Estudos das interações de quitosana/CTAB/C12E8

Surfactant-polymer interactions are widely used when required rheological properties for specific applications, such as the production of fluids for oil exploration. Studies of the interactions of chitosan with cationic surfactants has attracted attention by being able to cause changes in rheological parameters of the systems making room for new applications. The commercial chitosan represents an interesting alternative to these systems, since it is obtained from partial deacetylation of chitin: the residues sites acetylated can then be used for the polymer-surfactant interactions. Alkyl ethoxylated surfactants can be used in this system, since these non-ionic surfactants can interact with hydrophobic sites of chitosan, modifying the rheology of solutions or emulsions resultants, which depends on the relaxation phenomenon occurring in these systems. In this work, first, inverse emulsions were prepared from chitosan solution as the dispersed phase and cyclohexane as the continuous phase were, using CTAB as a surfactant. The rheological analysis of these emulsions showed pronounced pseudoplastic behavior. This behavior was attributed to interaction of "loops" of chitosan chains. Creep tests were also performed and gave further support to these discussions. Subsequently, in order to obtain more information about the interaction of chitosan with non-ionic surfactants, solutions of chitosan were mixed with C12E8 and and carried out rheological analysis and dynamic light scattering. The systems showed marked pseudoplastic behavior, which became less evident when the concentration of surfactant was increased. Arrhenius and KWW equations were used to obtain parameters of the apparent activation energy and relaxation rate distribution, respectively, to which were connected to the content of surfactant and temperature used in this work

Entendendo as propriedades do arenito Botucatu e sua utilização como meio poroso para estudos envolvendo o deslocamento de fluidos poliméricos

The development of products whose purpose is to promote blockages in high permeability zones as well as to control the hydrate or scale formation also needs some tests in porous media before using the product in the field, where attempts and unavoidable operational errors costs would able to derail any projects. The aim of this study was to analyze and compare the Botucatu and Berea sandstones properties, involving problems related to loss permeability. It was observed that even cores of Berea, without expansible clays in their composition had their permeability reduced, as soon as the salinity of brine reached a lower limit. As expected, the same happened with the Botucatu sandstone samples, however, in this case, the sensitivity to low salinity was more pronounced. In a second phase, the research was focused on the Botucatu Sandstone behavior front of dilute polymer solutions injection, checking the main relationships between the Rock / Fluid interactions, considering the Mobility Reduction, Resistance and Residual Resistance Factors, as well as adsorption/desorption processes of these polymers, and the polymer molecules average size and porous sandstone average size ratio. The results for both phases showed a real feasibility of using the Botucatu sandstone in laboratory tests whose objective is the displacement of fluids through porous media

Bolton freeware: aplicativo de avaliação de discrepância de massa dentária desenvolvido pelo programa de pós-graduação em odontologia/UFRN

The calculation of tooth mass discrepancy, essential for good planning and a proper orthodontic finishing, when performed manually, besides being laborious, requires considerable time consumption. The aim of this study was to develop and test Bolton Freeware, a software for analysis of the tooth mass discrepancy of Bolton, aiming to minimize the consumption of time in a less onerous way. The digital analysis of the software was done by means of two-dimensional scanning of plaster study models and compared to manual evaluation (gold standard), using 75 pairs of stone plaster study models divided into two groups according to the magnitude of the Curve of Spee (group I from 0 to 2 mm, group II greater than 2 to 3mm). All the models had permanent dentition and were in perfect condition. The manual evaluation was performed with a digital caliper and a calculator, and the time required to perform the analysis for both methods was recorded and compared. In addition, the software was evaluated by orthodontists regarding its use, by means of questionnaires developed specifically for this purpose. Calibration was performed prior to manual analysis, and excellent levels of inter-rater agreement were achieved, with ICC > 0.75 and r > 0.9 for total and anterior proportion. It was observed in the evaluation of error of the digital method that some teeth showed a significant systematic error, being the highest measured at 0.08 mm. The analysis of total tooth mass discrepancy performed by Bolton Freeware, for those cases in which the curve of Spee is mild and moderate, differ from manual analysis, on average, 0.09 mm and 0.07 mm respectively, for each tooth evaluated, with r> 0, 8 for total and anterior proportion. According to the specificity and sensitivity test, Bolton Freeware has an improved ability to detect true negatives, i.e. the presence of discrepancy. The Bolton analysis digitally performed was faster, with an average difference of time consumed to perform the analysis of Bolton between the two methods of approximately 6 minutes. Most experts interviewed (93%) approved the usability of the software

