Structural relationships in the solid state of the anti-chagas agent (E)-phenylethenylbenzofuroxan

The crystal structure and the vibrational spectrum of a potential drug for Chagas`s disease treatment, the (E)-isomer of phenylethenylbenzofuroxan 1 (5(6)(E)-[(2-phenylethenyl)]benzo[1,2-c]1,2,5-oxadiazole N-oxide), are reported. In order to provide insights into structural relationships, quantum mechanical calculations were employed starting from crystal structure. These results have given theoretical support to state interesting structural features, such as the effect of some intermolecular contacts on the molecule conformation and the electronic delocalization decreasing through atoms of the benzofuroxan moiety. Furthermore, the MOGUL comparative analysis in the Cambridge Structural Database provided additional evidences on these structural behaviors of compound 1. Intermolecular contacts interfere on the intramolecular geometry, as, for instance, on the phenyl group orientation, which is twisted by 12.32(6)A degrees from the ethenylbenzofuroxan plane. The experimental Raman spectrum of compound 1 presents unexpected frequency shift and also anomalous Raman activities. At last, the molecule skeleton deformation and the characteristic vibrational modes were correlated by matching the experimental Raman spectrum to the calculated one.

Cyclocreatine, an anticancer and neuroprotective agent. Spectroscopic, structural and theoretical study

The structural, spectroscopic and theoretical study of cyclocreatine (1-carboxymethyl-2-iminoimidazolidine, CyCre) has been performed prompted by the biological relevance of the molecule and its potential role as a ligand in biometalic compounds. The crystal structure of CyCre has been determined by X-ray diffraction methods. The compound crystallizes as a zwitterion in the monoclinic system, space group P2(1)/c. The crystal is further stabilized by a network of N-H center dot center dot center dot O bonds. Infrared and Raman spectra of the solid, electronic spectra of aqueous solutions at different pH values and (1)H and (13)C NMR spectra have been recorded and analyzed. Band assignments were accomplished with the help of theoretical calculations. Optimized molecular geometries, harmonic vibrational frequencies and molecular electrostatic potentials were calculated using methods based on the density functional theory. (C) 2010 Elsevier B.V. All rights reserved.

A logic-based agent that plans for extended reachability goals

Planning to reach a goal is an essential capability for rational agents. In general, a goal specifies a condition to be achieved at the end of the plan execution. In this article, we introduce nondeterministic planning for extended reachability goals (i.e., goals that also specify a condition to be preserved during the plan execution). We show that, when this kind of goal is considered, the temporal logic CTL turns out to be inadequate to formalize plan synthesis and plan validation algorithms. This is mainly due to the fact that the CTL`s semantics cannot discern among the various actions that produce state transitions. To overcome this limitation, we propose a new temporal logic called alpha-CTL. Then, based on this new logic, we implement a planner capable of synthesizing reliable plans for extended reachability goals, as a side effect of model checking.

Electroanalytical Method for the Analysis of Methyldopa In Pharmaceutical Tablets Using a Crude Extract of Laccase from Pycnoporus sanguineus as Oxidizing Agent

Several colorimetric and chromatographic methods have been used for the identification and quantification of methyldopa (MA) in pharmaceutical formulations and clinical samples. However, these methods are time- and reagent-consuming, which stimulated our efforts to develop a simple, fast, and low-cost alternative method. We carried out an electroanalytical method for the determination of MA in pharmaceutical formulations using the crude enzymatic extract of laccase from Pycnoporus sanguineus as oxidizing agent. This method is based on the biochemical oxidation of MA by laccase (LAC), both in solution, followed by electrochemical reduction on glassy carbon electrode surface. This method was employed for the determination of MA in pure and pharmaceutical formulations and compared with the results obtained using the official method. A wide linear curve from 23 x 10(-5) to 1 x 10(-4) mol L(-1) was found with a detection limit calculated from 43 x 10(-6) mol L(-1).

Extraction of cellulose whiskers from cassava bagasse and their applications as reinforcing agent in natural rubber

In this work cassava bagasse, a by-product of cassava starch industrialization was investigated as a new raw material to extract cellulose whiskers. This by-product is basically constituted of cellulose fibers (17.5 wt%) and residual starch (82 wt%). Therefore, this residue contains both natural fibers and a considerable quantity of starch and this composition suggests the possibility of using cassava bagasse to prepare both starch nanocrystals and cellulose whiskers. In this way, the preparation of cellulose whiskers was investigated employing conditions of sulfuric acid hydrolysis treatment found in the literature. The ensuing materials were characterized by transmission electron microscopy (TEM) and X-ray diffraction experiments. The results showed that high aspect ratio cellulose whiskers were successfully obtained. The reinforcing capability of cellulose whiskers extracted from cassava bagasse was investigated using natural rubber as matrix. High mechanical properties were observed from dynamic mechanical analysis. (C) 2010 Elsevier B.V. All rights reserved.

Equipping Simulation Model (BIOSIM)’s Actors With Multi-agent Intelligence on Cross platforms

Thesis is to Introduce an Intelligent cross platform architecture with Multi-agent system in order to equip the simulation Models with agents, having intelligent behavior, reactive and pro-active nature and rational in decision making.

