polarization dependent ferroelectric switching and conductivity in Mg doped lithium niobate
Authors: Neumayer Sabine M. , Strelcov Evgheni , Manzo Michele , Gallo Katia , Kravchenko Ivan I. , Kholkin Andrei L. , Kalinin Sergei V. , Rodriguez Brian J.
Published: December 2015

Mg doped lithium niobate (Mg:LN) exhibits several advantages over undoped LN such as resistance to photorefraction, lower coercive fields, and p-type conductivity that is particularly pronounced at domain walls and opens up a range of applications, e.g., in domain wall electronics. Engineering of precise domain patterns necessitates well founded knowledge of switching kinetics, which can differ significantly from that of undoped LN. In this work, the role of humidity and sample composition in polarization reversal has been investigated under application of the same voltage waveform. Control over domain sizes has been achieved by varying the sample thickness and initial polarization as well as atmospheric conditions. In addition, local introduction of proton exchanged phases allows for inhibition of domain nucleation or destabilization, which can be utilized to modify domain patterns. Polarization dependent current flow, attributed to charged domain walls and band bending, demonstrates the rectifying ability of Mg:LN in combination with suitable metal electrodes that allow for further tailoring of conductivity.
Titanium nitride as a seed layer for Heusler compounds
Authors: Niesen Alessia , Glas Manuel , Ludwig Jana , Schmalhorst Jan-Michael , Sahoo Roshnee , Ebke Daniel , Arenholz Elke , Reiss Günter
Published: December 2015

Titanium nitride (TiN) shows low resistivity at room temperature (27 μΩ cm), high thermal stability and thus has the potential to serve as seed layer in magnetic tunnel junctions. High quality TiN thin films with regard to the crystallographic and electrical properties were grown and characterized by x-ray diffraction and 4-terminal transport measurements. Element specific x-ray absorption spectroscopy revealed pure TiN inside the thin films. To investigate the influence of a TiN seed layer on a ferro(i)magnetic bottom electrode in magnetic tunnel junctions, an out-of-plane magnetized Mn2.45Ga as well as in- and out-of-plane magnetized Co2FeAl thin films were deposited on a TiN buffer, respectively. The magnetic properties were investigated using a superconducting quantum interference device and anomalous Hall effect for Mn2.45Ga. Magneto optical Kerr effect measurements were carried out to investigate the magnetic properties of Co2FeAl. TiN buffered Mn2.45Ga thin films showed higher coercivity and squareness ratio compared to unbuffered samples. The Heusler compound Co2FeAl showed already good crystallinity when grown at room temperature on a TiN seed-layer.
Monte Carlo simulation of elongating metallic nanowires in the presence of surfactants
Authors: Gimenez M. Cecilia , Reinaudi Luis , Leiva Ezequiel P. M.
Published: December 2015

Nanowires of different metals undergoing elongation were studied by means of canonical Monte Carlo simulations and the embedded atom method representing the interatomic potentials. The presence of a surfactant medium was emulated by the introduction of an additional stabilization energy, represented by a parameter Q. Several values of the parameter Q and temperatures were analyzed. In general, it was observed for all studied metals that, as Q increases, there is a greater elongation before the nanowire breaks. In the case of silver, linear monatomic chains several atoms long formed at intermediate values of Q and low temperatures. Similar observations were made for the case of silver-gold alloys when the medium interacted selectively with Ag.
Establishing resolution-improved NMR spectroscopy in high magnetic fields with unknown spatiotemporal variations
Authors: Zhang Zhiyong , Smith Pieter E. S. , Cai Shuhui , Zheng Zhenyao , Lin Yulan , Chen Zhong
Published: December 2015

A half-century quest for higher magnetic fields has been an integral part of the progress undergone in the Nuclear Magnetic Resonance (NMR) study of materials’ structure and dynamics. Because 2D NMR relies on systematic changes in coherences’ phases as a function of an encoding time varied over a series of independent experiments, it generally cannot be applied in temporally unstable fields. This precludes most NMR methods from being used to characterize samples situated in hybrid or resistive magnets that are capable of achieving extremely high magnetic field strength. Recently, “ultrafast” NMR has been developed into an effective and widely applicable methodology enabling the acquisition of a multidimensional NMR spectrum in a single scan; it can therefore be used to partially mitigate the effects of temporally varying magnetic fields. Nevertheless, the strong interference of fluctuating fields with the spatial encoding of ultrafast NMR still severely restricts measurement sensitivity and resolution. Here, we introduce a strategy for obtaining high resolution NMR spectra that exploits the immunity of intermolecular zero-quantum coherences (iZQCs) to field instabilities and inhomogeneities. The spatial encoding of iZQCs is combined with a J-modulated detection scheme that removes the influence of arbitrary field inhomogeneities during acquisition. This new method can acquire high-resolution one-dimensional NMR spectra in large inhomogeneous and fluctuating fields, and it is tested with fields experimentally modeled to mimic those of resistive and resistive-superconducting hybrid magnets.
Full information acquisition in piezoresponse force microscopy
Authors: Somnath Suhas , Belianinov Alexei , Kalinin Sergei V. , Jesse Stephen
Published: December 2015

The information flow from the tip-surface junction to the detector electronics during the piezoresponse force microscopy (PFM) imaging is explored using the recently developed general mode (G-mode) detection. Information-theory analysis suggests that G-mode PFM in the non-switching regime, close to the first resonance mode, contains a relatively small (100–150) number of components containing significant information. The first two primary components are similar to classical PFM images, suggesting that classical lock-in detection schemes provide high veracity information in this case. At the same time, a number of transient components exhibit contrast associated with surface topography, suggesting pathway to separate the two. The number of significant components increases considerably in the non-linear and switching regimes and approaching cantilever resonances, precluding the use of classical lock-in detection and necessitating the use of band excitation or G-mode detection schemes. The future prospects of full information imaging in scanning probe microscopy are discussed.