O Turismo como um tema de pesquisa: um diálogo epistemológico a partir das produções dos programas de pós-graduação stricto sensu da Universidade Federal do Rio Grande do Norte, no período de 2007 a 2011

The study consists in an analysis of researches with tourism issues, in Master s and Doctoral level, investigating their epistemological trends, regarding the type of study that is being produced and the methods used. It is characterized as exploratory, documental and bibliographical, having undertaken a cross-sectional study which covers the period from 2007 to 2011. It analyzes the context of academically production in tourism, the nature of these researches, the methodological aspects adopted in these theses and dissertations, the philosophical inclinations and the coherence and contribution of the same. This research uses, the Digital Library of Theses and Dissertations (BDTD) and the secretariats of the Academic Centers of the Federal University of Rio Grande do Norte (UFRN) as means to collect data. It employs the technique of sampling by judgment and undertakes the research in various Academic Centers in UFRN, using the method of content analysis. It shows that, from the 643 studies analyzed, 43 of them have themes related to tourism, which characterized this study sample. This study realizes that PPGA is the largest producer of researches on tourism issues, ahead of PPGTur, which ranks the third position, in this aspect. Also realizes that all surveys analyzed are crosssectional and the theme further investigated, with 21% of the sample, is related to the marketing aspects of tourism, with the theme Directors of Hotels and Restaurants (DHR) . This research demonstrates that all sample surveys make use of interviews, and these are, mostly, structured. Also realizes that most of these studies, with 21% of the sample, employ the method of content analysis. The references in Portuguese are surveyed about five times more than the ones in other languages. It estimates that more than half of the sample is characterized as positivist, associated with aspects of functionalism. A minority of 21% of these researches seeks to identify and recommend solutions to the tourism issues, or even represent part of them. This research concludes that the studies in tourism are mostly unifocal, being driven by issues related to the touristic trade. PPGTur produces a number still unrepresentative of studies. The theses and dissertations of the sample are limited and/or unable to analyze the changes of the phenomenon caused by the time. The studies from the sample present criteria and make use of other methods and techniques to associate with the interviews and content analysis to obtain more solid and reliable data and results. They use a low number of references in languages other than Portuguese. Most of these studies, characterized as positivist-functionalist, investigate the functioning, planning, coordination and expectations in organizations, leaving aside other issues, also relevant for tourism. The number of studies aimed at identifying solutions to the problems of tourism, or that even represents part of them, is not expressive

Sistema de aquisição de dados para estudos de transiente de pressão e detecção de vazamentos em oleodutos

In February 2011, the National Agency of Petroleum, Natural Gas and Biofuels (ANP) has published a new Technical Rules for Handling Land Pipeline Petroleum and Natural Gas Derivatives (RTDT). Among other things, the RTDT made compulsory the use of monitoring systems and leak detection in all onshore pipelines in the country. This document provides a study on the method for detection of transient pressure. The study was conducted on a industrial duct 16" diameter and 9.8 km long. The pipeline is fully pressurized and carries a multiphase mixture of crude oil, water and natural gas. For the study, was built an infrastructure for data acquisition and validation of detection algorithms. The system was designed with SCADA architecture. Piezoresistive sensors were installed at the ends of the duct and Digital Signal Processors (DSPs) were used for sampling, storage and processing of data. The study was based on simulations of leaks through valves and search for patterns that characterize the occurrence of such phenomena

