Search results for: Gabriela Chmelikova
51 Advanced Driver Assistance System: Veibra
Authors: C. Fernanda da S. Sampaio, M. Gabriela Sadith Perez Paredes, V. Antonio de O. Martins
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Today the transport sector is undergoing a revolution, with the rise of Advanced Driver Assistance Systems (ADAS), industry and society itself will undergo a major transformation. However, the technological development of these applications is a challenge that requires new techniques and great machine learning and artificial intelligence. The study proposes to develop a vehicular perception system called Veibra, which consists of two front cameras for day/night viewing and an embedded device capable of working with Yolov2 image processing algorithms with low computational cost. The strategic version for the market is to assist the driver on the road with the detection of day/night objects, such as road signs, pedestrians, and animals that will be viewed through the screen of the phone or tablet through an application. The system has the ability to perform real-time driver detection and recognition to identify muscle movements and pupils to determine if the driver is tired or inattentive, analyzing the student's characteristic change and following the subtle movements of the whole face and issuing alerts through beta waves to ensure the concentration and attention of the driver. The system will also be able to perform tracking and monitoring through GSM (Global System for Mobile Communications) technology and the cameras installed in the vehicle.Keywords: advanced driver assistance systems, tracking, traffic signal detection, vehicle perception system
Procedia PDF Downloads 15450 Impact of Different Tillage Practices on Soil Health Status: Carbon Storage and Pools, Soil Aggregation, and Nutrient Use
Authors: Denis Constantin Topa, Irina Gabriela Cara, Gerard Jitareanu
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Tillage is a fundamental soil practice with different soil disturbance intensities and unique implications in soil organic carbon, soil structure, and nutrient dynamics. However, the implication of tillage practice on soil organic carbon and soil health is complex and specific to the context. it study evaluated soil health status based on soil carbon sequestration and pools, soil aggregation, and nutrient use under two different tillage practices: conventional and minimum tillage. The results of our study are consistent with the hypothesis that, over time, minimum tillage typically boosts soil health in the 0-10 cm soil layer. Compared to the conventional practice (19.36 t C ha-1) there was a significant accumulation of soil organic carbon (0-30 cm) in the minimum-tillage practice (23.21 t C ha-1). Below 10 cm depth, the soil organic carbon stocks are close to that of the conventional layer (0-30 cm). Soil aggregate stability was improved under conservative tillage, due to soil carbon improvement which facilitated a greater volume of mesopores and micropores. Total nitrogen (TN), available potassium (AK) and phosphorus (AP) content in 0-10 cm depth under minimum-tillage practice were 26%, 6% and 32%, greater respectively, compared to the conventional treatment. Overall, the TN, AP and AK values decreased with depth within the soil profiles as a consequence of soil practice and minimum disturbance. The data show that minimum tillage is a sustainable and effective management practice that maintain soil health with soil carbon increase and efficient nutrient use.Keywords: minimum tillage, conventional tillage, soil organic carbon, nutrients, soil aggregation, soil health
Procedia PDF Downloads 949 Possibilities of Psychodiagnostics in the Context of Highly Challenging Situations in Military Leadership
Authors: Markéta Chmelíková, David Ullrich, Iva Burešová
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The paper maps the possibilities and limits of diagnosing selected personality and performance characteristics of military leadership and psychology students in the context of coping with challenging situations. Individuals vary greatly inter-individually in their ability to effectively manage extreme situations, yet existing diagnostic tools are often criticized mainly for their low predictive power. Nowadays, every modern army focuses primarily on the systematic minimization of potential risks, including the prediction of desirable forms of behavior and the performance of military commanders. The context of military leadership is well known for its life-threatening nature. Therefore, it is crucial to research stress load in the specific context of military leadership for the purpose of possible anticipation of human failure in managing extreme situations of military leadership. The aim of the submitted pilot study, using an experiment of 24 hours duration, is to verify the possibilities of a specific combination of psychodiagnostic to predict people who possess suitable equipment for coping with increased stress load. In our pilot study, we conducted an experiment of 24 hours duration with an experimental group (N=13) in the bomb shelter and a control group (N=11) in a classroom. Both groups were represented by military leadership students (N=11) and psychology students (N=13). Both groups were equalized in terms of study type and gender. Participants were administered the following test battery of personality characteristics: Big Five Inventory 2 (BFI-2), Short Dark Triad (SD-3), Emotion Regulation Questionnaire (ERQ), Fatigue Severity Scale (FSS), and Impulsive Behavior Scale (UPPS-P). This