Sistema Regional de Información
en línea para Revistas Científicas de América Latina,
el Caribe, España y Portugal

In the present study NBO method  contain the HOMO and the LUMO energies are calculated for 10 different heterocycles anticancer drug using B3LYP/6-31G(d,p). Frontier molecular orbitals (HOMO and LUMO) and Molecular Electrostatic Potential map of the compound was produced by using the π stacking of structures and anticancer activity of molecules. The NBO analysis was suggested that the molecular system contains π- π interaction, strong conjugative interactions and the molecule become more polarized owing to the movement of π-electron cloud from donor to acceptor. NBO, HOMO and LUMO energies, were investigated and Anticancer activity of Aromatic Heterocyclic compounds was investigated by NBO study and result was compared with our previous study about NICS and S-NICS of these 10 anticancer drug. the HOMO/LUMO gap of the heterocycle anticancer drug is significantly different from each other. The NBO method is used in both symmetric and asymmetric molecules and provides accurate information on the aromatics of the compound, especially the heterocyclic rings. It also provides accurate information in protected areas. Molecule 8 has the highest amount of HOMO and therefore aromaticity among the studied compounds which confirms the result of molecular orbital examination.

The relevance of the present study is due to the socio-environmental crisis phenomena, the tool to minimize which is the transition to sustainable development, declared by the President of Russia. The article deals with the problem of assessing the level of sustainable development of the Far Eastern territories of the Russian Federation in terms of compliance with environmental goals of sustainable development of the UN 11-15. The authors use methods of graphic analysis, construction of time series and rating evaluations to assess the level of sustainable development in terms of environmental protection indicators in the subjects of the Russian Far East. As a result of defining the criteria according to the developed scale, the authors conclude that only in 2 regions the level is defined as favorable. The environmental problems of the regions are noted, and the key directions of improving the environmental well-being of the territories under consideration are outlined. As a result, it is determined that the key to solving these problems can be introducing elements of circular economy in the modern economic system.

Centralized water supply in remote settlements is often difficult or impossible, so there is a need to use a non-centralized water supply. The article develops a method for an expert assessment of the negative change in the state of underground karst waters based on a paired analysis of complex indicators of the protection of the aquifer. To assess the vulnerability of non-centralized water supply sources, five factors are used, including the geological structure of the territory, the level of surface and underground runoff, the development of the karst network, precipitation regime electrical conductivity, and mineralization of groundwater. The test was performed using the method of inversely weighted distances (IDW). The vulnerability assessment of karst waters was carried out in the area of 10 key control points identified during the deployment of the hydrogeological control system in 2017. Based on various geological and hydrological indicators, the discrepancy between the vulnerability assessment of karst waters was no more than 15 %. The conditions under which it is advisable to use direct measurements or geoelectric methods to monitor karst groundwater's state are identified.

The main purpose of this article is to assess the level of trust in the Vladivostok State University of Economics and Service (after this referred to as VSUES) among business structures. To achieve this goal, the following research methods were used: information and comparative analysis, content analysis, survey method, expert assessments, rating, hierarchy analysis method, and index method. The information base of the research was made up of the mission and development strategy of the university, the analytical materials based on the monitoring results of the university effectiveness in 2016-2019, statistical and analytical information posted on federal and regional portals. After the step-by-step assessment, it was revealed which trust criteria of VSUES are insufficient and satisfactory. Based on the analysis of the calculation results, the proposals were formulated that contribute to entrepreneurs' trust level increase in the university.

The development of the digital economy in Russia lags behind the world leaders in this process. However, to become competitive in the digital space of the global economy, it is necessary to overcome this lag. This requires generalizing theoretical approaches and concepts of the digital economy in Russia and the world, tracking the evolution of views, approaches, and development prospects, analyzing the level of digitalization, digital competitiveness rating, indicators of the development of the digital economy's development and digital government. This was done in the article since the purpose of the study is to generalize theoretical approaches to the essence of the digital economy and the prospects for its growth from the point of view of evolution. Concerning findings of the study, the evolutionary stages of the development of the digital economy have been identified, SWOT analysis of the evolution of the digital economy in Russia has been carried out, a conceptual scheme for the digital transformation of business has been devised. The paper defines the essential elements of digital transformation and their relationship.

