Preliminary investigations of weak non-adiabatic effects in materials from simulations on model clusters

According to earlier work, excited electronic states, despite their very small concentrations in wide-gap systems, might be involved in the initiation of energetic materials. To get further insight into the non-adiabatic electronic behaviour under intense mechanical perturbations, a simple approach is suggested, using finite clusters as models for materials. Preliminary calculations are carried out for isolated clusters undergoing vibrations. Electronic populations in excited states obtained from these simulations are much larger than expected on the basis of statistical mechanics. Therefore, an extension of the present scheme to the canonical NVT ensemble would be desirable.     

Genotype-phenotype analysis in four families with mutations in beta-myosin heavy chain gene responsible for familial hypertrophic cardiomyopathy

The effects of two progestogen-only pills containing either 75 microgram desogestrel (DSG) or 30 microgram levonorgestrel (LNG) on hemostasis were investigated in a double-blind, randomized, controlled study of seven treatment cycles in 78 healthy women. DSG reduced factor VII activity (p < 0.05) and prothrombin fragment 1+2 (p < 0.05) and increased protein S (p < 0.001). LNG reduced factor VII activity (p < 0.01) and plasminogen activity (p < 0.01) and increased tissue-plasminogen activator (t-PA) (p < 0.05). At the end of the post-treatment cycle with DSG, protein S (p < 0.01) and t-PA (p < 0.05) were increased and plasminogen activity was decreased (p < 0.05), whereas with LNG, t-PA was increased (p < 0.001) and prothrombin fragment 1+2 (p < 0.05) and plasminogen activity (p < 0.001) were decreased. Between-group comparisons revealed higher values for DSG regarding the anticoagulatory parameter protein S at cycle 7 (p < 0.01) and post-treatment assessments (p < 0.05), and the fibrinolytic parameter plasmin-antiplasmin complex was higher with DSG at cycle 7 (p < 0.05) and at post-treatment (p < 0.05). Both preparations had comparable and potentially favorable effects of hemostasis, and may offer suitable hormonal contraception to women with a personal or family history of venous thromboembolic diseases.     

Constant-distance mode scanning potentiometry. 1. Visualization of calcium carbonate dissolution in aqueous solution

Constant-distance mode scanning potentiometry was established by integrating potentiometric microsensors as ion-selective scanning probes into a SECM setup that was equipped with a piezoelectric shear force-based tip-to-sample distance control. The combination of specially designed micrometer-sized potentiometric tips with an advanced system for tip positioning allowed simultaneous acquisition of both topographic and potentiometric information at solid/liquid interfaces with high spatial resolution. The performance of the approach was evaluated by applying Ca(2+)-selective constant-distance mode potentiometry to monitor the dissolution of calcium carbonate occurring either at the (104) surface of calcite crystals or in proximity to the more complex surface of cross sections of a calcium carbonate shell of Mya arenaria exposed to slightly acidic aqueous solutions. Micrometer-scale heterogeneities in the apparent calcium activity profiles have successfully been resolved for both samples.     

Software to compute and conduct sequential Bayesian phase I or II dose-ranging clinical trials with stopping rules

The aim of dose-ranging phase I (resp. phase II) clinical trials is to rapidly identify the maximum tolerated dose (MTD) (resp., minimal effective dose (MED)) of a new drug or combination. For the conduct and analysis of such trials, Bayesian approaches such as the Continual Reassessment Method (CRM) have been proposed, based on a sequential design and analysis up to a completed fixed sample size. To optimize sample sizes, Zohar and Chevret have proposed stopping rules (Stat. Med. 20 (2001) 2827), the computation of which is not provided by available softwares. We present in this paper a user-friendly software for the design and analysis of these Bayesian Phase I (resp. phase II) dose-ranging Clinical Trials (BPCT). It allows to carry out the CRM with stopping rules or not, from the planning of the trial, with choice of model parameterization based on its operating characteristics, up to the sequential conduct and analysis of the trial, with estimation at stopping of the MTD (resp. MED) of the new drug or combination.     

