Wetting phenomenon in the liquid-vapor phase coexistence of a partially miscible Lennard-Jones binary mixture

We have carried out extensive equilibrium molecular dynamics (MD) simulations to study the structure and the interfacial properties in the liquid-vapor (LV) phase coexistence of partially miscible binary Lennard-Jones (LJ) mixtures. By analyzing the structural properties as a function of the miscibility parameter, $\alpha$, we found that at relatively low temperatures the system separates forming a liquid A-liquid B interface in coexistence with the vapor phase. At higher temperatures and, $0<\alpha\leq 0.5$, we found a temperature range, $T^{*}_{w}(\alpha) \leq T^{*} < T^{*}_{cons}(\alpha)$, where the liquid phases are wet by the vapor phase. Here, $T^{*}_{w}(\alpha)$ represents the wetting transition temperature (WTT) and $T^{*}_{cons}(\alpha)$ is the consolute temperature of the mixture. However, for $0.5< \alpha < 1$, no wetting phenomenon occurs. For the particular value, $\alpha=0.25$, we analyzed quantitatively the $T^{*}$ versus $\rho^{*}$, and $P^{*}$ versus $T^{*}$ phase diagrams and found, $T^{*}_{c}\simeq 1.25$, and $T^{*}_{cons}\simeq1.25$. We also studied quantitatively, as a function of temperature, the surface tension and the adsorption of molecules at the liquid-liquid interface. It was found that the adsorption shows a jump from a finite negative value up to minus infinity, when the vapor wets the liquid phases, suggesting that the wetting transition (WT) is of first order. The calculated phase diagram together with the wetting phenomenon strongly suggest the existence of a tricritical point. These results agree well with some experiments carried out in fluid binary mixtures.Comment: Enlarged version that include results of more extensive simulations. A total of 24 LaTeX pages that include 12 encapsulated poscript figures. To appear in PRE, Vol. 70, issue Sept. 1st (2004

A new geometrical method for 3D evaluation of non-rigid registration methods for radiotherapy in prostate cancer

Three-dimensional conformal radiotherapy aims at delivering a high dose of radiation to the tumour, while sparing the surrounding normal tissue to a maximum extent. Image registration is an essential tool for monitoring radiation therapies, since allows morphological comparisons in presence of anatomic variations. The evaluation of non-rigid registration methods is very complicated owe to the absence of a known pointwise correspondence. The use of analysis of variations in target volume delineations has been proposed in the past for the evaluation of non-rigid registration methods. Delineation of the target volume is usually accomplished by outlining the contour of the volume in each separate tomographic slice. In the studies of reference, the 3D surface is rendered from the contours by means of a Delauney triangulation. This geometrical method only works correctly for convex structures. However the volumes involved on pelvic anatomy, such as bladder or prostate including the seminal vesicles, have relevant concavities that introduce a huge error in the evaluation. A new geometrical method for the evaluation of convex-concave target volumes delineation is proposed

New Insights Into Sunflower (Helianthus annuus L.) FatA and FatB Thioesterases, Their Regulation, Structure and Distribution

Sunflower seeds (Helianthus annuus L.) accumulate large quantities of triacylglycerols (TAG) between 12 and 28 days after flowering (DAF). This is the period of maximal acyl-acyl carrier protein (acyl-ACP) thioesterase activity in vitro, the enzymes that terminate the process of de novo fatty acid synthesis by catalyzing the hydrolysis of the acyl-ACPs synthesized by fatty acid synthase. Fatty acid thioesterases can be classified into two families with distinct substrate specificities, namely FatA and FatB. Here, some new aspects of these enzymes have been studied, assessing how both enzymes contribute to the acyl composition of sunflower oil, not least through the changes in their expression during the process of seed filling. Moreover, the binding pockets of these enzymes were modeled based on new data from plant thioesterases, revealing important differences in their volume and geometry. Finally, the subcellular location of the two enzymes was evaluated and while both possess an N-terminal plastid transit peptide, only in FatB contains a hydrophobic sequence that could potentially serve as a transmembrane domain. Indeed, using in vivo imaging and organelle fractionation, H. annuus thioesterases, HaFatA and HaFatB, appear to be differentially localized in the plastid stroma and membrane envelope, respectively. The divergent roles fulfilled by HaFatA and HaFatB in oil biosynthesis are discussed in the light of our data.España MINECO y FEDER Projects AGL2014- 53537-R y AGL2017-83449-

