bluuebunny/crossref_metadata_2025 huggingface dataset:
First Component of Complement and Thrombosis
Authors: Wautier J L , Ollier-Hartmann M P , Kadeva H , Cohen F , Hartmann L , Caen J P
Published: July 2018

The previous demonstration of an association between the collagen-like region of Clq (subcomponent of the first component of complement) and human platelets and of the inhibitory properties of C1q on platelet adhesion and aggregation to or by collagen has led us to consider the first component of complement as a possible modulator of the platelet-collagen interaction. Since collagen represents a major component of the vessel wall, the modification of Cl could play a role in the development of thrombosis.

We have therefore studied two patients with abnormalities of complement (low or undetectable C1, C4, C2 and deficiency in C1 inhibitor) who presented with acquired angioneurotic oedema. Both patients had a history of multiple episodes of arterial and/or venous thrombosis.

Platelet associated C1q was decreased or undetectable, and this condition was associated with a specific increase of collagen induced aggregation thereby suggesting a possible mechanism for the recurrent thromboembolic episodes.
Modulation of Platelet Activation by Native DNA – Initial Description of Platelet Receptor Type, Number and Discrimination for Native DNA
Authors: Fiedel B A , Frenzke M E
Published: July 2018

Native DNA (dsDNA) induces the aggregation of isolated human platelets. Using isotopically labeled dsDNA (125I-dsDNA) and Scatchard analysis, a single class of platelet receptor was detected with a KD = 190 pM and numbering ~275/platelet. This receptor was discriminatory in that heat denatured dsDNA, poly A, poly C, poly C · I and poly C · poly I failed to substantially inhibit either the platelet binding of, or platelet aggregation induced by, dsDNA; by themselves, these polynucleotides were ineffective as platelet agonists. However, poly G, poly I and poly G · I effectively and competitively inhibited platelet binding of the radioligand, independently activated the platelet and when used at a sub-activating concentration decreased the extent of dsDNA stimulated platelet aggregation. These data depict a receptor on human platelets for dsDNA and perhaps certain additional polynucleotides and relate receptor-ligand interactions to a physiologic platelet function.
Indices of Fibrinogen Proteolysis and Platelet Activation During the Resolution of Pulmonary Embolism
Authors: Yudelman I
Published: July 2018

Indices of fibrinogen cleavage by thrombin (fibrinopeptide A, FPA); by plasmin (BB1-42 and serum FDP); of the platelet release reaction (betathromboglobulin and platelet factor 4); and antithrombin III (AT III) levels were measured serially in 46 patients with pulmonary emboli in whom either substantial (SR) or impaired (IR) resolution was documented. The mean FPA level in the 25 patients with IR was significantly higher than the level in the 21 patients with SR (p <0.01). The increased thrombin activity in the IR group was not due to AT III deficiency or increased platelet reactivity but the elevated FPA levels in the presence of therapeutic levels of anticoagulation indicated that the dose of heparin was inadequate. The higher BB1-42 and FDP levels in this group reflected the increased plasmin activity that follows increased thrombin activity. In a multivariate discriminant analysis, only the FPA data could be used to predict the degree of resolution.

Increased thrombin action impairs resolution presumably by producing greater amounts of accreted fibrin on the impacted embolus.
Treatment of Hereditary Protein C Deficiency with Stanozolol
Authors: Broekmans A W , Conard J , van Weyenberg R G , Horellou M H , Kluft C , Bertina R M
Published: July 2018

Five type I protein C deficient male patients received 5 mg stanozolol b.i.d. during 4 weeks. After four weeks of treatment plasma protein C activity increased from 0.42 to 0.74 U/ml and protein C antigen from 0.49 to 0.75 U/ml. This approximately 1.6 fold increase in plasma protein C was accompanied by an increase in factor II antigen (1.5 fold), factor V activity (1.6 fold), factor X antigen (1.1 fold), antithrombin III antigen (1.3 fold) and heparin cofactor II antigen (1.5 fold), while the concentration of factor VII, factor VIII, and factor IX activity, and of protein S antigen remained unchanged. Prothrombin fragment F1+2, measured in two patients, increased 1.3 fold. In addition to its effect on procoagulant and anticoagulant factors stanozolol had profibrinolytic effects, reflected in an increase in tPA activity and in the concentration of plasminogen. These data indicate that in type I protein C deficient patients stanozolol increases the concentrations of both procoagulant and anticoagulant factors and favours fibrinolysis. The efficacy of stanozolol in preventing thrombotic disease in type I protein C deficient patients, however, remains to be established. During the four weeks of stanozolol treatment no thrombotic manifestations were observed in the protein C deficient patients.
Immunological Relationship Between Plasminogen Activator Inhibitors from Different Sources
Authors: Urdén Göran , Chmielewska Joanna , Carlsson Tomas , Wiman Björn
Published: July 2018