test battery was administered only once at the beginning of the experiment. Along with this, they were administered a test battery consisting of the Test of Attention (d2) and the Bourdon test four times overall with 6 hours ranges. To better simulate an extreme situation – we tried to induce sleep deprivation - participants were required to try not to fall asleep throughout the experiment. Despite the assumption that a stay in an underground bomb shelter will manifest in impaired cognitive performance, this expectation has been significantly confirmed in only one measurement, which can be interpreted as marginal in the context of multiple testing. This finding is a fundamental insight into the issue of stress management in extreme situations, which is crucial for effective military leadership. The results suggest that a 24-hour stay in a shelter, together with sleep deprivation, does not seem to simulate sufficient stress for an individual, which would be reflected in the level of cognitive performance. In the context of these findings, it would be interesting in future to extend the diagnostic battery with physiological indicators of stress, such as: heart rate, stress score, physical stress, mental stress ect.Keywords: bomb shelter, extreme situation, military leadership, psychodiagnostic
Procedia PDF Downloads 9048 Isoflavone and Mineral Content in Conventional Commercial Soybean Cultivars and Transgenic Soybean Planted in Minas Gerais, Brazil
Authors: Renata Adriana Labanca, Gabriela Rezende Costa, Nilton de Oliveira Couto e Silva, José Marcos Gontijo Mandarino, Rodrigo Santos Leite, Nilson César Castanheira Guimarães, Roberto Gonçalves Junqueira
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The objective of this study was to evaluate the differences in composition between six brands of conventional soybean and six genetically modified cultivars (GM), all of them from Minas Gerais State, Brazil. We focused on the isoflavones profile and mineral content questioning the substantial equivalence between conventional and GM organisms. The statement of compliance label for conventional grains was verified for the presence of genetic modified genes by real time polymerase chain reaction (PCR). We did not detect the presence of the 35S promoter in commercial samples, indicating the absence of transgene insertion. For mineral analysis, we used the method of inductively coupled plasma-optical emission spectrometry (ICP-OES). Isoflavones quantification was performed by high performance liquid chromatography (HPLC). The results showed no statistical difference between the conventional and transgenic soybean groups concerning isoflavone content and mineral composition. The concentration of potassium, the main mineral component of soy, was the highest in conventional soybeans compared to that in GM soy, while GM samples presented the highest concentrations of iron.Keywords: glycine max, genetically modified organism, bioactive compounds, ICP-OES, HPLC
Procedia PDF Downloads 45547 Road Traffic Accidents Analysis in Mexico City through Crowdsourcing Data and Data Mining Techniques
Authors: Gabriela V. Angeles Perez, Jose Castillejos Lopez, Araceli L. Reyes Cabello, Emilio Bravo Grajales, Adriana Perez Espinosa, Jose L. Quiroz Fabian
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Road traffic accidents are among the principal causes of traffic congestion, causing human losses, damages to health and the environment, economic losses and material damages. Studies about traditional road traffic accidents in urban zones represents very high inversion of time and money, additionally, the result are not current. However, nowadays in many countries, the crowdsourced GPS based traffic and navigation apps have emerged as an important source of information to low cost to studies of road traffic accidents and urban congestion caused by them. In this article we identified the zones, roads and specific time in the CDMX in which the largest number of road traffic accidents are concentrated during 2016. We built a database compiling information obtained from the social network known as Waze. The methodology employed was Discovery of knowledge in the database (KDD) for the discovery of patterns in the accidents reports. Furthermore, using data mining techniques with the help of Weka. The selected algorithms was the Maximization of Expectations (EM) to obtain the number ideal of clusters for the data and k-means as a grouping method. Finally, the results were visualized with the Geographic Information System QGIS.Keywords: data mining, k-means, road traffic accidents, Waze, Weka
Procedia PDF Downloads 41646 Effect of Convective Dryness Combined with Osmotic Dehydration, Blanching, Microwave and Ultrasonic Treatment on Bioactive Compounds and Rehydration Capacity of Dried Plums
Authors: Elena Corina Popescu, Magda Gabriela Bratu