Estudos sedimentológicos e o contexto estrutural da formação Serra do Martins, nos platôs de Portalegre, Martins e Santana/RN

This dissertation deals with sedimentological and structural framework of the siliciclastic rock of the Serra do Martins Formation (FSM) in the Portalegre, Martins and Santana plateau, located to the south of Potiguar Basin, in the southwest and central Rio Grande do Norte state. This formation, regarded as of Oligo-Miocene age based on intrusive relations of the Miocene Macau volcanics, has a still disputable age due to the lack of appropriate bio and/or chronostratigraphic markers. The FSSM deposits crop out along 650 to 750 m high plateau, as a remanescent sedimentary cover directly overlying topographically uplifted pre-cambrian crystalline rocks. During the last decades, these deposits were interpreted according to a Tertiary paleoclimatic evolutionary model, associated to pedogenetic processes. The sedimentological characterization of the FSM was done through a detailed study of its facies, petrography and diagenetic features. The facies study was based on description of field relations, textures and structures, the piling up of the strata and their lateral variations. The FSM was deposited by an anastomosing to coarse-meandering fluvial system, including deposits of lag, cannel-fill, ouver-bank and flood plain. The petrographic composition of the sediments, coupled to their facies and paleocurrent directions, suggest a rather distal sourcearea, to the south of the present plateau. The diagenetic study identified an incipient grain mechanical compaction, pronounced dissolution of the framework, matrix and/or cement components, intense precipitation of kaolinite, silic and, eventually, iron oxides, besides mechanical infiltration of the clays. Most of these events, regarded in the literature as associated to near-surface conditions (eo or telodiagenesis), indicate the FSM sediments were never deeply buried. Topographic relations along longitudinal and transversal sections reaching the Potiguar Basin to the north identified regional dips that allow to discuss stratigraphic correlations between the FSM and the basin formations. The sedimentological features of the different units and the intrusive relations of the Macau volcanics were also considered in these correlations,which support the Oligo-Miocene age previously accepted for the FSM. Concerning the tectonic framework of the FSM, this work investigated the pre-cambrian to cretaceous heritage and the cenozoic deformation, allowing the recognition of pre-, sin and post-FSM structures. The crystalline basement, belonging to the Seridó Belt, displays NE and WNW foliation trends related to the Brasiliano-age ductile shear zones. In this terrain, brittle-ductile and brittle NE- and NW-trending structures, associated with extensional joints filled with pegmatites and quartz veins, are related to an E-W compression by the end of Brasiliano Cycle. The E-W joints and NE-trending fractures were reactivated by N-S to N-S to NW extension during late Jurassic to Cretaceous times, controlling the emplacement of the Rio Ceará-Mirim basic dyke swarm and the opening of the Potiguar rift basin

Trissoralen um medicamento de baixa dosagem: estudos termoanalíticos da compatibilidade do fármaco-excipientes e determinação de parâmetros de qualidade para cápsulas magistrais

The trioxsalen (Tri) is a low-dose drug used in the treatment of psoriasis and other skin diseases. The aim of the study was applying the thermal analysis and complementary techniques for characterization, evaluation of the trioxsalen stability and components of manipulated pharmaceutical formulations. The thermal behavior of the Tri by TG/DTG-DTA in dynamic atmosphere of synthetic air and nitrogen showed the same profile with a melting peak followed by a volatilization-related event. From the curves TG / DTG is observed a single stage of mass loss. By heating the drug in the stove at temperatures of 80, 240 and 260 °C, it had no change in chemical structure through the techniques of XRD, HPLC, MIR, OM and SEM. From the non-isothermal and isothermal TG kinetic studies was possible to calculate the activation energy and reaction order for the Tri. The drug showed good thermal stability. Studies on drug-excipient compatibility showed interaction of trissoralen with sodium lauryl sulfate 1:1. There was no interaction with aerosol, pregelatinized starch, sodium starch glycolate, cellulose, croscarmellose sodium, magnesium stearate, lactose and mannitol.The characterization of three trioxsalen formulations at concentrations of 2.5, 5, 7.5, 10, 12.5 and 15 mg was performed by DSC, TG / DTG, XRD, NIR and MIR. The PCA classification method based on spectral data from the NIR and MIR of trissoralen formulations allows successful differentiation into three groups. The formulation 3 was the one that best showed analytical profile with the following composition of aerosil excipients, pre-gelatinized starch and cellulose. The activation energy of the volatilization process of the drug was determined in binary mixtures and formulation 3 through fitting and isoconversional methods. The binary mixture with sodium starch glycolate and lactose showed differences in kinetic parameters compared to the drug isolated. The thermoanalytical techniques (DSC and TG / DTG) were shown to be promising methodologies for quantifying trioxsalen obtained by the linearity, selectivity, no use solvents, without sample preparation, speed and practicality.