Polyclonal antibodies have been raised against the inhibitor moiety in the purified complex between tissue plasminogen activator and its fast inhibitor (PA-inhibitor) in human plasma/ serum. A radioimmunoassay for quantitation of PA-inhibitor antigen was developed. The polyclonal antiserum and a previously described monoclonal antibody against the PA-inhibitor (14) have been used to study the immunological relationship between PA-inhibitors from plasma, serum, platelets, placenta extract and conditioned media from Hep G2 and HT 1080 cells. It was demonstrated that the ratio between PA-inhibitor activity and antigen varied considerably between the different sources. In the plasma samples studied, similar activity and antigen concentrations were found, suggesting that the PA-inhibitor in these samples mainly was in an active form. On the other hand the other sources seemed to contain variable amounts of inactive PA-inhibitor forms. Immunoadsorption experiments revealed that the PA-inhibitor (activity and antigen) from all the sources were specifically bound to the insolubilized antibodies (polyclonal and monoclonal). In no case, however, could active PA-inhibitor be eluted from the immunoadsorption columns. Also the competitive radioimmunoassays suggested that the PA-inhibitors from the different sources studied, were closely immunologically related.
Measurement of Crosslinked Fibrin Derivatives -Use in the Diagnosis of Venous Thrombosis
Authors: Rowbotham Beverley J , Carroll Patrick , Whitaker Alan N , Bunce Ian H , Cobcroft Ralph G , Elms Mervyn J , Masci Paul P , Bundesen Peter G , Rylatt Denis B , Webber Anthony J
Published: July 2018

The measurement of crosslinked fibrin derivatives in plasma has received evaluation as a screening test in the diagnosis of venous thrombosis. Plasma samples were taken from 104 patients undergoing venography because of clinical suspicion of lower limb venous thrombosis. The samples were assayed using a monoclonal antibody identifying an epitope on D dimer and larger crosslinked fibrin derivatives in an enzyme immunoassay. 100% of patients with positive venograms had elevated levels of these molecules. While a percentage of patients with negative venograms also had increased levels, alternative clinical explanations were apparent in most. A normal D dimer value excludes the diagnosis of venous thrombosis, while an increased value supports it. The measurement of crosslinked fibrin derivatives in plasma may play a role in the selection of patients for venography.
Zinc Alters Fibrin Ultrastructure
Authors: Marx Gerard , Hopmeier Pierre , Gurfel Dorit
Published: July 2018

Turbidimetric studies indicate that Zn(II) accelerates fibrin gelation [decreases clotting time (CT)] and increases maximal fibrin clot turbidity. For any given level of fibrinogen (0.2-2.6 mg/ ml), the relative fibrin turbidity of thrombin-induced clots increases with Zn(II) in a concentration dependent manner. Zinc-associated turbidity increases are also observed in the presence of 2 mM Ca(II). With citrate, similar turbidity increases are observed, though at higher cation levels. Thus, turbidimetry indicates that the gel formed with Zn(II) is coarser, or has thicker fibre strands. SEM micrographs confirm that fibre thickness ranges from 260 Å to 2600 Å, when Zn(II) levels range from 0-50 uM. With citrate, TEM micrographs reveal amore than 20 x fold increase in fibre diameter (100 Å->2000 Å) with higher Zn(II) (<1 mM) levels. Based on a fibrin monomer cross-section of ~60 Å, the electron micrographs indicate that depending on the Zn(II) levels, fibrin strands are composed of between 2 to 40 monomeric fibrin molecules. Thus, at physiologically relevant levels, Zn(II) can drastically modulate fibrin ultrastructure.
An International Collaborative Study on the Performance of Protein C Antigen Assays
Authors: Bertina R M
Published: July 2018

An international collaborative study was undertaken to evaluate the performance and specificity of protein C antigen (PC) assays. Thirteen lyophilized plasma samples were distributed among 17 laboratories and analysed with 24 methods. No statistically significant results were obtained with the different methods in plasmas containing only the protein C zymogen. ELISA’s, RIA’s and IRMA’s were found to be more sensitive than the electro-immunoassay. In plasmas of patients on oral anticoagulant treatment ELISA methods tend to give lower PC antigen levels than the electro-immunoassay. Complexes between activated protein C (APC) and the protein C inhibitor (PCI), when present in plasma together with PC zymogen, are detected with 100% efficiency in the electro-immunoassay, with 50% efficiency in the ELISA, and with <10% efficiency in the RIA or in assays using monoclonal antibodies against PC.

Mean coefficient of variation was calculated to be 22%, and could be reduced - especially in case of the ELISA by normalisation. Within laboratory variation was calculated to be 11.7% and between laboratory variation 17.8%.
Fibrinogen Vicenza and Genova II: Two New Cases of Congenital Dysfibrinogenemia with Isolated Defect of Fibrin Monomer Polymerization and Inhibitory Activity on Normal Coagulation
Authors: Rodeghiero F , Castaman G C , Peruffo A Dal Belin , Dini E , Galletti A , Barone E , Gastaldi G
Published: July 2018

Two new cases of congenital dysfibrinogenemia are presented in which defective fibrin monomer polymerization and inhibitory activity on normal coagulation were observed. They have been tentatively called fibrinogen Vicenza and Genova II. The first was discovered in a family with mild bleeding diathesis, the second in an asymptomatic family. In almost all reported cases of fibrinogens with defective fibrin monomer polymerization, additional functional or structural defects have been detected. In our cases, on the contrary, detailed investigations failed to show any other abnormality. Fibrinogen Genova II is apparently identical to fibrinogen Baltimore IV, whereas fibrinogen Vicenza is similar to fibrinogen Tloyes and Genovz I, but also exerts an evident inhibitory activity on normal coagulation and differs from fibrinogen Genova II and Baltimore IV showing a different kinetic pattern of fibrin monomer polymerization.
Effect of Omega-3 Fatty Acid Supplementation on Platelet Aggregability and Platelet Produced Thromboxane
Authors: Salonen Riitta , Nikkari Tapio , Seppänen Kari , Venäläinen Juha M , Ihanainen Merja , Rissanen Viljo , Rauramaa Rainer , Salonen Jukka T
Published: July 2018