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Increasing interest in keeping bioactive compounds (anthocyanins, vitamin C) and dried fruit quality has motivated the researchers to investigate new combined drying technologies. The aim of this study was to evaluate the effects of convective dryness combined with osmotic dehydration, blanching, microwave treatment and ultrasonic treatment on the quality of dried plums. Osmotic dehydration was achieved by maintaining plums for 1 h in sucrose solution (300Brix). For microwave treatment, the plums were kept at 400 W for 80 sec. For ultrasonic treatment, plums were immersed in distilled water and sonicated for 30 minutes at 40 kHz and 200 W. The blanching consists of immersing plums in hot water at 90°C for 20 seconds and cooling them rapidly. Conventional drying was carried out at 70°C for 630 minutes. Drying curves, drying rate, anthocyanin and vitamin C stability, acidity variation (expressed as malic acid), reducing sugar content, and rehydration capacity of dried plums were analyzed. Blanching led to the largest amount of evaporated water. Blanched plums have had 13.36% less water than sonicated ones. The lowest anthocyanal loss of 34.5% was obtained in osmotically dehydrated plums, and 2.93% vitamin C is found in the plums sonicated. There were no significant differences in regards acidity and reducing sugar. The plums blanched before drying have had a high capacity of rehydration.Keywords: anthocyanin, dried plums, pretreatments, vitamin C
Procedia PDF Downloads 23445 The Discursive Construction of Emotions in the Headlines of French Newspapers on Seismic Disasters
Authors: Mirela-Gabriela Bratu
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The main objective of this study is to highlight the way in which emotions are constructed discursively in the French written press, more particularly in the titles of informative articles. To achieve this objective, we will begin the study with the theoretical part, which aims to capture the characteristics of journalistic discourse, to which we will add clues of emotions that we will identify in the titles of the articles. The approach is based on the empirical results from the analysis of the articles published on the earthquake that took place on August 24, 2016, in Italy, as described by two French national daily newspapers: Le Monde and Le Point. The corpus submitted to the analysis contains thirty-seven titles, published between August 24, 2016, and August 24, 2017. If the textual content of the speech offers information respecting the grammatical standards and following the presentation conventions, the choice of words can touch the reader, so the journalist must add other means than mastering of the language to create emotion. This study aims to highlight the strategies, such as rhetorical figures, the tenses, or factual data, used by journalists to create emotions for the readers. We also try, thanks to the study of the articles which were published for several days relating to the same event, to emphasize whether we can speak or not of the dissipation of emotion and the catastrophic side as the event fades away in time. The theoretical framework is offered by works on rhetorical strategies (Perelman, 1992; Amossi, 2000; Charaudeau, 2000) and on the study of emotions (Plantin, 1997, 1998, 2004; Tetu, 2004).Keywords: disaster, earthquake, emotion, feeling
Procedia PDF Downloads 13844 Combat Capability Improvement Using Sleep Analysis
Authors: Gabriela Kloudova, Miloslav Stehlik, Peter Sos
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The quality of sleep can affect combat performance where the vigilance, accuracy and reaction time are a decisive factor. In the present study, airborne and special units are measured on duty using actigraphy fingerprint scoring algorithm and QEEG (quantitative EEG). Actigraphic variables of interest will be: mean nightly sleep duration, mean napping duration, mean 24-h sleep duration, mean sleep latency, mean sleep maintenance efficiency, mean sleep fragmentation index, mean sleep onset time, mean sleep offset time and mean midpoint time. In an attempt to determine the individual somnotype of each subject, the data like sleep pattern, chronotype (morning and evening lateness), biological need for sleep (daytime and anytime sleepability) and trototype (daytime and anytime wakeability) will be extracted. Subsequently, a series of recommendations will be included in the training plan based on daily routine, timing of the day and night activities, duration of sleep and the number of sleeping blocks in a defined time. The aim of these modifications in the training plan is to reduce day-time sleepiness, improve vigilance, attention, accuracy, speed of the conducted tasks and to optimize energy supplies. Regular improvement of the training supposed to have long-term neurobiological consequences including neuronal activity changes measured by QEEG. Subsequently, that should enhance cognitive functioning in subjects assessed by the digital cognitive test batteries and improve their overall performance.Keywords: sleep quality, combat performance, actigraph, somnotype
Procedia PDF Downloads 16443 Vehicle Gearbox Fault Diagnosis Based on Cepstrum Analysis
Authors: Mohamed El Morsy, Gabriela Achtenová
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Research on damage of gears and gear pairs using vibration signals remains very attractive, because vibration signals from a gear pair are complex in nature and not easy to interpret. Predicting gear pair defects by analyzing changes in vibration signal of gears pairs in operation is a very reliable method. Therefore, a suitable vibration signal processing technique is necessary to extract defect information generally obscured by the noise from dynamic factors of other gear pairs. This article presents the value of cepstrum analysis in vehicle gearbox fault diagnosis. Cepstrum represents the overall power content of a whole family of harmonics and sidebands when more than one family of sidebands is present at the same time. The concept for the measurement and analysis involved in using the technique are briefly outlined. Cepstrum analysis is used for detection of an artificial pitting defect in a vehicle gearbox loaded with different speeds and torques. The test stand is equipped with three dynamometers; the input dynamometer serves as the internal combustion engine, the output dynamometers introduce the load on the flanges of the output joint shafts. The pitting defect is manufactured on the tooth side of a gear of the fifth speed on the secondary shaft. Also, a method for fault diagnosis of gear faults is presented based on order cepstrum. The procedure is illustrated with the experimental vibration data of the vehicle gearbox. The results show the effectiveness of cepstrum analysis in detection and diagnosis of the gear condition.Keywords: cepstrum analysis, fault diagnosis, gearbox, vibration signals