The article's main aim is to examine the role of organizational commitment mediation on career development and employee performance. This research is survey research, with a sample size of 82 selected with saturated samples. The results showed that quality of work-life and career development had a positive and significant effect on organizational commitment. Quality of work-life, career development and organizational commitment positively and significantly affect employee performance. Organizational commitment has not been able to mediate the indirect effect of quality of work life on employee performance. Organizational commitment has not mediated the indirect effect of career development on employee performance. It is recommended that the management organize Capacity building and family gathering activities to build teamwork among employees.

In Nicaragua, the knowledge of ecto and endo parasites in both fresh and salt water fish is scarce, having as the only references a study carried out by the Indian and Caribbean University of Bluefields (BICU), and another carried out by the CIDEA, both in the decade of the 90 ', therefore, the initiative arises to carry out this study in the Estuary Venado, located in the community of ¨Las Peñitas¨, in order to identify the main genera of parasites, both external and internal that affect the fish in the area, at the same time, have an updated reference in the west of the country. The study was developed between the months of July to September, having a sampling per month in three different sites of the Estuary, taking as a reference ¨El Rosario¨, until arriving in front of the Santa Lucia Island Facilities, a total of 72 fish, of which 38 fish presented parasites, including horse mackerel, lisa, snook, snapper and palometa, in which 7 genera of parasites were recorded, being the most relevant Ergasilus spp., followed by Capillaria sp., and the fish species with significant incidence is the Lisa in the first place, in turn it was found that of the three sites sampled the one with a high incidence of parasites was La Bocana, which indicates that the greater the human influence near the coasts, the higher the parasitic incidence in fish, since many of the genera have their life cycles in domestic terrestrial species.

The Gabrik River basin is located in the Makran zone in southeast of Iran. This basin is characterized by specific geomorphological features related to its geological characteristics and geographical location. The present study investigates the attempts to minimize the negative effects of sediment accumulation behind the Gabrik dam in this region. Therefore, the main objectives of this research are to study the geomorphological status of the basin and analyze the sensitivity of geological units to erosion. Investigation of geomorphological forms of the Gabrik basin indicates that the internal (tectonic) and external (erosion and sedimentary processes) dynamic processes have a significant role in the basin evolution.  The results could be used to identify the potential areas for erosion and sediment production. To estimate the sediment erosion and yield, the Gabrik basin was divided into two hydrological units (i.e., HU1 and HU2). Then, the required information to determine nine factors of the MPSIAC model and five factors of the FSM model were provided and determined for each unit. Afterward, the soil erosion maps were extracted in ArcGIS software. As a result, the rate of sediment yield from MPSIAC and FSM models was determined 4 and 6.23 tons per hectares, respectively. The findings of this research indicate the importance of tectonics, lithological units, and climate on erosion rate, sediment production, and geomorphology of the Gabrik basin. Also, according to the results from erosion maps, it was revealed that the soil erodibility in the Gabrik area is low to medium. So, in these areas, the implementation of soil and water conservation programs is essential.

This document analyzes some of the main topics and challenges that influence the causes of food and nutritional insecurity at the community level of the western region of Honduras, in the departments of Copan, Lempira and Ocotepeque, framed in health and environmental emergencies. of COVID-19 and Hurricane ETA and IOTA in Honduras, through the use of an applied survey, with the purpose of evaluating the impact and determining the needs of the population in terms of poverty, hunger and other basic needs, that this research serve to guide the policies and strategies of food and nutrition security, the development objectives are emphasized in the reconstruction of a vision of the country, which strengthens the different pillars of SAN, in the same way to provide through the findings a document that serves to find a methodology that establishes an input with the purpose of generating knowledge and at the same time with the results create awareness of the efficient conditions for increasing the coverage of interventions induced to the integration of continuous improvement strategies with respect to region 03 of the western part of the country in terms of topics such as health, education, productivity, safety, food sovereignty and pillars of food safety.

A physicochemical treatment system for surface water has been designed and manufactured to provide drinking water to remote areas that do not have access to basic service. The system consists of four main units; the first: pre-treatment, it filters the particles and sediments present in the water from a nearby surface source; the second unit: primary treatment; doses chemical inputs for coagulation and generation of flocs to sediment the particles as sludge and remove them later; the third secondary treatment unit; Filters microscopic particles and microbial or pathogenic agents and water is chlorinated to provide the required drinking quality according to regulations. The fourth unit, energy generation; It takes advantage of solar radiation and converts it into electrical energy so that the equipment operates properly. The results indicate that it is feasible to implement the proposed system to provide water suitable for human and in compliance with the standards of the current national regulations intended mainly for vulnerable communities.