We investigated the sustained effect of 12-week supplementation of 2.880 g/day of omega-3 fatty acids on platelet aggregability, platelet produced thromboxane B2 concentration and serum fatty acid composition in a double-blind controlled trial in 44 healthy mildly overweight eastern Finnish men recruited from a representative population sample. The supplementation was discontinued seven days before the biochemical measurements. Body weight, alcohol consumption and dietary composition remained constant during the study. Even though the percentage of eicosapentaenoic acid (20:5ω3) in total serum lipids increased by 37% (p <0.01) and that of dihomo-gamma-linolenic acid (20:3ω6) decreased by 18% (p <0.01) more in the omega-3 supplemented than placebo group during supplementation, there were no significant differences in the changes in either the ADP induced platelet aggregation or in vitro platelet produced thromboxane B2 concentration between the groups. These data suggest that omega-3 fatty acids have no detectable sustained effect either on ADP induced platelet aggregation or on thromboxane produced by the platelets in vitro.
Characterisation of a Monoclonal Antibody to von Willebrand Factor as a Potent Inhibitor of Ristocetin-Mediated Platelet Interaction and Platelet Adhesion
Authors: Jorieux Sylvie , de Romeuf Christophe , Samor Bruno , Goudemand Maurice , Mazurier Claudine
Published: July 2018

We studied a murine monoclonal antibody (211 A6) to von Willebrand factor (vWF) with a view to investigating structure-relationship. of plasma vWF. The specificity of this antibody has been substantiated by ELISA tests and indirect immunofluorescence. It reacts with purified vWF, normal plasma but not with plasma or platelets from a severe von Willebrand’s disease patient. Monoclonal antibody 211 A6 is a potent inhibitor of ristocetin-induced platelet aggregation. The 125I-FVIII/vWF binding to platelets in presence of ristocetin is totally inhibited by low 211 A6 concentrations. Thrombin-induced binding of vWF to platelets is not affected by 211 A6. The ability of this antibody to inhibit platelet adhesion to subendothelium and to collagen was investigated with a perfusion model. The complete inhibition of platelet adhesion by 211 A6 questions the similarity or the interrelationship in vWF domains involved in ristocetin-induced platelet functions and platelet adhesion.
Fibrinogen Haifa: Fibrinogen Variant with Absence of Protective Effect of Calcium on Plasmin Degradation of Gamma Chains
Authors: Soria J , Soria C , Samama M , Tabori S , Kehl M , Henschen A , Nieuwenhuizen W , Rimon A , Tatarski I
Published: July 2018

The abnormal fibrinogen Haifa is characterized by the fact that calcium present during enzymatic digestion by plasmin does not protect the Haifa D gamma chain against further plasmin attack as it does in normal molecules.

Since calcium binding to fibrinogen, ADP - platelet aggregation cofactor activity and gamma dimerization process induced by factor XIIIa are normal for fibrinogen Haifa, the corresponding sequences in the gamma chain are not involved. It seems rather that the anomaly resides near the gamma 302 plasmin cleavage site that is protected when calcium is bound to the gamma chain and that this affects the availability of the polymerization site located in the C terminal part of the chain.
The Development and Characterisation of Antibodies to Human Factor VIII in Haemophilic Dogs
Authors: Littlewood Janet D , Barrowcliffe T W
Published: July 2018

Four haemophilic dogs received infusions of human factor VIII concentrates, and developed inhibitors to human F VIII. These inhibitors cross-reacted with canine F VIII with parallel increases and decreases in titre. Cross-reaction was also found to porcine F VIII but changes in titre did not correlate with anti-human and anti-canine titres. These inhibitors were found to be immunoglobulins, and antibodies were detected against other proteins found in concentrates. Kinetic studies showed that in all four dogs the F VIII inhibitors were Type II antibodies. One of the dogs behaved as a “high-responder”, whilst another was more analogous to a “low-responder” patient. Phospholipid protection experiments in vitro demonstrated that some antibodies could be prevented from inhibiting F VIII, and porcine F VIII was particularly well protected against inhibition.
Complications of Acute Bacterial Rhinosinusitis in the Pediatric Population
Authors: Baumanis Maraya , Honsinger Kristen , Elmaraghy Charles , Jatana Kris
Published: July 2018

Acute complicated sinusitis can occur in children and can lead to significant morbidity and mortality. While medical management is critical, it is important to provide multi-disciplinary care to involve surgical specialists. Since intracranial and extracranial complications can result from acute sinusitis, active communication among all these specialists is paramount to achieve the best patient outcomes. Children with these conditions are best managed at centers where appropriate pediatric medical and surgical subspecialty care is available.
Normogram of Middle Cerebral Artery Doppler Indexes and Cerebroplacental Ratio at 12 to 14 Weeks in an Unselected Pregnancy Population
Authors: Ziade M. , Ghosn Ibrahim , Helou Nabil , Abu-Rustum Reem
Published: July 2018

Objective The aim of this study is to assess the feasibility of visualizing the middle cerebral artery (MCA), establishing the normogram for MCA pulsatility index (PI) and peak systolic velocity (PSV), and calculating cerebroplacental ratio (CPR) at 12 to 14 weeks.