Photomodification of polymer microchannels induced by static and dynamic excimer ablation: effect on the electroosmotic flow

This paper presents a study of polymer surfaces modified by laser ablation using poly(ethylene terephthalate) (PET) as a model system. The surface properties induced by static and dynamic ablation with the 193-nm pulsed radiation of an ArF excimer laser (4 x 10(7) W/cm2) in air have been successfully used to control the electroosmotic flow (EOF) in photoablated PET microchannels. Through the creation of well-defined static ablation patterns onto the walls of a trapezoidal channel, it was found that the resulting reduction in the EOF could be controlled. For example, a reduction of 25% in the EOF was observed in 42-microm-deep microchannels when using a static ablation pattern treating 50% of the total wall surface area. A numerical study describing the fluidic behavior induced by a static pattern is also presented. Moreover, X-ray photoelectron spectroscopy has been used to point out surface changes between static and dynamic ablation, thereby demonstrating an ability to create new functionalities in microchannels by laser treatment.     

Implicit Meshes for Effective Silhouette Handling

Using silhouettes in uncontrolled environments typically requires handling occlusions as well as changing or cluttered backgrounds, which limits the applicability of most silhouette based methods. For the purpose of 3-D shape modeling, we show that representing generic 3-D surfaces as implicit surfaces lets us effectively address these issues. This desirable behavior is completely independent from the way the surface deformations are parame-trized. To show this, we demonstrate our technique in three very different cases: Modeling the deformations of a piece of paper represented by an ordinary triangulated mesh; reconstruction and tracking a person’s shoulders whose deformations are expressed in terms of Dirichlet Free Form Deformations; reconstructing the shape of a human face parametrized in terms of a Principal Component Analysis model. Electronic supplementary material Electronic supplementary material is available for this article at and accessible for authorised users. This work was supported in part by the Swiss National Science Foundation     

Mechanics of Progressive Collapse: Learning from World Trade Center and Building Demolitions

Progressive collapse is a failure mode of great concern for tall buildings, and is also typical of building demolitions. The most infamous paradigm is the collapse of the World Trade Center towers. After reviewing the mechanics of their collapse, the motion during the crushing of one floor (or group of floors) and its energetics are analyzed, and a dynamic one-dimensional continuum model of progressive collapse is developed. Rather than using classical homogenization, it is found more effective to characterize the continuum by an energetically equivalent snap-through. The collapse, in which two phases—crush-down followed by crush-up—must be distinguished, is described in each phase by a nonlinear second-order differential equation for the propagation of the crushing front of a compacted block of accreting mass. Expressions for consistent energy potentials are formulated and an exact analytical solution of a special case is given. It is shown that progressive collapse will be triggered if the total (internal) energy loss during the crushing of one story (equal to the energy dissipated by the complete crushing and compaction of one story, minus the loss of gravity potential during the crushing of that story) exceeds the kinetic energy impacted to that story. Regardless of the load capacity of the columns, there is no way to deny the inevitability of progressive collapse driven by gravity alone if this criterion is satisfied (for the World Trade Center it is satisfied with an order-of-magnitude margin). The parameters are the compaction ratio of a crushed story, the fracture of mass ejected outside the tower perimeter, and the energy dissipation per unit height. The last is the most important, yet the hardest to predict theoretically. It is argued that, using inverse analysis, one could identify these parameters from a precise record of the motion of floors of a collapsing building. Due to a shroud of dust and smoke, the videos of the World Trade Center are only of limited use. It is proposed to obtain such records by monitoring (with millisecond accuracy) the precise time history of displacements in different modes of building demolitions. The monitoring could be accomplished by real-time telemetry from sacrificial accelerometers, or by high-speed optical camera. The resulting information on energy absorption capability would be valuable for the rating of various structural systems and for inferring their collapse mode under extreme fire, internal explosion, external blast, impact or other kinds of terrorist attack, as well as earthquake and foundation movements.