In the field of chemical reactivity, quantum chemistry is an essential complement to experimentation, and has become an important tool for studying the stereo selectivity of concerted reactions. Quantum methods are used to solve problems relating to structure and chemical reactivity. Ibuprofen containing derivatives represent one of the most important heterocycles in drug molecules. Variously substituted ibuprofen derivatives bear a variety of functional groups and display versatile biological activities. Therefore, they have gained considerable attention in the field of medicinal chemistry. In this paper, Ibuprofen and paracetamol are optimized by computational DFT that include B3LYB, CAM-B3LYP, HSEH1PBE, HCTH and WB97XD of theory and ionization potential (IP), electron affinity (EA), and other MDs are determined. Further, non-linear optical (NLO) descriptors such as dipole moment (DM) and polarizability (α) are also determined.
Numerous studies have proved that it is possible to significantly improve the quality of disease prediction using modern mathematical methods and information technologies to solve these problems. Recently, the use of modern information and intelligent technologies has become a critical factor in the development of most branches of knowledge and areas of practical activity, therefore, the development and implementation of automated systems in medicine is one of the urgent scientific and technical problems.
In this regard, there is a need to develop and implement modern intellectual and information technologies in the tasks of disease prediction using a mathematical apparatus and computational algorithms that can improve the quality of disease prediction.
Use of mobile devices for performance of corporate tasks becomes more and more widespread way of increase in overall performance of the enterprise. Need to accelerate considerably and to effectively organize work of all organization is the main objective of use of technologies of corporate mobility. For this purpose, it is necessary to choose information network (mobile network operator), mobile devices, and means of authentication of the user (for safety of data).
The analysis of opportunities of use of mobile technologies and technical means in production and administrative activity of the enterprises was a research objective.
The analysis of cover zones and tariff plans of various operators of cellular networks was made for definition of opportunities of implementation of technologies of corporate mobility on the example of the territory of Krasnodar region. The most suitable suppliers of cellular communication in the region were also defined.
The analysis of the technical means necessary for realization of mobile solutions and the analysis of means of authentication of users, which allow providing data protection from strangers was executed within the research.
It is shown that use of mobile technologies in management of the companies will expand functionality of business processes at the enterprise, will promote increase in overall performance, growth of competitiveness.
The article studies the concept of Smart city, which relies on the introduction of a set of technical, communication and information solutions into the infrastructure of a modern city in order to ensure a high quality of life for the urban community. The analysis of the specifics of developing a strategic line for the implementation of this concept in Russia is carried out.
The work is devoted to the development of a general algorithm for the dynamic management of the activity of the service of the physical protection of information in the ASDP. For the effective implementation of the activities of the service of protection offered a universal flowchart of the psycho-heuristic program for the formation of directories of malicious actions, protection tasks and remedies. Regular use of the psycho-heuristic program in the service of protection provides the following: 1) training of the service of protection; 2) actualization of existing directories: malicious actions, tasks and remedies.
One of the most significant tasks of educational system is that it still exists by itself separately from the knowledge holders (teachers, educator) and the students themselves. Education problems still lie in the fact that:
a. Student’s education is shaped by the entire ecological system, which is included in accordance with the goals and objectives set for it, including all informational means of influence on its governing bodies: for example, through radio and television broadcasting programs, films, show programs, music programs and advertisements.
b. Each information tool has certain psychedelic effects.
c. Students have different education levels. The goals and objectives for the student at the initial education stage are set by the teachers and their parents. They may not coincide and even contradict each other. For the stable existence of a specific ecological system and student, it is necessary not only to take into account the positive and negative psychedelic effects of all public events and to strictly control them, but also to use them purposefully.
d. Getting an education by student and raising him have paramount importance for the ecological system stability in which he is located. Important role plays psychedelic effects of all types of informational influence.
In this article will be explore the concepts – data, description, information, model, information technology in education, knowledge, cognition, ecological system, etc.
It was considered students education and its various levels at different stages of life in accordance with their goals and objectives.
The ecological system effects on the level of education received by students will be studied.
We studied the sources of knowledge and means of education, depending on the permissible level of education.
Modern information technologies allow modeling any complex systems, which means that it is possible to model the educational process and further analysis, development, etc. The use of such technologies would be allow to form several educational models simulate and calculate the effects of their implementation.
The technique of graphical formalization of difficult textual records with standard and legal content based on the process approach in management is offered in work. The document is presented in the form of business processes with the subsequent automatic generation of procedural documents for participants of the procedure of tender for replacement of a vacant post: duty regulations, regulations of business processes, responsibility matrixes.
Thanks to actual duty regulations, constructed based on actual business processes, each performer has opportunity accurately to carry out the duties in the specified terms, with full understanding of their importance and the responsibility.
The article examines the specifics of entering the elderly in the information civilization. There is considered the adaptation mechanisms for successful ageing. There are highlighted the priorities in the use of modern information and communication technologies and their impact on the social activity of the elderly. It is noted that informational competence of older people broadens one's horizons, the emergence of new meanings of life, increase of social status. The authors argue that the involvement of a large number of older people in the process of informatization, learning to work on a computer, use of the Internet in everyday life leads to an increase in social activity, feeling of self-worth.