Study Design Prospective cross-sectional study on 186 gravidas presenting for nuchal translucency (NT) assessment. Maternal body mass index (BMI), fetal crown-rump length (CRL), biparietal diameter (BPD), and NT were obtained. Color Doppler was utilized to visualize the MCA and measure PI, PSV, and umbilical artery PI. Normograms for MCA PI and PSV, and for CPR, were constructed. Regression analysis was used for the reference range of MCA PI and CPR according to CRL and BPD. Chi-square and t-test were utilized. p-Value of < 0.05 was considered significant.

Results MCA was successfully visualized in 176/186 (94.6%), PI and PSV measured on 148/186 (79.6%) and 145/186 (78.0%), respectively, and CPR calculated in 133/186 (71.5%). There was no significant effect of BMI, CRL, or BPD on successful assessment of MCA or CPR. Normograms for MCA PI and CPR revealed no significant relation with CRL or BPD.

Conclusion MCA and CPR assessment is feasible at 12 to 14 weeks. A reference range for MCA Doppler indexes and CPR at 12 to 14 weeks has been established. This may prove helpful in the early evaluation of fetuses identified as at-risk for adverse neonatal outcome.
Complex networks for tracking extreme rainfall during typhoons
Authors: Ozturk U. , Marwan N. , Korup O. , Saito H. , Agarwal A. , Grossman M. J. , Zaiki M. , Kurths J.
Published: July 2018

Reconciling the paths of extreme rainfall with those of typhoons remains difficult despite advanced forecasting techniques. We use complex networks defined by a nonlinear synchronization measure termed event synchronization to track extreme rainfall over the Japanese islands. Directed networks objectively record patterns of heavy rain brought by frontal storms and typhoons but mask out contributions of local convective storms. We propose a radial rank method to show that paths of extreme rainfall in the typhoon season (August-November, ASON) follow the overall southwest-northeast motion of typhoons and mean rainfall gradient of Japan. The associated eye-of-the-typhoon tracks deviate notably and may thus distort estimates of heavy typhoon rainfall. We mainly found that the lower spread of rainfall tracks in ASON may enable better hindcasting than for westerly-fed frontal storms in June and July.
Transient and equilibrium causal effects in coupled oscillators
Authors: Smirnov Dmitry A.
Published: July 2018

Two quite different types of causal effects are given by (i) changes in near future states of a driven system under changes in a current state of a driving system and (ii) changes in statistical characteristics of a driven system dynamics under changes in coupling parameters, e.g., under switching the coupling off. The former can be called transient causal effects and can be estimated from a time series within the well established framework of the Wiener–Granger causality, while the latter represent equilibrium (or stationary) causal effects which are often most interesting but generally inaccessible to estimation from an observed time series recorded at fixed coupling parameters. In this work, relationships between the two kinds of causal effects are found for unidirectionally coupled stochastic linear oscillators depending on their frequencies and damping factors. Approximate closed-form expressions for these relationships are derived. Their limitations and possible extensions are discussed, and their practical applicability to extracting equilibrium causal effects from time series is argued.
Temperature effects on optical properties and efficiency of red AlGaInP-based light emitting diodes under high current pulse pumping
Authors: Yadav Amit , Titkov Ilya E. , Sokolovskii Grigorii S. , Karpov Sergey Yu. , Dudelev Vladislav V. , Soboleva Ksenya K. , Strassburg Martin , Pietzonka Ines , Lugauer Hans-Juergen , Rafailov Edik U.
Published: July 2018

In this paper, current-dependent emission spectra and efficiency measured on the same AlGaInP red light-emitting diode (LED) pumped with the current pulses of very different durations are recorded. This enabled for the first time distinguishing between high-carrier concentration and self-heating effects on the efficiency decline at high current magnitudes. The electron leakage to the p-side of the LED structure, which is the major mechanism of the efficiency reduction, is found to rise substantially when the device self-heating starts to develop. As a result, in comparison to continuous-wave excitation, driving the LED with sub-microsecond current pulses allows suppressing the device self-heating and, eventually, increasing the operating current by an order of magnitude without noticeable efficiency losses. Based on the reduced ABC-model, neglecting Auger recombination, the light extraction efficiency, injection efficiency, and internal quantum efficiency of the LED are estimated, suggesting light extraction to be the most critical factor for the overall efficiency of the LED. The coupled spectral/power LED characterization using the variable-duration current pulse pumping is found to be an effective approach for analyzing mechanisms of the device operation.
Tuning the optical and electrical properties of MoS2 by selective Ag photo-reduction
Authors: Kim Eunpa , Lee Yoonkyung , Ko Changhyun , Park Yunjeong , Yeo Junyeob , Chen Yabin , Choe Hwan Sung , Allen Frances I. , Rho Junsuk , Tongay Sefaattin , Wu Junqiao , Kim Kyunghoon , Grigoropoulos Costas P.
Published: July 2018