Espessura da zona de transição do manto sob a Província Borborema, NE Brasil, através de conversões Ps telessísmicas

The mantle transition zone is defined by two seismic discontinuities, nominally at 410 and 660 km depth, which result from transformations in the mineral olivine. The topography of these discontinuities provides information about lateral temperature changes in the transition zone. In this work, P-to-S conversions from teleseismic events recorded at 32 broadband stations in the Borborema Province were used to determine the transition zone thickness beneath this region and to investigate whether there are lateral temperature changes within this depth range. For this analysis, stacking and migration of receiver functions was performed. In the Borborema Province, geophysical studies have revealed a geoid anomaly which could reflect the presence of a thermal anomaly related to the origin of intraplate volcanism and uplift that marked the evolution of the Province in the Cenozoic. Several models have been proposed to explain these phenomena, which include those invoking the presence of a deep-seated mantle plume and those invoking shallower sources, such as small-scale convection cells. The results of this work show that no thermal anomalies are present at transition zone depths, as significant variations in the transition zone thickness were not observed. However, regions of depressed topography for both discontinuities (410 and 660 km) that approximately overlap in space were identified, suggesting that lower-thanaverage, lateral variations in seismic velocity above 410 km depth may exist below the the Borborema Province. This is consistent with the presence of a thermally-induced, low-density body independently inferred from analysis of geoid anomalies. Therefore, the magma source responsible for the Cenozoic intraplate volcanism and related uplift in the Province, is likely to be confined above the upper mantle transition zone.

Medida de uma codificação de estímulos sonoros por potenciais pós-sinápticos e potenciais de campo local usando teoria da informação

Coding process is a fundamental aspect of cerebral functioning. The sensory stimuli transformation in neurophysiological responses has been a research theme in several areas of Neuroscience. One of the most used ways to measure a neural code e ciency is by the use of Information Theory measures, such as mutual information. Using these tools, recent studies show that in the auditory cortex both local eld potentials (LFPs) and action potential spiking times code information about sound stimuli. However, there are no studies applying Information Theory tools to investigate the e ciency of codes that use postsynaptics potentials (PSPs), alone and associated with LFP analysis. These signals are related in the sense that LFPs are partly created by joint action of several PSPs. The present dissertation reports information measures between PSP and LFP responses obtained in the primary auditory cortex of anaesthetized rats and auditory stimuli of distinct frequencies. Our results show that PSP responses hold information about sound stimuli in comparable levels and even greater than LFP responses. We have also found that PSPs and LFPs code sound information independently, since the joint analysis of these signals did neither show synergy nor redundancy.