Multi-agent simulation of sawmill yard operations

This paper reports the findings of using multi-agent based simulation model to evaluate the sawmill yard operations within a large privately owned sawmill in Sweden, Bergkvist Insjön AB in the current case. Conventional working routines within sawmill yard threaten the overall efficiency and thereby limit the profit margin of sawmill. Deploying dynamic work routines within the sawmill yard is not readily feasible in real time, so discrete event simulation model has been investigated to be able to report optimal work order depending on the situations. Preliminary investigations indicate that the results achieved by simulation model are promising. It is expected that the results achieved in the current case will support Bergkvist-Insjön AB in making optimal decisions by deploying efficient work order in sawmill yard.

Agent-Based Hybrid Intelligent Systems: An Agent-Based Framework for Complex Problem Solving

Pt. I. Fundamentals of hybrid intelligent systems and agents -- 1. Introduction -- 2. Basics of hybrid intelligent systems -- 3. Basics of agents and multi-agent systems -- Pt. II. Methodology and framework -- 4. Agent-oriented methodologies -- 5. Agent-based framework for hybrid intelligent systems --6. Matchmaking in middle agents -- Pt. III. Application systems -- 7. Agent-based hybrid intelligent system for financial investment
planning -- 8. Agent-based hybrid intelligent system for data mining -- Pt. IV. Concluding remarks -- 9. The less the more -- App. Sample source codes of the agent-based financial planning system

Intelligent agent technology within information warfare

Research into Intelligent Agent (IA) technology and how it can assist computer systems in the autonomous completion of common office and home computing tasks is extremely widespread. The use oflA's is becoming more feasible as the functionality moves Into line with what users require for their everyday computing needs. However, this does not mean that IA technology cannot be exploited or developed for use in a malicious manner, such as within an Information Waifare (IW) scenario, where systems may be attacked autonomously by agent system implem-entations. This paper will discuss tne cilrrenlStcite Ofmalicious use of lA's as well as focusing on attack techniques, the difficulties brought about by such attacks as well as security methods, both proactive and reactive, that could be instated within compromised or sensitive systems.

A multi-agent framework for financial investment planning

If a company or person wants to invest a lot of money, where, when, and how should the investment go? A multi-agent based Financial Investment Planner may give some reasonable answers to the above question. Good advice is mainly based on adequate information, rich knowledge, and great
skills to use knowledge and information. To this end, this planner consists of four principal components information gathering agents that are responsible for gathering relevant information on the Internet, data mining agents that are in charge of discovering knowledge from retrieved information as well as other relevant databases, group decision making agents that can effectively use available knowledge and appropriate information to make reasonable decisions (investment advice), and a graphical user interface that interacts with users. This paper is focused on the group decision making part. The design and implementation of an agent-based hybrid intelligent system - agent-based soft computing society are detailed.

An agent-based hybrid framework for database mining

While knowledge discovery in databases (KDD) is defined as an iterative sequence of the following steps: data pre-processing, data mining, and post data mining, a significant amount of research in data mining has been done, resulting in a variety of algorithms and techniques for each step. However, a single data-mining technique has not been proven appropriate for every domain and data set. Instead, several techniques may need to be integrated into hybrid systems and used cooperatively during a particular data-mining operation. That is, hybrid solutions are crucial for the success of data mining. This paper presents a hybrid framework for identifying patterns from databases or multi-databases. The framework integrates these techniques for mining tasks from an agent point of view. Based on the experiments conducted, putting different KDD techniques together into the agent-based architecture enables them to be used cooperatively when needed. The proposed framework provides a highly flexible and robust data-mining platform and the resulting systems demonstrate emergent behaviors although it does not improve the performance of individual KDD techniques.

A reputation-based trust model for agent societies

Trust and security issues are prevalent in agent societies, where agents are autonomously owned and operated in a networked environment. Nowadays, trust and reputation management is a promising approach to manage them. However, many reputation models su.ered from a major drawback – there is no mechanism to discourage agents from lying information when making a recommendation. Although some works do take into account of this issue, they usually do not penalize an agent for making poor referrals. Worse, some systems actually judge an agents referral reputation based on its service reputation. In situations where this is unacceptable, we need to have a mechanism where agents are not only discouraged from making poor referrals, but are also penalized when doing so. Towards this, we propose a reputation-based trust model that considers an agents referral reputation as a separate entity within the broader sense of an agents reputation. Our objective is not to replace any existing reputation mechanisms, but rather to complement and extend them.

Insurance services in multi-agent systems

In a multi-agent environment, there is often the need for an agent to cooperate with others so as to ensure that a given task is achieved timely and cost-effectively. Present agent systems currently maximizes this through mechanisms such as trust and risk assessments. In this paper, we extend this mechanism by introducing the concept of insurance, in which the insurance agents act as a bridge between agents who require resources from others. Unlike traditional systems, agents purchase insurance so as to guarantee to have the requested resources during the task execution time and thus minimize the risk in task failure. The novelty of this proposal is that it ensures agents continuously to exchange resources and to seek maximum expected utility in a dynamic environment at the same time. Our experimental results confirm the feasibility of our approach.