Two-dimensional transition metal dichalcogenides have demonstrated potential for advanced electrical and optoelectronic applications. For these applications, it is necessary to modify their electrical or optoelectronic properties. Doping is one of the most prevalent techniques to modify the band structure of semiconductor materials. Herein, we report the p-type doping effect on few-layer and multi-layer MoS2 that are selectively decorated with Ag nanoparticles via laser-assisted direct photoexcitation of MoS2 exposed in AgNO3 solution. This method can control the doping level by varying the duration of the laser irradiation, which is confirmed by the observed gradual rise of MoS2 device channel resistance and photoluminescence spectra enhancement. This study demonstrated a simple, controllable, and selective doping technique using laser-assisted photo-reduction.
Development of effective stochastic potential method using random matrix theory for efficient conformational sampling of semiconductor nanoparticles at non-zero temperatures
Authors: Scher Jeremy A. , Bayne Michael G. , Srihari Amogh , Nangia Shikha , Chakraborty Arindam
Published: July 2018

The relationship between structure and property is central to chemistry and enables the understanding of chemical phenomena and processes. Need for an efficient conformational sampling of chemical systems arises from the presence of solvents and the existence of non-zero temperatures. However, conformational sampling of structures to compute molecular quantum mechanical properties is computationally expensive because a large number of electronic structure calculations are required. In this work, the development and implementation of the effective stochastic potential (ESP) method is presented to perform efficient conformational sampling of molecules. The overarching goal of this work is to alleviate the computational bottleneck associated with performing a large number of electronic structure calculations required for conformational sampling. We introduce the concept of a deformation potential and demonstrate its existence by the proof-by-construction approach. A statistical description of the fluctuations in the deformation potential due to non-zero temperature was obtained using infinite-order moment expansion of the distribution. The formal mathematical definition of the ESP was derived using the functional minimization approach to match the infinite-order moment expansion for the deformation potential. Practical implementation of the ESP was obtained using the random-matrix theory method. The developed method was applied to two proof-of-concept calculations of the distribution of HOMO-LUMO gaps in water molecules and solvated CdSe clusters at 300 K. The need for large sample size to obtain statistically meaningful results was demonstrated by performing 105 ESP calculations. The results from these prototype calculations demonstrated the efficacy of the ESP method for performing efficient conformational sampling. We envision that the fundamental nature of this work will not only extend our knowledge of chemical systems at non-zero temperatures but also generate new insights for innovative technological applications.
Polyelectrolyte complex coacervation: Effects of concentration asymmetry
Authors: Zhang Pengfei , Alsaifi Nayef M. , Wu Jianzhong , Wang Zhen-Gang
Published: July 2018

Using a simple liquid-state theory, we study the phase behaviors of concentration-asymmetric mixtures of polycation and polyanion solutions. We construct a three-dimensional (3D) phase diagram in terms of the concentrations of the three independent charged components: polycation, polyanion, and small cation (ρp+−ρp−−ρ+), for a given Bjerrum length. This phase diagram yields rich and complex phase-separation scenarios. To illustrate, we sequentially examine the following three systems that are directly relevant to experiments: a symmetric mixture, an asymmetric mixture with one type of small ions, and an asymmetric mixture with both types of small ions. We re-express the information in the 3D phase diagram using three experimentally more easily controllable parameters—the asymmetry factor r, the initial extra-salt concentration ρs,0, and the initial polyelectrolyte (PE) concentration ρp,0 of both solutions prior to mixing. We construct three reduced phase diagrams in the ρp,0−r, r−ρs,0, and ρs,0−ρp,0 planes, respectively, and examine the evolution of the volume fraction of the coexisting phases, concentration of the PE and small-ion species in each phase, and the Galvani potential ΨG, as functions of these experimental controlling parameters. We rationalize our findings in terms of the key thermodynamic factors, namely, the translational entropy of the small ions, the electrostatic correlation energy, and the requirement for charge neutrality.
Control of thermal boundary resistance by increasing Ge ratio in nanocomposite with MnSi1.7 and SiGe
Authors: Kurosaki Y. , Yabuuchi S. , Nishide A. , Fukatani N. , Hayakawa J.
Published: July 2018

Thermal boundary resistance (TBR) was controlled by changing the Ge ratio in a MnSi1.7-based nanocomposite with SiGe to investigate the effects of TBR on thermal transport. We demonstrated a continuous reduction of thermal conductivity with the Ge ratio down to 1.2 W/Km, which is less than the minimum thermal conductivity of MnSi1.7, even in granular structures: practical forms of thermoelectric (TE) technologies. The TBR between MnSi1.7 and SiGe was estimated quantitatively in multilayered structures to be as high as 5.6 × 10−9 m2 K/W and a detailed analysis suggests that 20%–30% of the thermal conductivity reduction is attributed to the TBR in granular structures. Our results shed light on the importance of controlling TBR in TE material design towards a widespread use of TE technologies, instead of utilizing rare materials or uneconomical nanostructures.
Large-scale relativistic complete active space self-consistent field with robust convergence
Authors: Reynolds Ryan D. , Yanai Takeshi , Shiozaki Toru
Published: July 2018

We report an efficient algorithm using density fitting for the relativistic complete active space self-consistent field (CASSCF) method, which is significantly more stable than the algorithm previously reported by one of the authors [J. E. Bates and T. Shiozaki, J. Chem. Phys. 142, 044112 (2015)]. Our algorithm is based on the second-order orbital update scheme with an iterative augmented Hessian procedure, in which the density-fitted orbital Hessian is directly contracted to the trial vectors. Using this scheme, each microiteration is made less time consuming than one Dirac–Hartree–Fock iteration, and macroiterations converge quadratically. In addition, we show that the CASSCF calculations with the Gaunt and full Breit interactions can be efficiently performed by means of approximate orbital Hessians computed with the Dirac–Coulomb Hamiltonian. It is demonstrated that our algorithm can also be applied to systems under an external magnetic field, for which all of the molecular integrals are computed using gauge-including atomic orbitals.
Addressing hysteresis and slow equilibration issues in cavity-based calculation of chemical potentials
Authors: Wand C. R. , Totton T. S. , Frenkel D.
Published: July 2018