Procedia PDF Downloads 37842 Fluorescence Effect of Carbon Dots Modified with Silver Nanoparticles
Authors: Anna Piasek, Anna Szymkiewicz, Gabriela Wiktor, Jolanta Pulit-Prociak, Marcin Banach
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Carbon dots (CDs) have great potential for application in many fields of science. They are characterized by fluorescent properties that can be manipulated. The nanomaterial has many advantages in addition to its unique properties. CDs may be obtained easily, and they undergo surface functionalization in a simple way. In addition, there is a wide range of raw materials that can be used for their synthesis. An interesting possibility is the use of numerous waste materials of natural origin. In the research presented here, the synthesis of CDs was carried out according to the principles of Green chemistry. Beet molasses was used as a natural raw material. It has a high sugar content. This makes it an excellent high-carbon precursor for obtaining CDs. To increase the fluorescence effect, we modified the surface of CDs with silver (Ag-CDs) nanoparticles. The process of obtaining CQD was based on the hydrothermal method by applying microwave radiation. Silver nanoparticles were formed via the chemical reduction method. The synthesis plans were performed on the Design of the Experimental method (DoE). Variable process parameters such as concentration of beet molasses, temperature and concentration of nanosilver were used in these syntheses. They affected the obtained properties and particle parameters. The Ag-CDs were analyzed by UV-vis spectroscopy. The fluorescence properties and selection of the appropriate excitation light wavelength were performed by spectrofluorimetry. Particle sizes were checked using the DLS method. The influence of the input parameters on the obtained results was also studied.Keywords: fluorescence, modification, nanosilver, molasses, Green chemistry, carbon dots
Procedia PDF Downloads 8341 Study of Age-Dependent Changes of Peripheral Blood Leukocytes Apoptotic Properties
Authors: Anahit Hakobjanyan, Zdenka Navratilova, Gabriela Strakova, Martin Petrek
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Aging has a suppressive influence on human immune cells. Apoptosis may play important role in age-dependent immunosuppression and lymphopenia. Prevention of apoptosis may be promoted by BCL2-dependent and BCL2-independent manner. BCL2 is an antiapoptotic factor that has an antioxidative role by locating the glutathione at mitochondria and repressing oxidative stress. STAT3 may suppress apoptosis in BCL2-independent manner and promote cell survival blocking cytochrome-c release and reducing ROS production. The aim of our study was to estimate the influence of aging on BCL2-dependent and BCL2-independent prevention of apoptosis via measurement of BCL2 and STAT3 mRNAs expressions. The study was done on Armenian population (2 groups: 37 healthy young (mean age±SE; min/max age, male/female: 37.6±1.1; 20/54, 15/22), 28 healthy aged (66.7±1.5; 57/85, 12/16)). mRNA expression in peripheral blood leukocytes (PBL) was determined by RT-PCR using PSMB2 as the reference gene. Statistical analysis was done with Graph-Pad Prism 5; P < 0.05 considered as significant. The expression of BCL2 mRNA was lower in aged group (0.199) compared with young ones (0.643)(p < 0.01). Decrease expression was also recorded for female and male subgroups (p < 0.01). The expression level of STAT3 mRNA was increased (young, 0.228; aged, 0.428) (p < 0.05) during aging (in the whole age group and male/female subgroups). Decreased level of BCL2 mRNA may indicate about the suppression of BCL2-dependent prevention of apoptosis during aging in peripheral blood leukocytes. At the same time increased the level of STAT3 may suggest about activation of BCL2-independent prevention of apoptosis during aging.Keywords: BCL2, STAT3, aging, apoptosis
Procedia PDF Downloads 32640 Fluorescent Ph-Sensing Bandage for Point-of-Care Wound Diagnostics
Authors: Cherifi Katia, Al-Hawat Marie-Lynn, Tricou Leo-Paul, Lamontagne Stephanie, Tran Minh, Ngu Amy Ching Yie, Manrique Gabriela, Guirguis Natalie, Machuca Parra Arturo Israel, Matoori Simon
