Specification and Verification of Agent Interaction using Social Integrity Constraints

In this paper we propose a logic-based social approach to the specification and verification of agent interaction. We firstly introduce integrity constraints about social acts (called Social Integrity Constraints) as a formalism to express interaction protocols and to give a social semantics to the behavior of agents, focusing on communicative acts. Then, we discuss several possible kinds of verification of agent interaction, and we show how social integrity constraints can be used to verify some properties in this respect. We focus our attention on static verification of compliance of agent specifications to interaction protocols, and on run-time verification, based on agents' observable behavior. We adopt as a running example the NetBill security transaction protocol for the selling and delivery of information goods.     

A least squares approach to principal component analysis for interval valued data

Principal Component Analysis (PCA) is a well-known technique, the aim of which is to synthesize huge amounts of numerical data by means of a low number of unobserved variables, called components. In this paper, an extension of PCA to deal with interval valued data is proposed. The method, called Midpoint Radius Principal Component Analysis (MR-PCA), recovers the underlying structure of interval valued data by using both the midpoints (or centers) and the radii (a measure of the interval width) information. In order to analyze how MR-PCA works, the results of a simulation study and two applications on chemical data are proposed.     

Atomically Precise Prediction of 2D Self‐Assembly of Weakly Bonded Nanostructures: STM Insight into Concentration‐Dependent Architectures

A joint experimental and computational study is reported on the concentration‐dependant self‐assembly of a flat C₃‐symmetric molecule on a graphite surface. As a model system a tripodal molecule, 1,3,5‐tris(pyridin‐3‐ylethynyl)benzene, has been chosen, which can adopt either C_3h or C_s symmetry when planar, as a result of pyridyl rotation along the alkynyl spacers. Density functional theory (DFT) simulations of 2D nanopatterns with different surface coverage reveal that the molecule can generate different types of self‐assembled motifs. The stability of fourteen 2D patterns and the influence of concentration are analyzed. It is found that ordered, densely packed monolayers and 2D porous networks are obtained at high and low concentrations, respectively. A concentration‐dependent scanning tunneling microscopy (STM) investigation of this molecular self‐assembly system at a solution/graphite interface reveals four supramolecular motifs, which are in perfect agreement with those predicted by simulations. Therefore, this DFT method represents a key step forward toward the atomically precise prediction of molecular self‐assembly on surfaces and at interfaces.     

Thermostable Esterase 2 from Alicyclobacillus acidocaldarius as Biosensor for the Detection of Organophosphate Pesticides

Pesticides are the plague of modern times, although much needed in agriculture, causing damage to the entire ecosystem, including humans. The high operative costs and the requirement of specialized personnel for pesticide detection, incentive to develop alternative solutions such as the set up of cheap, rapid, and simple to use biosensors. In this work, we evaluate the possibility to use the esterase 2 from Alicyclobacillus acidocaldarius as a biosensor for the detection of specific organophosphate pesticides. With the recent demonstration of the very high affinity of esterase 2 toward paraoxon, a more complete analysis on the detection methods in water as well as in purposely contaminated fruit juices was carried out. The inhibitory effects of a wide range of other pesticides on esterase 2 were investigated, showing a better selectivity with respect to nonspecific reaction of acethylcholinesterases, the main target of organophosphate pesticides. The applied methodology allowed one to detect 2.75 × 10(-3) ppm of neurotoxic agent, comparable to the efficiency of other acethylcholinesterase-based biosensors. Finally, a raw biosensor, based on EST2 immobilization on a nitrocellulose membrane, was devised and tested for paraoxon detection, showing longtime stability, reproducibility, and sensibility.     

State-of-the-Art on Wound Vitality Evaluation: A Systematic Review

The vitality demonstration refers to determining if an injury has been caused ante- or post-mortem, while wound age means to evaluate how long a subject has survived after the infliction of an injury. Histology alone is not enough to prove the vitality of a lesion. Recently, immunohistochemistry, biochemistry, and molecular biology have been introduced in the field of lesions vitality and age demonstration. The study was conducted according to the preferred reporting items for systematic review (PRISMA) protocol. The search terms were “wound”, “lesion”, “vitality”, “evaluation”, “immunohistochemistry”, “proteins”, “electrolytes”, “mRNAs”, and “miRNAs” in the title, abstract, and keywords. This evaluation left 137 scientific papers. This review aimed to collect all the knowledge on vital wound demonstration and provide a temporal distribution of the methods currently available, in order to determine the age of lesions, thus helping forensic pathologists in finding a way through the tangled jungle of wound vitality evaluation.     

The Marching Intersections algorithm for merging range images

A new algorithm for the integration of partially overlapping range images into a triangular mesh is presented. The algorithm consists of three main steps: it locates the intersections between the range surfaces and a reference grid chosen by the user, then merges all nearly coincident and redundant intersections according to a proximity criterion, and, finally, reconstructs the merged surface(s) from the filtered intersection set. Compared with previous methods, which adopt a volumetric approach, our algorithm shows lower computational costs and improves the accuracy of the surfaces produced. It takes into account the quality of the input measurements and is able to patch small holes corresponding to the parts of the 3D scanned object that were not observed by the acquisition device. The algorithm has been tested on several datasets of range maps; graphical and numeric results are reported.     