In this paper, we explore the strengths and weaknesses of a cavity-based method to calculate the excess chemical potential of a large molecular solute in a dense liquid solvent. Use of the cavity alleviates some technical problems associated with the appearance of (integrable) divergences in the integrand during alchemical particle growth. The excess chemical potential calculated using the cavity-based method should be independent of the cavity attributes. However, the performance of the method (equilibration time and the robustness) does depend on the cavity attributes. To illustrate the importance of a suitable choice of the cavity attributes, we calculate the partition coefficient of pyrene in toluene and heptane using a coarse-grained model. We find that a poor choice for the functional form of the cavity may lead to hysteresis between growth and shrinkage of the cavity. Somewhat unexpectedly, we find that, by allowing the cavity to move as a pseudo-particle within the simulation box, the decay time of fluctuations in the integrand of the thermodynamic integration can be reduced by an order of magnitude, thereby increasing the statistical accuracy of the calculation.
Shaping single atomic junctions in ultra-thin Ag structures by electromigration
Authors: Chatterjee A. , Heidenblut T. , Edler F. , Olsen E. , Stöckmann J. P. , Tegenkamp C. , Pfnür H.
Published: July 2018

By characterizing and manipulating the conductive properties of single Ag nano-grain boundaries with electromigration—originally considered only as a detrimental effect for metallic nanostructures—we show that atomic point contacts can be generated at well-defined locations with extreme reliability in ultra-thin (5 nm) and ultra-small (minimum width 16 nm) Ag nanostructures, deposited on hydrogen terminated low-doped Si(100) samples. Single contacts were always obtained once the smallest constriction of the structures was below the average grain size of the Ag films and competing thermal migration was suppressed. These ultra-thin and laterally open structures on Si provide complete accessibility for local characterisation of the molecular junction.
Bullets and droplets: Two-dimensional spin-wave solitons in modern magnonics (Review Article)
Authors: Sulymenko O. R. , Prokopenko O. V. , Tyberkevych V. S. , Slavin A. N. , Serga A. A.
Published: July 2018

In this review, we consider theoretical and experimental results related to the properties of two-dimensional spin-wave (SW) solitons, so-called SW bullets and SW droplets. Such nonlinear self-localized SW modes possess very interesting physical properties, and could have practical applications in modern and future magnonics and spintronics. The experimental and theoretical results presented in this review have undeniably proven the existence of SW bullets in magnetic films and confined magnetic nanostructures (magnetic nanocontacts), and have elucidated the essential distinctions between the properties of the one-dimensional nonlinear SW solitons, two-dimensional nonlinear SW bullets and linear spin wave packets, as well as the possibility of self-generation, parametrical excitation, and phase-conjugation of the SW bullets, similar to the case of the conventional linear spin waves. Also, in this review we presented experimental results demonstrating the nucleation, dynamics, and annihilation of two-dimensional strongly nonlinear SW “droplets” in spin-torque-driven magnetic nanocontacts. The properties of these exotic nonlinear objects are analyzed using recently developed theoretical models and illustrated by micromagnetic numerical simulations.
Soliton trains in dispersive media
Authors: Engelbrecht Jüri , Peets Tanel , Tamm Kert
Published: July 2018

In this paper two Boussinesq-type mathematical models are described which lead to solitonic solutions. One case corresponds to microstructured solids, another case to biomembranes. The emergence of soliton trains in both cases is demonstrated by using numerical simulation. The pseudospectral method guarantees the high accuracy in computing. The significance of the nonlinearities—either deformation-type or displacement-type, is demonstrated.
On ballistic transport in channels with negative refraction of particles
Authors: Pastur L. A. , Slavin V. V. , Yanovskii A. V.
Published: July 2018

Ballistic transport is considered in a channel consisting of two layers under the assumption that the negative refraction of particles moving along the channel occurs on the boundary of the layers; this is similar to the Veselago effect known in optics. This formulation of the model may be defined by electron transport in graphene and Weyl metals, where negative refraction is caused by the Klein effect on the p–n junction, as well as spin; for example, photon transport in metamaterials. It is shown that, in the semiclassical approximation, the property of the boundary with negative refraction is similar to backscattering; therefore, it can significantly affect transport through long and narrow channels, even in the case of a perfect border. However, if the border is not perfect (contains roughness, adsorbed impurities, etc.), and refraction (tunneling) and reflection processes occur randomly, then, a set of interesting features of the channel substantially expands and opens up possibilities for the effective control, including the smooth control mode as well as hard cut-off mode, of particles passing through such channels.
Energy localization, Fano resonances, and nonlinear meta-optics
Authors: Kivshar Yuri
Published: July 2018

This paper reflects on some memories of the research topics developed at Department No. 29 of the Institute for Low Temperature Physics and Engineering in Kharkov more than 30 years ago. It also provides some recent advances on my major research activities related to those topics, including energy localization and solitons in nonlinear lattices, Fano resonances in photonics and phononics, and nonlinear effects in meta-optics and nanophotonics. Curiously enough, each of those topics can be associated with some memories and discussions that happened in Kharkov a long time ago.
Features in the diffraction of a scalar plane wave from doubly-periodic Dirichlet and Neumann surfaces
Authors: Maradudin Alexei A. , Pérez-Chávez Veronica , Jędrzejewski Arkadiusz , Simonsen Ingve
Published: July 2018