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Diabetic foot ulcers (DFUs) are a serious and prevalent complication of diabetes. Current diagnostic options are limited to macroscopic wound analysis such as wound size, depth, and infection. Molecular diagnostics promise to improve DFU diagnosis, staging, and assessment of treatment response. Here, we developed a rapid and easy-to-use fluorescent pH-sensing bandage for wound diagnostics. In a fluorescent dye screen, we identified pyranine as the lead compound due to its suitable pH-sensing properties in the clinically relevant pH range of 6 to 9. To minimize the release of this dye into the wound bed, we screened a library of ionic microparticles and found a strong adhesion of the anionic dye to a cationic polymeric microparticle. These dye-loaded microparticles showed a strong fluorescence response in the clinically relevant pH range of 6 to 9 and a dye release below 1% after one day in biological media. The dye-loaded microparticles were subsequently encapsulated in a calcium alginate hydrogel to minimize the interaction of the microparticles with the wound tissue. This pH-sensing diagnostic wound dressing was tested on full-thickness dorsal wounds of mice, and a linear fluorescence response (R2 = 0.9909) to clinically relevant pH values was observed. These findings encourage further development of this pH-sensing system for molecular diagnostics in DFUs.Keywords: wound ph, fluorescence, diagnostics, diabetic foot ulcer, wound healing, chronic wounds, diabetes
Procedia PDF Downloads 8539 Evaluation of the Beach Erosion Process in Varadero, Matanzas, Cuba: Effects of Different Hurricane Trajectories
Authors: Ana Gabriela Diaz, Luis Fermín Córdova, Jr., Roberto Lamazares
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The island of Cuba, the largest of the Greater Antilles, is located in the tropical North Atlantic. It is annually affected by numerous weather events, which have caused severe damage to our coastal areas. In the same way that many other coastlines around the world, the beautiful beaches of the Hicacos Peninsula also suffer from erosion. This leads to a structural regression of the coastline. If measures are not taken, the hotels will be exposed to the advance of the sea, and it will be a serious problem for the economy. With the aim of studying the intensity of this type of activity, specialists of group of coastal and marine engineering from CIH, in the framework of the research conducted within the project MEGACOSTAS 2, provide their research to simulate extreme events and assess their impact in coastal areas, mainly regarding the definition of flood volumes and morphodynamic changes in sandy beaches. The main objective of this work is the evaluation of the process of Varadero beach erosion (the coastal sector has an important impact in the country's economy) on the Hicacos Peninsula for different paths of hurricanes. The mathematical model XBeach, which was integrated into the Coastal engineering system introduced by the project of MEGACOSTA 2 to determine the area and the more critical profiles for the path of hurricanes under study, was applied. The results of this project have shown that Center area is the greatest dynamic area in the simulation of the three paths of hurricanes under study, showing high erosion volumes and the greatest average length of regression of the coastline, from 15- 22 m.Keywords: beach, erosion, mathematical model, coastal areas
Procedia PDF Downloads 22738 Comparison of Serum Levels of Secreted Frizzler Protein 5 in Patients with Type 2 Diabetes Mellitus Treated and Not Treated with Metformin
Authors: Irma Gabriela Lopez-Moreno, Elva Perez-Luque, Herlinda Aguilar-Zavala
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Introduction: Type 2 Diabetes Mellitus (T2DM) is characterized by combination of insulin resistance and deterioration of insulin secretion. Sfrp5 is a protein that antagonizes Wnt5a proteins by preventing it from reaching its receptor and activating the Wnt/β-catenin signaling pathway, this pathway is one of the most important regulators of adipogenesis. Although metformin decreases glucose levels its mechanisms of action are not fully known but it has been implicated in the inhibition of the Wnt/β-catenin signaling pathway. Objective: The objective was evaluating the effects of metformin on serum levels of Sfrp5 in patients with T2DM treated and not treated with metformin. Methods: Two groups of patients were selected: one group of T2DM patients treated with metformin (n = 35) and another group of subjects with recent diagnosis of T2DM untreated (n = 35) with a mean age of 48 ± 9 years. In these subjects anthropometric measures were taken as weight, height, waist and hip circumference, were calculated the percentage of body fat, visceral fat and muscle mass. In addition, were measured glucose levels, lipid profile, adiponectin and Sfrp5. Results: Sfrp5 were higher in metformin-treated patients compared to the untreated group (19.9 vs 13.6 ng/mL p < 0.001), a negative correlation was found between Sfrp5 levels and total cholesterol levels (r= -0.25, p = 0.03) and percentage of visceral fat (r = -0.26, p = 0.03) and a positive correlation with HDL cholesterol levels (r = 0.31, p = 0.01) and adiponectin (r=0.65, p = < 0.001). Conclusions: The findings show that metformin consumption increased levels of Sfrp5, which may lead to a decrease in the activation of the WNT/β-catenin pathway impacting on adipogenesis.Keywords: adiponectin, diabetes, metformin, Sfrp5
Procedia PDF Downloads 17637 Neuroimaging Markers for Screening Former NFL Players at Risk for Developing Alzheimer's Disease / Dementia Later in Life
Authors: Vijaykumar M. Baragi, Ramtilak Gattu, Gabriela Trifan, John L. Woodard, K. Meyers, Tim S. Halstead, Eric Hipple, Ewart Mark Haacke, Randall R. Benson