Petri net based process scheduling: A model of the control system of flexible manufacturing systems

In this paper, we propose a class of algorithms for the sub-optimal solution of a particular class of problems of process scheduling, particularly focusing on a case study in the area of flexible manufacturing systems (FMSs). The general class of problems we face in our approach is characterized as follows: there is a set of concurrent processes, each formed by a number of temporally related tasks (segments). Tasks are executable by alternate resource sets, different both in performance and costs. Processes and tasks are characterized by release times, due dates, and deadlines. Time constraints are also present in the availability of each resource in resource sets. It has been proven that such a problem does not admit an algorithm for an optimal solution in polynomial time. Our proposed algorithm finds a sub-optimal schedule according to a set of optimization criteria, based on task and process times (earliness, tardiness), and/or time independent costs of resources. Our approach to process scheduling is based on Timed Coloured Petri Nets. We describe the structure of the coordination and scheduling algorithms, concentrating on (i) the general-purpose component, and (ii) the application-dependent component. In particular, the paper focuses on the following issues: (i) theautomatic synthesis of Petri net models of the coordination subsystem, starting from the problem knowledge base; (ii) the dynamic behavior of the coordination subsystem, whose kernel is a High Level Petri net executor, a coordination process based on an original, general purpose algorithm; (iii) the structure of the real-time scheduling subsystem, based on particular heuristic sub-optimal multi-criteria algorithms. Furthermore, the paper defines the interaction mechanisms between the coordination and scheduling subsystems. Our approach clearly distinguishes the mechanism of the net execution from the decision support system. Two conceptually distinct levels, which correspond to two different, interacting implementation modules in the prototype CASE tool, have been defined: theexecutor and thescheduler levels. One of the outstanding differences between these levels is that the executor is conceived as a fast, efficient coordination process, without special-purpose problem-solving capabilities in case of conflicts. The scheduler, on the other hand, is the adaptive, distributed component, whose behavior may heavily depend on the problem class. If the scheduler fails, the executor is, in any case, able to proceed with a general-purpose conflict resolution strategy. Experimental results on the real-time performance of the kernel of the implemented system are finally shown in the paper. The approach described in this paper is at the basis of a joint project with industrial partners for the development of a CASE tool for the simulation of blast furnaces.     

Energy Deposition around Swift Carbon-Ion Tracks in Liquid Water

Energetic carbon ions are promising projectiles used for cancer radiotherapy. A thorough knowledge of how the energy of these ions is deposited in biological media (mainly composed of liquid water) is required. This can be attained by means of detailed computer simulations, both macroscopically (relevant for appropriately delivering the dose) and at the nanoscale (important for determining the inflicted radiobiological damage). The energy lost per unit path length (i.e., the so-called stopping power) of carbon ions is here theoretically calculated within the dielectric formalism from the excitation spectrum of liquid water obtained from two complementary approaches (one relying on an optical-data model and the other exclusively on ab initio calculations). In addition, the energy carried at the nanometre scale by the generated secondary electrons around the ion’s path is simulated by means of a detailed Monte Carlo code. For this purpose, we use the ion and electron cross sections calculated by means of state-of-the art approaches suited to take into account the condensed-phase nature of the liquid water target. As a result of these simulations, the radial dose around the ion’s path is obtained, as well as the distributions of clustered events in nanometric volumes similar to the dimensions of DNA convolutions, contributing to the biological damage for carbon ions in a wide energy range, covering from the plateau to the maximum of the Bragg peak.     

Iron Mobilization from Ferritin in Yeast Cell Lysate and Physiological Implications

Most in vitro iron mobilization studies from ferritin have been performed in aqueous buffered solutions using a variety of reducing substances. The kinetics of iron mobilization from ferritin in a medium that resembles the complex milieu of cells could dramatically differ from those in aqueous solutions, and to our knowledge, no such studies have been performed. Here, we have studied the kinetics of iron release from ferritin in fresh yeast cell lysates and examined the effect of cellular metabolites on this process. Our results show that iron release from ferritin in buffer is extremely slow compared to cell lysate under identical experimental conditions, suggesting that certain cellular metabolites present in yeast cell lysate facilitate the reductive release of ferric iron from the ferritin core. Using filtration membranes with different molecular weight cut-offs (3, 10, 30, 50, and 100 kDa), we demonstrate that a cellular component >50 kDa is implicated in the reductive release of iron. When the cell lysate was washed three times with buffer, or when NADPH was omitted from the solution, a dramatic decrease in iron mobilization rates was observed. The addition of physiological concentrations of free flavins, such as FMN, FAD, and riboflavin showed about a two-fold increase in the amount of released iron. Notably, all iron release kinetics occurred while the solution oxygen level was still high. Altogether, our results indicate that in addition to ferritin proteolysis, there exists an auxiliary iron reductive mechanism that involves long-range electron transfer reactions facilitated by the ferritin shell. The physiological implications of such iron reductive mechanisms are discussed.