Retrofit energético em edifícios de interesse histórico estudos de casos - edifícios modernistas em Natal

This paper addresses the theme of retrotif applied to buildings that belong to the modernist architectural production of historical interest located in the urban area of Natal . The overall objective is to identify and harmonize procedures for retrofit and architectural heritage preservation using elements of constructive analysis of expression and Benefit Cost Ratio ( BCR ) parameters established by the National Electric Energy Agency - ANEEL . The hypothesis put forward is that by stimulating the projetual year analysis , retrofit interventions , it is possible to obtain better results with projects RCB addressing the issues of preservation of architectural heritage . For both flow analysis of process solutions and proposals for action of elements and systems that seek to improve the energy performance of the building , restoring or preserving the architectural elements were developed . The proposed interventions undergo performance through computer simulations of systems such as DesignBuilder, Solar and Sun Tool. The energy results were converted to the analysis of RCB parameter and compared to the constructive expression of the project because the prenatal and intervention. From the results , a plot was constructed which results in a comparison between the RCB and the constructive expression of the simulated interventions

Extração do corante do fruto de castanhola (Terminalia catappa Linn) e estudos dos seus compostos fenólicos, antocianinas e atividade antioxidante

The Terminalia catappa Linn belonging to Combretaceae family, popularly known as castanets, has fruits consists of a fleshy pulp, rounded seed and a very hard shell. The natural pigmentation existing in the fruit of castanet indicates the presence of anthocyanins, phenolic nature components belonging to the group of flavonoids, which have antioxidant activity. This research was conducted with the castanets and aimed to the study of factors influencing the extraction of dyes from its pulp. The extracts were obtained using a reactor enjaquetado by solid-liquid extraction. The factors were evaluated as temperature, time, solvent ratio and pH extraction. Adopting a factorial design of 24 , with 4 repetitions at the central point, the effects of these factors on the extraction process were analyzed using Statistica 7.0 software. The antioxidant activity (AA), the content of phenolic compounds (CFT) and the total monomeric anthocyanin content (AMT) were evaluated as response variables planning. Statistical analysis of the results, the effects that influenced the extraction were different for each response (CFT, AMT and AA). However, the pH was significant for the extraction of all compounds. The kinetic behavior of the dye extraction was also studied for phenolic compounds, monomeric anthocyanins and antioxidant activity, in which the equilibrium was reached after 90 minutes of extraction. To study the stability of anthocyanins temperature was the factor that most influenced the stability, however the concentration and pH also played a part.

Areia sob os pés da alma: uma leitura da vida e obra de Oswaldo Lamartine de Faria

This study followed the development of Oswaldo Lamartine de Faria as an intellectual, with the aim of establishing the emergence of that de Faria’s work under the umbrella of the sertão (hinterland) in Northeast Brazil. It accompanied the emergence of the researcher, his discovery of his mission to study the sertão in Seridó and the vital importance of his relationship with Luís da Câmara Cascudo, since despite being a natural born observer, Oswaldo Lamartine embarked on a career as a researcher after encouragement by Cascudo. The first chapter of this study, denominated The Gates of Time, portrays the country during the drought of 1919, the year Lamartine was born. It describes his childhood and first encounters with Câmara Cascudo; his urban exile in Rio de Janeiro; the books written by the young Oswaldo, those that came later, and his definitive return to the state of Rio Grande do Norte. The following two chapters, Sand beneath the Feet of the Soul and Images of a Nobleman from the Sertão, summarize Lamartine’s books and describe his entry into the canon of the state’s culture, with particular prominence given to his interview for the documentary “Oswaldo Lamartine: prince of the sertão”, highlighting his attempt (through his writing) to preserve his own existence. In the second section, Verses, Bold, Between the Lines features analyses of texts dedicated to Oswaldo Lamartine, such as those written by de Zila Mamede, Maria Lúcia Dal Farra and Paulo de Tarso Correia de Melo. The next chapter, entitled Warm and Vivid Ashes, highlights Lamartine’s correspondence with Luís da Câmara Cascudo and the incredible friendship between the two researchers. Cascudo’s letters are analyzed through the book De Cascudo para Oswaldo (From Cascudo to Oswaldo) and and are a powerful testimony of Oswaldo Lamartine’s permanent connection to Rio Grande do Norte. In conclusion, the final chapter entitled Combine, Tattoo, Imprint analyzes the writer’s five-book collection entitled Sertões do Seridó (Hinterlands of Seridó). In reading each of these, it becomes clear that observing reality was vital to the writer’s work. This is one of the first studies to be conducted about Oswaldo Lamartine at the Federal University of Rio Grande do Norte and its main theoretical references were the reflections of authors Jacques Le Goff (2003), Lejeune (1994; 2008), Maurice Blanchot (1987; 2005), Alfredo Bosi (1987) and Gaston Bachelard (n.d.).