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NFL players, by virtue of their exposure to repetitive head injury, are at least twice as likely to develop Alzheimer's disease (AD) and dementia as the general population. Early recognition and intervention prior to onset of clinical symptoms could potentially avert/delay the long-term consequences of these diseases. Since AD is thought to have a long preclinical incubation period, the aim of the current research was to determine whether former NFL players, referred to a depression center, showed evidence of incipient dementia in their structural imaging prior to diagnosis of dementia. Thus, to identify neuroimaging markers of AD, against which former NFL players would be compared, we conducted a comprehensive volumetric analysis using a cohort of early stage AD patients (ADNI) to produce a set of brain regions demonstrating sensitivity to early AD pathology (i.e., the “AD fingerprint”). A cohort of 46 former NFL players’ brain MRIs were then interrogated using the AD fingerprint. Brain scans were done using a T1-weighted MPRAGE sequence. The Free Surfer image analysis suite (version 6.0) was used to obtain the volumetric and cortical thickness data. A total of 55 brain regions demonstrated significant atrophy or ex vacuo dilatation bilaterally in AD patients vs. healthy controls. Of the 46 former NFL players, 19 (41%) demonstrated a greater than expected number of atrophied/dilated AD regions when compared with age-matched controls, presumably reflecting AD pathology.Keywords: alzheimers, neuroimaging biomarkers, traumatic brain injury, free surfer, ADNI
Procedia PDF Downloads 15236 Cognitive Impairment in Chronic Renal Patients on Hemodialysis
Authors: Fabiana Souza Orlandi, Juliana Gomes Duarte, Gabriela Dutra Gesualdo
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Chronic renal disease (CKD), accompanied by hemodialysis, causes chronic renal failure in a number of situations that compromises not only physical, personal and environmental aspects, but also psychological, social and family aspects. Objective: To verify the level of cognitive impairment of chronic renal patients on hemodialysis. Methodology: This is a descriptive, cross-sectional study. The present study was performed in a Dialysis Center of a city in the interior of the State of São Paulo. The inclusion criteria were: being 18 years or older; have a medical diagnosis of CKD; being in hemodialysis treatment in this unit; and agree to participate in the research, with the signature of the Informed Consent (TCLE). A total of 115 participants were evaluated through the Participant Characterization Instrument and the Addenbrooke Cognitive Exam - Revised Version (ACE-R), being scored from 0 to 100, stipulating the cut-off note for the complete battery <78 and subdivided into five domains: attention and guidance; memory; fluency; language; (66.9%) and caucasian (54.7%), 53.7 (±14.8) years old. Most of the participants were retired (74.7%), with incomplete elementary schooling (36.5%) and the average time of treatment was 46 months. Most of the participants (61.3%) presented impairment in the area of attention and orientation, 80.4% in the spatial visual domain. Regarding the total ACE-R score, 75.7% of the participants presented scores below the established cut grade. Conclusion: There was a high percentage (75.7%) below the cut-off score established for ACE-R, suggesting that there may be some cognitive impairment among these participants, since the instrument only performs a screening on cognitive health. The results of the study are extremely important so that possible interventions can be traced in order to minimize impairment, thus improving the quality of life of chronic renal patients.Keywords: cognition, chronic renal insufficiency, adult health, dialysis
Procedia PDF Downloads 36335 Antimutagenic Activity of a Protein, Lectin Fraction from Urtica Dioica L.
Authors: Nijole Savickiene, Antonella Di Sotto, Gabriela Mazzanti, Rasa Starselskyte, Silvia Di Giacomo, Annabella Vitalone
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Plant lectins are non-enzymic and non-immune origin proteins that specifically recognize and bind to various sugar structures and possess the activity to agglutinate cells and/or precipitate polysaccharides and glycoconjugates. The emerging evidences showed that plant lectins contribute not only to tumour cell recognition but also to cell adhesion and localization, to signal transduction, to mitogenic cytotoxicity and apoptosis. Among chitin-binding lectins, the Urtica dioica agglutinin (UDA), which is a complex of different isoforms, has been poorly studied for its biological activity. In this context and according to the increasing interest for lectins as novel antitumor drugs, present paper aimed at evaluating the potential antimutagenic activity of a lectin-like glycoprotein-enriched fraction from aerial part of Urtica dioica L. Aim: to evaluate the potential chemopreventive properties of a protein - lectin fraction from the aerial part of Urtica dioica. Materials and methods: Protein – lectin fraction has been tested for the antimutagenic activity in bacteria (50–800 mg/plate; Ames test by the preincubation method) and for the cytotoxicity on human hepatoma HepG2 cells (0.06–2 mg/mL; 24 and 48 h incubation). Results: Protein – lectin fraction from stinging nettle was not cytotoxic on HepG2 cells up to 2 mg/mL; conversely, it exhibited a strong antimutagenic activity against the mutagen 2-aminoanthracene (2AA) in all strains tested (maximum inhibition of 56.78 and 61% in TA98, TA100, and WP2uvrA strains, respectively, at 800 mg/plate). Discussion and conclusions: Protein – lectin fraction from Urtica dioica L. possesses antimutagenic and radical scavenging properties. Being 2AA a pro-carcinogenic agent, we hypothesize that the antimutagenicity of it can be due to the inhibition of CYP450-isoenzymes, involved in the mutagen bioactivation.Keywords: lectins, antimutagenicity, chemoprevention, Urtica dioica
Procedia PDF Downloads 42534 Jail Reentry in Rural America: A Quasi-Experimental Examination of a Rural Behavioral Health Reentry Program
