How to Mix Molecules with Mathematics

In this paper we develop two methods to calculate thermodynamic properties of mixtures. Starting point are the basic assumptions that also form the basis for the COSMO-RS model. In this approach, the individual molecules are represented by their geometrical shape with an electrical charge density on their surfaces. Next, the surface is split up into surface segments each with its own charge. In COSMO-RS a strong reduction is introduced by treating the segments as if they are completely independent. In the present study we take into account that the coupling between two patches is essentially dependent on the charge distribution on neighboring segments and on the local geometrical structure of the surface. Two approaches are followed. The first one points out how the model equations, which comprise the optimization of the entropy and conservation of internal energy, can efficiently be solved in general, thus also if the dependency between segments and the local geometry is included in the expression for the coupling energy between segments. In the second method the configuration with maximal entropy and prescribed energy is sought via simulation. Successive molecular configurations of the mixture are simulated and updated via a genetic algorithm to optimize the entropy. The second method is more time consuming but very general

Diffractive point sets with entropy

After a brief historical survey, the paper introduces the notion of entropic model sets (cut and project sets), and, more generally, the notion of diffractive point sets with entropy. Such sets may be thought of as generalizations of lattice gases. We show that taking the site occupation of a model set stochastically results, with probabilistic certainty, in well-defined diffractive properties augmented by a constant diffuse background. We discuss both the case of independent, but identically distributed (i.i.d.) random variables and that of independent, but different (i.e., site dependent) random variables. Several examples are shown.Comment: 25 pages; dedicated to Hans-Ude Nissen on the occasion of his 65th birthday; final version, some minor addition

Open source software for semi-automated histomorphometry of bone resorption and formation parameters

Micro-CT analysis has become the standard method for assessing bone volume and architecture in small animals. However, micro-CT does not allow the assessment of bone turnover parameters such as bone formation rate and osteoclast (OC) number and surface. For these crucial variables histomorphometric analysis is still an essential technique. Histomorphometry however, is time consuming and, especially in mouse bones, OCs can be difficult to detect. The main purpose of this study was to develop and validate a relatively easy and rapid method to measure static and dynamic bone histomorphometry parameters. Here we present the adaptation of established staining protocols and three novel open source image analysis packages: TrapHisto, OsteoidHisto and CalceinHisto that allow rapid, semi-automated analysis of histomorphometric bone resorption, osteoid, and calcein double labelling parameters respectively. These three programs are based on ImageJ, but use a relatively simple user interface that hides the underlying complexity of the image analysis

Repetitions in beta-integers

Classical crystals are solid materials containing arbitrarily long periodic repetitions of a single motif. In this paper, we study the maximal possible repetition of the same motif occurring in beta-integers -- one dimensional models of quasicrystals. We are interested in beta-integers realizing only a finite number of distinct distances between neighboring elements. In such a case, the problem may be reformulated in terms of combinatorics on words as a study of the index of infinite words coding beta-integers. We will solve a particular case for beta being a quadratic non-simple Parry number.Comment: 11 page

Multinet : enabler for next generation enterprise wireless services

Wireless communications are currently experiencing a fast migration toward the beyond third-generation (B3G)/fourth generation (4G) era. This represents a generational change in wireless systems: new capabilities related to mobility and new services support is required and new concepts as individual-centric, user-centric or ambient-aware communications are included. One of the main restrictions associated to wireless technology is mobility management, this feature was not considered in the design phase; for this reason, a complete solution is not already found, although different solutions are proposed and are being proposed. In MULTINET project, features as mobility and multihoming are applied to wireless network to provide the necessary network and application functionality enhancements for seamless data communication mobility considering end-user scenario and preferences. The aim of this paper is to show the benefits of these functionalities from the Service Providers and final User point of view

Rapid and MR-Independent IK1 activation by aldosterone during ischemia-reperfusion