The diffraction of a scalar plane wave from a doubly-periodic surface on which either the Dirichlet or Neumann boundary condition is imposed is studied by means of a rigorous numerical solution of the Rayleigh equation for the amplitudes of the diffracted Bragg beams. From the results of these calculations the diffraction efficiencies of several of the lowest order diffracted beams are calculated as functions of the polar and azimuthal angles of incidence. The angular dependencies of the diffraction efficiencies display features that can be identified as Rayleigh anomalies for both types of surfaces. In the case of a Neumann surface additional features are present that can be attributed to the existence of surface waves on such surfaces. Some of the results obtained through the use of the Rayleigh equation are validated by comparing them with the results of a rigorous Green's function numerical calculation.
Nonlinear effects of micro-cracks on acoustic surface and wedge waves
Authors: Rjelka M. , Pupyrev P. D. , Koehler B. , Mayer A. P.
Published: July 2018

Micro-cracks give rise to non-analytic behavior of the stress-strain relation. For the case of a homogeneous spatial distribution of aligned flat micro-cracks, the influence of this property of the stress-strain relation on harmonic generation is analyzed for Rayleigh waves and for acoustic wedge waves with the help of a simple micromechanical model adopted from the literature. For the efficiencies of harmonic generation of these guided waves, explicit expressions are derived in terms of the corresponding linear wave fields. The initial growth rates of the second harmonic, i.e., the acoustic nonlinearity parameter, has been evaluated numerically for steel as matrix material. The growth rate of the second harmonic of Rayleigh waves has also been determined for microcrack distributions with random orientation, using a model expression for the strain energy in terms of strain invariants known in a geophysical context.
A modular-invariant modified Weierstrass sigma-function as a building block for lowest-Landau-level wavefunctions on the torus
Authors: Haldane F. D. M.
Published: July 2018

A “modified” variant of the Weierstrass sigma, zeta, and elliptic functions is proposed whereby the zeta function is redefined by ζ(z) ↦ ζ̃(z) ≡ ζ(z)−γ2z, where γ2 is a lattice invariant related to the almost-holomorphic modular invariant of the quasi-modular-invariant weight-2 Eisenstein series. If ωi is a primitive half-period, ζ̃(ωi) = πωi*/A, where A is the area of the primitive cell of the lattice. The quasiperiodicity of the modified sigma function is much simpler than that of the original, and it becomes the building-block for the modular-invariant formulation of lowest-Landau-level wavefunctions on the torus. It is suggested that the “modified” sigma function is more natural than the original Weierstrass form, which was formulated before quasi-modular forms were understood. For the high-symmetry (square and hexagonal) lattices, the modified and original sigma functions coincide.
In situ ATR-FTIR spectroscopic study of the co-adsorption of myo-inositol hexakisphosphate and Zn(II) on goethite
Authors: Yan Yupeng , Wan Biao , Zhang Yanyi , Zhang Limei , Liu Fan , Feng Xionghan
Published: July 2018

The coexistence of myo-inositol hexakisphosphate (IHP; phytate) and aqueous Zn(II) may affect the adsorbed amounts and speciation of each other on minerals, which can further influence the transport and fate of IHP and Zn(II) in soils and sediments. The objective of this study was to investigate the co-adsorption mechanism of IHP and Zn(II) on goethite (Gt). A combination of macroscopic experiments and in situ attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) was used to investigate the co-adsorption of IHP and Zn(II) at the Gt–water interface in the pH range of 3.0–7.0. Adsorption experiments showed that the presence of IHP promoted Zn(II) adsorption, and vice versa, on the surface of Gt. The ATR-FTIR spectra of IHP adsorbed on Gt in the presence of Zn(II) differed from the spectra of IHP adsorbed without co-adsorbed Zn(II) and of zinc phytate (Zn-IHP) precipitates, suggesting that the formation of Gt–IHP–Zn ternary surface complexes was the most likely mechanism for the co-adsorption of IHP and Zn(II) on Gt. The results show that the coexistence of IHP and Zn(II) may have altered both the extent and mechanism of IHP and metal adsorption on Gt, with respect to binary Gt–IHP and Gt–Zn(II) systems. These findings indicate that the coexistence of IHP and heavy metals significantly affects the adsorbed amounts and speciation of these compounds in the natural environment, where the aqueous concentrations of reactants are below saturation with respect to metal phytate precipitates.
Iron oxides in fractured quartz – development and evolution of iron sandstone layers in the Kinshasa area, DR Congo
Authors: Mees F. , Phemba G. , Lahogue P. , De Grave E. , Van Ranst E. , Mpiana C.
Published: July 2018

Quartz grains in an iron sandstone layer in near-surface sandy deposits at Kasangulu, south of Kinshasa, DR Congo, are marked by the presence of iron oxides in subparallel horizontal cracks within the sand grains. This exceptional feature was investigated to understand its origin and paleoenvironmental significance. Based on thin section observations, supplemented by Mössbauer spectroscopy results and other data, the occurrence of filled subparallel cracks is attributed to iron oxide remobilisation following crack opening within an iron-oxide-cemented sand intercalation that became exposed through erosion, whereby crack opening is related to surface temperature fluctuations. The development of filled crack occurrences of this type requires a period of surface exposure, implying that their presence is indicative of the position of former surface levels. A macroscopically similar iron sandstone layer at another locality in the Kinshasa area, lacking filled cracks, provides indications for both surface exposure and cement type as factors in their development.
The fate of linguistic innovations: Jersey English and French learner English compared
Authors: Rosen Anna
Published: July 2018