Características psicológicas do paciente obeso grave e suas implicações pós-operatórias na cirurgia bariátrica

Obesity is a chronic disease that has multi-factorial aetiology, characterized by high degree of body fat; the degree of obesity will vary according to the Body Mass Index (BMI=m2 /kg). The severe degree of obesity is characterized by BMI>40 and it is regularly associated to endocrine-metabolic or mechanic clinical alterations, and to psychological disorders. Binge Eating (BE) results were overly high for this population. The Bariatric Surgery has been the treatment chosen by those diagnosed with severe obesity as this intervention provides prompt outcomes for loss of weight and clinical improvement conditions. However, recent research has acquiesced that after two years between 20% and 30% of people subject to this intervention gained weight. The main objective of this research is to assess the psychological and behavioral characteristics of those diagnosed with severe obesity that have been subject to Gastric Bypass Surgery in the past 24 months. Specific aspects were investigated: (1) characteristics of different personalities and diagnose of clinic and personality disorders; (2) BE and its relation with loss of weight; (2) the difference between the groups regarding post-surgery care, e.g. physical activity, psychological and dietician input. Method: 40 adults (women and men) aged 23 and 60 year-old who went through a bariatric surgery in the past 24 months, in the city of Natal-RN (Brazil); they were assembled in two groups n=20, Gain group displaying loss of < 50% of their initial surplus of weight, and the Loss group displaying loss of >50%. The research protocol is made of a socio-demographic questionnaire and 3 psychometric instruments: Rorschach – Comprehensive System; Millon Personality Inventory (MCMI-III); and the Binge Eating Scale (Escala de Compulsão Alimentar Periódica (ECAP). Through Rorschach significant differences between these groups were verified according to the kind of personality (EB) - more EB Extratensivo in Gain group and Intratensivo in Loss group – and the lack of control to express affect, increasing the answer for Color Pure at Group I. Concerning the people standardization, the sample as a whole tends to show psychic pain, denigrated selfperception, high levels of self-criticism, distorted perceptions, vulnerability to develop mood disorders and high scores regarding Suicide. MCMI-III results showed more clinic and personality disorders in Group I: Depressive Disorder and Schizotypal, Anxiety, Dysthymia, Major Depressive Disorder; Thought Disorder, Bipolar- Manic and Posttraumatic Stress Disorder. In relation to ECAP, the results indicated significant differences, showing increased BE results in Gain group. There were found significant differences between BE severity and the presence of clinic and personality disorders. Concerning the post-surgery care, the observed differences are statistically significant regarding physical activities with median-increased differences in Loss group. There is a difference between the initial weight and the time post-surgery, indicating that the higher the initial weight and the time after the surgery the higher the re-gain of weight post-surgery. Finally, the results show that the participants with more than 3 years of surgery will have Clinic and Major Depressive Disorders; Somatoform Disorder; Dysthymia. These results confirm prior studies related to BE post-surgery and re-gain of weight as well as the proneness of clinic disorders in severe obesity people. That means the results reinforce that the surgery process is a facet of the severe obesity treatment. The post-surgery process needs to be the main focus of attention and have a long-term input to sustain the care of the surgery results and the quality of life of the patients.