Authors: Debra L. Stanley, Gabriela Wasileski
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Offenders face many challenges as they transition from being incarcerated to the community, ranging from housing and employment needs to long standing problems with addictions and mental health issues. A lack of appropriate behavioral health services in the more remote parts of the United States has led to a significant illegal substance abuse problem, housing instability, and unaddressed mental health and trauma issues. High rates of poverty and unemployment exacerbate the growing behavioral health issues, drug overdoses, co-occurring disorders, and crime that are so prevalent across rural communities. This study examines the challenges of rural jail reentry faced by offenders in a treatment capacity. The client-centered evidence-based program is uniquely designed to provide continuity of care that focuses on issues which affect rural communities. Prior to release from jail, individuals go through comprehensive assessment screenings to measure mental health and substance use disorder as well as trauma and prior crime victimization histories; the assessments help to target client-specific services. The quasi-experimental research design tracks clients throughout their recovery and reintegration into the community. Individuals in a rural program often do not have the benefit of easy access or peer mentoring that is so often found in urban recovery programs. Therefore, much of the support is provided through telehealth and e-services. The goal of this study is to explore the nature of rural reentry programs and measures of recidivism, drug overdoses, and other behavioral health needs and successful reentry to include stable housing and employment.Keywords: jail reentry, rehabilitation, behavioral health, drug abuse, recidivism
Procedia PDF Downloads 9533 Coagulation-flocculation Process with Metal Salts, Synthetic Polymers and Biopolymers for the Removal of Trace Metals (Cu, Pb, Ni, Zn) from Wastewater
Authors: Andrew Hargreaves, Peter Vale, Jonathan Whelan, Carlos Constantino, Gabriela Dotro, Pablo Campo
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As a consequence of their potential to cause harm, there are strong regulatory drivers that require metals to be removed as part of the wastewater treatment process. Bioavailability-based standards have recently been specified for copper (Cu), lead (Pb), nickel (Ni) and zinc (Zn) and are expected to reduce acceptable metal concentrations. In order to comply with these standards, wastewater treatment works may require new treatment types to enhance metal removal and it is, therefore, important to examine potential treatment options. A substantial proportion of Cu, Pb, Ni and Zn in effluent is adsorbed to and/or complexed with macromolecules (eg. proteins, polysaccharides, aminosugars etc.) that are present in the colloidal size fraction. Therefore, technologies such as coagulation-flocculation (CF) that are capable of removing colloidal particles have good potential to enhance metals removal from wastewater. The present study investigated the effectiveness of CF at removing trace metals from humus effluent using the following coagulants; ferric chloride (FeCl3), the synthetic polymer polyethyleneimine (PEI), and the biopolymers chitosan and Tanfloc. Effluent samples were collected from a trickling filter treatment works operating in the UK. Using jar tests, the influence of coagulant dosage and the velocity and time of the slow mixing stage were studied. Chitosan and PEI had a limited effect on the removal of trace metals (<35%). FeCl3 removed 48% Cu, 56% Pb and 41% Zn at the recommended dose of 0.10 mg/L. At the recommended dose of 0.25 mg/L Tanfloc removed 77% Cu, 68% Pb, 18% Ni and 42% Zn. The dominant mechanism for particle removal by FeCl3 was enmeshment in the precipitates (i.e. sweep flocculation) whereas, for Tanfloc, inter-particle bridging was the dominant removal mechanism. Overall, FeCl3 and Tanfloc were found to be most effective at removing trace metals from wastewater.Keywords: coagulation-flocculation, jar test, trace metals, wastewater
Procedia PDF Downloads 23832 The Role Previous Cytomegalovirus Infection in Subsequent Lymphoma Develompment
Authors: Amalia Ardeljan, Lexi Frankel, Divesh Manjani, Gabriela Santizo, Maximillian Guerra, Omar Rashid
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Introduction: Cytomegalovirus (CMV) infection is a widespread infection affecting between 60-70% of people in industrialized countries. CMV has been previously correlated with a higher incidence of Hodgkin Lymphoma compared to noninfected persons. Research regarding prior CMV infection and subsequent lymphoma development is still controversial. With limited evidence, further research is needed in order to understand the relationship between previous CMV infection and subsequent lymphoma development. This study assessed the effect of CMV infection and the incidence of lymphoma afterward. Methods: A retrospective cohort study (2010-2019) was conducted through a Health Insurance Portability and Accountability Act (HIPAA) compliant national database and conducted using International Classification of Disease (ICD) 9th,10th codes, and Current Procedural Terminology (CPT) codes. These were used to identify lymphoma diagnosis in a previously CMV infected population. Patients were matched for age range and Charlson Comorbidity Index (CCI). A chi-squared test was used to assess statistical significance. Results: A total