The work deals with the problem of the substantiation of structure and technological schemes of functioning of systems of information protection in automated systems of information protection in automated data processing systems.
The problem of determining the optimal technological scheme for the operation of a GIS is considered. The problem is solved using the method of fuzzy dynamic programming. The conditionality of the application of this method is given in the text of the paper.
In the article features of application of the program package Microsoft Excel at stages of sociological research are considered. A specific example shows the features of the software package when creating a database of questionnaire results, to study the sociological portrait of applicants of secondary special educational institutions in the South of Russia in TOP-50 specialties. Based on the created databases, applying the capabilities of Microsoft Excel, processed the results of the study and built diagrams.
This paper concerns simulation of protocell self-assembly in the approximation, which regards this process as a cooperative interaction of multi-agent structures – molecules that form supramolecular assemblies of the protocell ultrastructure, capable of mutual recognition, adaptability, directed activity during self-assembly, which satisfies the definition of intelligent agents in self-organizing network.
Features of passive identification of control objects by Estimation tools in MATLAB environment are considered. A concrete example of identification is given. Some recommendations for limitation are determined. Sequence of operations in Estimation tools in MATLAB for passive identification are described.
The automated information systems of support decision are the anformation basis of the automated systems of monitoring, forecasting and management of natural processes in coastal sea regions.
All information on the processes happening in the region has to gather in the form of multi-purpose databases of indicators, parameters, criteria for evaluation of processes, calculation procedures and the analysis of the indicators grouped in spheres of activity; and knowledge bases of experts in various areas of ecological management; and database of standard decisions.
Structures of thematic databases (Storages of data) on the main processes in environment of the coastal region, databases of indicators of these processes and criteria for evaluation of a situation on the main spheres of regional activity are proved in article.
The technology of storage of numerous and various data is offered based on OLAP-technology in the form of multidimensional cubes.
The comparative analysis of the market of information systems existing in the market allowing to automate activity of educational institutions is submitted. Article is useful to experts at a choice of a way of the organization of functioning of the main working processes of Higher education institutions on the basis of modern computer technology.
The article considers the representatives of corporate information systems. It is revealed that each system has its advantages and disadvantages, which one you should use in your organization – determine the objectives of the automation and the resources of the customer.
The article analyzes the spatial information modeling as a tool to solve applied problems. The article reveals the multidimensional nature of this simulation. This article describes the main groups of spatial information modeling. This article describes the contents of the main characteristics of this simulation. This article describes the relationship of spatial models with intelligent models. This article describes the features of solving problems with the use of spatial models.
The article examines the features of 3D-modeling, provides an overview of applications of three-dimensional graphics, analysis of the most popular universal 3D editors. It is noted that when working with three-dimensional graphics researcher, designer, painter require a high level of development of a particular type of mental activity - spatial thinking. Particular attention is paid to the possibilities of professional Cinema 4D package. It describes the stages of the process of creating three-dimensional scenes “elephant in a china shop” in an environment Cinema 4D.
The aim of this empirical research was to explore the perception of computer knowledge and skills of student’s colleges and professors in the context of their development. The research was carried out during the 2012th in colleges of Belgrade, Serbia. It included 650 students and 130 professors. High levels of objectivity of self-evaluation of informants' own computer knowledge and skills have be confirmed by recent empirical research, which is why the same procedure was used in this research as well. The most significant contexts and/or ways of developing computer knowledge and skills were identifying by informants' picking out a context/way they personally believed to have been the most important for them. Analyses of results have shown that student’s responses differ from professor’s responses with regard to the self-evaluated levels of computer knowledge and skills. The two groups of informants also identify different contexts as most significant for the development of their knowledge and skills.
The article presents the analysis of information in higher education; the problems and principles of a universities informatization; the basic tasks that should be aimed at creating a corporate information environment of the university.
The article offers a perspective, an effective and relatively simple method based on the joint use of technologies of anonymity TOR and secure information exchange VRN, the use of which will allow the anonymous "surfing" on the Internet and to actively influence the information resursy having access to the global information and telecommunications network the Internet.
In work questions of automation of quality management system on the basis of technologies which are realized in the Russian Business Studio and Elma packages are considered. For the optimized business processes executives and key indicators with the subsequent automatic generation of procedural documentation, accumulation of data on dynamics of indicators for monitoring and the analysis, remote access on the Internet of users and generation of the executed processes (BPM systems) are fixed.
Decision-making of any scale in the conditions of uncertainty is based that probabilities of various options of development of events are unknown. In this case the decision-maker is guided, on the one hand, by the risk preference, and with another — criterion of a choice from all alternatives on the made "matrix of decisions". Adoption of decisions in the conditions of uncertainty is based that each situation of succession of events the chance of its implementation can be set. It allows to weigh each of values of efficiency and to choose a situation with the smallest risk level for realization. It is possible to carry out an assessment of each situation with application of information technologies. For implementation administrative solved this idea it is also put in article basis.