Estudos de distúrbios ionosféricos propagantes de larga escala (LSTID’S) na região equatorial durante grandes tempestades magnéticas: estudo de casos

The Ionospheric Disturbances – TIDs – are irregularities on the ionospheric plasma propagating in speeds in the order of tens to a few hundreds of meters per second. This present study detected and characterized the TIDs of LSTIDs (Large Scale Travelling Ionospheric Disturbance) type at low latitudes during intense geomagnetic storms and its propagation over the Brazilian sector. This work also shows as being the first to report systematically propagation of gravity waves over Natal. For this purpose, we used ionospheric records obtained from type of digisonde CADI (Canadiam Advanced Digital Ionosonde) located in Natal and the type DSP (Digisonde Portable Souder) located in Cachoeira Paulista, Fortaleza and São Luis, whereupon we used a dataset of 12 years collected by INPE (National Institute of Space Research). In this study, both calm days, that preceded the storms, and the geomagnetically disturbed days were related during the years 2000 and 1012, which cover a period of maximum and minimum solar activity. And it is presented the variations that happened in the electron density from region F of the ionosphere over the Brazilian sector, especially near the Equator (Natal, Fortaleza and São Luis), caused by ionospheric disturbances in the equatorial region during intense geomagnetic storms, because, as we know of the literature in this area, this phenomenon contributes positively to the emergence of LSTIDs in the auroral region, which may move to the equatorial region where a few cases have been documented and studied systematically. From the observation of signatures if TIDs in ionogram records, a study of the morphology of these events was performed and compared with the main characteristics of the wave of this phenomenon during great magnetic storms, i.e., DST <(-200 nT) and KP > 6. Thus, we obtained the main characteristics of TIDs over our region, i.e., period, vertical wavelength, phase and propagation speed, as well as the delay of these disturbances compared to the beginning of the magnetic storms to the Brazilian Sector.

Novos protocolos teóricos utilizados nos estudos das ligações hidrogênio-hidrogênio, na estabilidade do tetraedrano, seus derivados e das reações de diels-alder e na quantificação da afinidade de fármacos

This thesis was performed in four chapters, at the theoretical level, focused mainly on electronic density. In the first chapter, we have applied an undergraduate minicourse of Diels-Alder reaction in Federal University of Rio Grande do Norte. By using computational chemistry tools students could build the knowledge by themselves and they could associate important aspects of physical-chemistry with Organic Chemistry. In the second chapter, we studied a new type of chemical bond between a pair of identical or similar hydrogen atoms that are close to electrical neutrality, known as hydrogen-hydrogen (H-H) bond. In this study performed with complexed alkanes, provides new and important information about their stability involving this type of interaction. We show that the H-H bond playing a secondary role in the stability of branched alkanes in comparison with linear or less branched isomers. In the third chapter, we study the electronic structure and the stability of tetrahedrane, substituted tetrahedranes and silicon and germanium parents, it was evaluated the substituent effect on the carbon cage in the tetrahedrane derivatives and the results indicate that stronger electron withdrawing groups (EWG) makes the tetrahedrane cage slightly unstable while slight EWG causes a greater instability in the tetrahedrane cage. We showed that the sigma aromaticity EWG and electron donating groups (EDG) results in decrease and increase, respectively, of NICS and D3BIA aromaticity indices. In addition, another factor can be utilized to explain the stability of tetra-tert-butyltetrahedrane as well as HH bond. GVB and ADMP were also used to explain the stability effect of the substituents bonded to the carbon of the tetrahedrane cage. In the fourth chapter, we performed a theoretical investigation of the inhibitory effect of the drug abiraterone (ABE), used in the prostate cancer treatment as CYP17 inhibitor, comparing the interaction energies and electron density of the ABE with the natural substrate, pregnenolone (PREG). Molecular dynamics and docking were used to obtain the CYP1ABE and CYP17-PREG complexes. From molecular dynamics was obtained that the ABE has higher diffusion trend water CYP17 binding site compared to the PREG. With the ONIOM (B3LYP:AMBER) method, we find that the interaction electronic energy of ABE is 21.38 kcal mol-1 more stable than PREG. The results obtained by QTAIM indicate that such stability is due a higher electronic density of interactions between ABE and CYP17