Drawing on spoken corpus data, this study traces the emergence and development of Norman French-influenced innovations in the nativised L2 variety of Jersey English and compares them to features in the speech of French-speaking learners of English. The comparison shows that such innovations do not differ from errors in a learner variety on a formal linguistic level and that they arguably result from the same processes as are present in foreign language acquisition, such as transfer or simplification. The paper therefore argues that innovations can only be identified reliably in retrospect, once they are more widely accepted in the speech community. It also points to the social factors that are crucial in shaping the use and probable fates of former innovations in Jersey English and suggests a typology of innovations according to their developments.
Identity and metapragmatic acts in a student forum discussion thread
Authors: Tanskanen Sanna-Kaisa
Published: July 2018

Starting with the idea that identity is dynamic, interactive and contextualised, the present study offers a close reading of a discussion thread from an online student discussion forum. During the discussion, the interactants both construct identity with language and use identity in order to frame and evaluate their own and others’ contributions. The discussion turns into a metapragmatic debate in which the interactants move away from the topic of the discussion to talk about who is allowed to say what on the topic. The analysis shows how a participant whose identity is flexible is challenged by the other participants, for whom her identity is defined from the beginning, as she self-positions as an outsider. Her contributions are evaluated against this positioning, and for the others her identity resists change.
I think and I believe
Authors: de Hoop Helen , Foolen Ad , Mulder Gijs , van Mulken Vera
Published: July 2018

This chapter focuses on the evidential use of Dutch denken ‘think’ and geloven ‘believe’ with a first person pronoun. On the basis of Twitter data we conclude that some constructions containing these verbs show features of grammaticalization and that the evidentiality at stake can be labelled as ‘inferential’. However, whereas denken is used when rational sources of evidence are involved, geloven typically matches more impressionistic contexts. We also characterize the difference between the two verbs in terms of semantic roles. The subject of denken is an Agent, whereas the subject of geloven is an Experiencer. This accounts for the observation that past tense dacht ik ‘I thought’ can get an evidential reading that geloofde ik ‘I believed’ lacks.
Codex Argenteusin the light of science and technology
Authors: Munkhammar Lars
Published: July 2018

TheCodex Argenteusin Uppsala is the most comprehensive Gothic document still extant. Over the years, its various symbolic values have inspired several investigations and experiments, not only in the humanities, but also in the field of science and technology ranging from deciphering and reproducing the worn and corrupted script to solving riddles in the field of book history by analysing the materials that make up the codex. At the same time, new advanced techniques have been put to the test: woodcut carving, photography, spectral analysis, C-14 analysis and DNA testing. This paper provides a historical survey of techniques, investigations and even manipulations to which theCodex Argenteushas been subjected in the course of the last four centuries.
The phonology and morphology of foreign words in Gothic revisited
Authors: Snædal Magnús
Published: July 2018

The present paper focuses on foreign names and loan words in the Gothic text corpus. The names are mostly Hebrew in origin but were
transferred to Gothic through Greek. Their phonetic, phonological and graphemic adaption will be discussed in light of the close connection
between the Wulfilian and Greek alphabets. In addition, we will raise the question and discuss whether some names are not fully adapted to
the Gothic inflection but remain Greek in form, as well as why foreign words are sometimes not assigned to the inflectional class which
would appear to be the most natural one.
Another hypothesis concerning the grammar and meaning ofInter eils goticum
Authors: Kleiner Yuri
Published: July 2018

In the Germanic part of the epigram, Intereilsgoticumscapia matzia ia drincan, preserved in Codex Salmasianus, it seems most reasonable to isolatescapiaand gloss it as the 1st person sg. of the verb corresponding to Gothicskapjan‘make’.Intereilsgoticumscapiamatzia iadrincanNon audet quisquam dignos edicere uersus.Calliope madido trepidat se iungere Baccho,Ne pedibus non stet ebria Musa suis.Anthologia Latina285(Riese 1869: 187)1
Prosody, genres and evidentiality in Spanish
Authors: Cabedo Nebot Adrián
Published: July 2018

The aim of this paper is to present a prosodic analysis of the evidential discourse marker por lo visto (‘apparently’) in six oral discourse genres: everyday conversation, discussion, sociolinguistic interviews, TV talks, parliamentary interventions, and news. The multimedia material used for this study comes from real samples of spontaneous speech; among the sources used are linguistic corpora (Valesco, CORLEC) and TV websites, or the Spanish government’s official site. In the experimental design, 29 records were analysed statistically according to different variables, mainly phonic (TOBI accents, pitch, intensity, speech rate and so on). The results showed that (a) the tonal accent L + H * is predominant in news, political discourse and sociolectal interviews; (b) only the political discourse and sociolectal interview showed examples of por lo visto as an independent intonational phrase; and (c) prosody seemed to differentiate the pragmatic and the core meanings of the evidential por lo visto in genres in which both possibilities coexist (excluding genres in which the examples are only oriented towards the core evidential pole (news) or towards the pragmatic pole (political speech).