In ST elevation myocardial infarction (STEMI) context, clinical studies have shown the deleterious effect of high aldosterone levels on ventricular arrhythmia occurrence and cardiac mortality. Previous in vitro reports showed that during ischemia-reperfusion, aldosterone modulates K+ currents involved in the holding of the resting membrane potential (RMP). The aim of this study was to assess the electrophysiological impact of aldosterone on IK1 current during myocardial ischemia-reperfusion. We used an in vitro model of “border zone” using right rabbit ventricle and standard microelectrode technique followed by cell-attached recordings from freshly isolated rabbit ventricular cardiomyocytes. In microelectrode experiments, aldosterone (10 and 100 nmol/L, n=7 respectively) increased the action potential duration (APD) dispersion at 90% between ischemic and normoxic zones (from 95±4ms to 116±6 ms and 127±5 ms respectively, P<0.05) and reperfusion-induced sustained premature ventricular contractions occurrence (from 2/12 to 5/7 preparations, P<0.05). Conversely, potassium canrenoate 100 nmol/L and RU 28318 1 μmol/l alone did not affect AP parameters and premature ventricular contractions occurrence (except Vmax which was decreased by potassium canrenoate during simulated-ischemia). Furthermore, aldosterone induced a RMP hyperpolarization, evoking an implication of a K+ current involved in the holding of the RMP. Cell-attached recordings showed that aldosterone 10 nmol/L quickly activated (within 6.2±0.4 min) a 30 pS K+-selective current, inward rectifier, with pharmacological and biophysical properties consistent with the IK1 current (NPo =1.9±0.4 in control vs NPo=3.0±0.4, n=10, P<0.05). These deleterious effects persisted in presence of RU 28318, a specific MR antagonist, and were successfully prevented by potassium canrenoate, a non specific MR antagonist, in both microelectrode and patch-clamp recordings, thus indicating a MR-independent IK1 activation. In this ischemia-reperfusion context, aldosterone induced rapid and MR-independent deleterious effects including an arrhythmia substrate (increased APD90 dispersion) and triggered activities (increased premature ventricular contractions occurrence on reperfusion) possibly related to direct IK1 activation

Measurement of 0.25-3.2 GeV antiprotons in the cosmic radiation

The balloon-borne Isotope Matter-Antimatter Experiment (IMAX) was flown from Lynn Lake, Manitoba, Canada on 16–17 July 1992. Using velocity and magnetic rigidity to determine mass, we have directly measured the abundances of cosmic ray antiprotons and protons in the energy range from 0.25 to 3.2 GeV. Both the absolute flux of antiprotons and the antiproton/proton ratio are consistent with recent theoretical work in which antiprotons are produced as secondary products of cosmic ray interactions with the interstellar medium. This consistency implies a lower limit to the antiproton lifetime of ∼10 to the 7th yr

A review of implant provision for hypodontia patients within a Scottish referral centre

Background: Implant treatment to replace congenitally missing teeth often involves multidisciplinary input in a secondary care environment. High quality patient care requires an in-depth knowledge of treatment requirements. Aim: This service review aimed to determine treatment needs, efficiency of service and outcomes achieved in hypodontia patients. It also aimed to determine any specific difficulties encountered in service provision, and suggest methods to overcome these. Methods: Hypodontia patients in the Unit of Periodontics of the Scottish referral centre under consideration, who had implant placement and fixed restoration, or review completed over a 31 month period, were included. A standardised data collection form was developed and completed with reference to the patient's clinical record. Information was collected with regard to: the indication for implant treatment and its extent; the need for, complexity and duration of orthodontic treatment; the need for bone grafting and the techniques employed and indicators of implant success. Conclusion: Implant survival and success rates were high for those patients reviewed. Incidence of biological complications compared very favourably with the literature

Tilings, tiling spaces and topology

To understand an aperiodic tiling (or a quasicrystal modeled on an aperiodic tiling), we construct a space of similar tilings, on which the group of translations acts naturally. This space is then an (abstract) dynamical system. Dynamical properties of the space (such as mixing, or the spectrum of the translation operator) are closely related to bulk properties of the individual tilings (such as the diffraction pattern). The topology of the space of tilings, particularly the Cech cohomology, gives information on how the original tiling can be deformed. Tiling spaces can be constructed as inverse limits of branched manifolds.Comment: 8 pages, including 2 figures, talk given at ICQ