Coherent State Description of the Ground State in the Tavis-Cummings Model and its Quantum Phase Transitions

Quantum phase transitions and observables of interest of the ground state in the Tavis-Cummings model are analyzed, for any number of atoms, by using a tensorial product of coherent states. It is found that this "trial" state constitutes a very good approximation to the exact quantum solution, in that it globally reproduces the expectation values of the matter and field observables. These include the population and dipole moments of the two-level atoms and the squeezing parameter. Agreement in the field-matter entanglement and in the fidelity measures, of interest in quantum information theory, is also found.The analysis is carried out in all three regions defined by the separatrix which gives rise to the quantum phase transitions. It is argued that this agreement is due to the gaussian structure of the probability distributions of the constant of motion and the number of photons. The expectation values of the ground state observables are given in analytic form, and the change of the ground state structure of the system when the separatrix is crossed is also studied.Comment: 38 pages, 16 figure

Design and technical evaluation of an enhanced location-awareness service enabler for spatial disorientation management of elderly with mild cognitive impairment

The progressive ageing of population has turned the mild cognitive impairment (MCI) into a prevalent disease suffered by elderly. Consequently, the spatial disorientation has become a significant problem for older people and their caregivers. The ambient-assisted living applications are offering location-based services for empowering elderly to go outside and encouraging a greater independence. Therefore, this paper describes the design and technical evaluation of a location-awareness service enabler aimed at supporting and managing probable wandering situations of a person with MCI. Through the presence capabilities of the IP multimedia subsystem (IMS) architecture, the service will alert patient's contacts if a hazardous situation is detected depending on his location. Furthermore, information about the older person's security areas has been included in the user profile managed by IMS. In doing so, the service enabler introduced contribute to “context-awareness” paradigm allowing the adaptation and personalization of services depending on user's context and specific conditions or preferences

AALUMO: a user model ontology for ambient assisted living services supported in next-generation networks

Ambient Assisted Living (AAL) services are emerging as context-awareness solutions to support elderly people?s autonomy. The context-aware paradigm makes applications more user-adaptive. In this way, context and user models expressed in ontologies are employed by applications to describe user and environment characteristics. The rapid advance of technology allows creating context server to relieve applications of context reasoning techniques. Specifically, the Next Generation Networks (NGN) provides by means of the presence service a framework to manage the current user's state as well as the user's profile information extracted from Internet and mobile context. This paper propose a user modeling ontology for AAL services which can be deployed in a NGN environment with the aim at adapting their functionalities to the elderly's context information and state

Video-based assistance system for training in minimally invasive surgery

In this paper, the development of an assisting system for laparoscopic surgical training is presented. With this system, we expect to facilitate the training process at the first stages of training in laparoscopic surgery and to contribute to an objective evaluation of surgical skills. To achieve this, we propose the insertion of multimedia contents and outlines of work adapted to the level of experience of trainees and the detection of the movements of the laparoscopic instrument into the monitored image. A module to track the instrument is implemented focusing on the tip of the laparoscopic tool. This tracking method does not need the presence of artificial marks or special colours to distinguish the instruments. Similarly, the system has another method based on visual tracking to localize support multimedia content in a stable position of the field of vision. Therefore, this position of the support content is adapted to the movements of the camera or the working area. Experimental results are presented to show the feasibility of the proposed system for assisting in laparoscopic surgical training

Extracción Automática de la Línea Central de Estructuras Tubulares: Implementación Matricial

Se propone una nueva implementación matricial de un algoritmo para la extracción automática de la línea central de estructuras tubulares. El algoritmo seleccionado calcula la línea central de estructuras complejas sin la necesidad de interacción con el usuario. En el trabajo se explica detalladamente cómo llevar a cabo la implementación matricial utilizando el lenguaje de computación de Matlab. La implementación matricial permite el cálculo de la línea central en pocos segundos, mejorando en varios grados de magnitud la implementación disponible en ITK