number of 14,303 patients was obtained in the CMV infected group as well as in the control population (matched by age range and CCI score). Subsequent lymphoma development was seen at a rate of 11.44% (1,637) in the CMV group and 5.74% (822) in the control group, respectively. The difference was statistically significant by p= 2.2x10-16, odds ratio = 2.696 (95% CI 2.483- 2.927). In an attempt to stratify the population by antiviral medication exposure, the outcomes were limited by the decreased number of members exposed to antiviral medication in the control population. Conclusion: This study shows a statistically significant correlation between prior CMV infection and an increased incidence of lymphoma afterward. Further exploration is needed to identify the potential carcinogenic mechanism of CMV and whether the results are attributed to a confounding bias.Keywords: cytomegalovirus, lymphoma, cancer, microbiology
Procedia PDF Downloads 21831 A Longitudinal Examination of the Impact of Treatment Modality on Relationship Satisfaction and Mental Health Quality of Life Outcomes among Prostate Cancer Survivors
Authors: Gabriela Ilie, Robert D. H. Rutledge
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A review of the literature reveals a need for longitudinal studies to properly understand the quality of life of prostate cancer survivors during their prostate cancer journey in order to identify opportunities for patient support and care during prostate cancer survivorship. In this study, mental health and relationship satisfaction were assessed longitudinally and by treatment modality among a population-based sample of Canadian adult men with a history of prostate cancer diagnosis. A total of 98 men, aged 51 or older with a history of prostate cancer completed an on-line 15-minute survey between May 2017 and February 2018, assessing mental health (Kessler Psychological Distress Scale) and relationship satisfaction (Dyadic Adjustment Scale) at baseline and at three months post-treatment with either active or nonactive prostate cancer treatment. Almost 1 in 6 men in this sample screened positive for mental health issues (17.34%, n=17) irrespective of treatment modality and most (n=11) were not currently on medication for depression, anxiety or both. Mental health outcomes were poorer for men with multimorbidity. For every instance of screening positive for mental health issues, 2.021 (95% CI:1.1 to 3.8) times more comorbidities were recorded. Relationship satisfaction and dyadic cohesion were statistically significantly lower from first assessment to 3 months for men who underwent multiple treatment modalities (surgery and radiation with hormonal therapy). Relationship satisfaction was also lower at 3 months for men who underwent radiation therapy. Almost 1 in 2 men in this sample (74%) indicated they did not attend a prostate cancer support group. Results suggest that treatment for mental health is underutilized in men with prostate cancer. Men who undergo multiple forms of active treatment appear more vulnerable to relationship dissatisfaction and feeling disconnected from their partner. Data points to important opportunities for patient education and care support during survivorship.Keywords: prostate cancer survivorship, mental health, quality of life, relationship satisfaction
Procedia PDF Downloads 11530 Importance of Assessing Racial Trauma after George Floyd in Children of Color in Schools
Authors: Gabriela Macera DiFilippo
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The world watched in disbelief as George Floyd was killed by a policeman. The images from the scene were made more memorable by Mr. Floyd’s pleas and cries for his mother. In the aftermath of this tragedy, the Black Lives Matter movement gained momentum. Weeks and months after the protests, global interest in learning about tackling systemic racism erupted. One must wonder how school children of color viewed and processed this trauma. This study will examine the kinds of trauma experienced by children of color and the opportunity for school mental health providers to support these children. This study used literature searches that were previously conducted for proven and practical assessment methods that can help deal with racial trauma for children. As part of the assessment, trauma symptoms experienced by children of color were summarized and characterized in a non-imperial manner. The research was also will be done in practical ways to make adequate and effective mental health services available in schools and lessen the stigma. This research study found that there is a need to provide an analysis of the ongoing racial trauma of children of color after the death of George Floyd. Impactful and appropriate assessment methods, such as surveys, were presented to all school professionals. Lastly, this paper attempted to provide mental health professionals with the tools to screen and provide guidance based on unequivocal, unbiased methods for helping these children. There is a need for both schools and community leaders to ensure that every child has access to mental health care and is being assessed for their overall well-being. There is a need to educate the communities about racial trauma and its impact on individuals, especially children. School mental health professionals are encouraged to offer and educate schools and communities about racial trauma awareness, its importance, and ways to cope with it in different settings. The delivery of these informed services should focus on behavioral health and must be sensitive to children of color and different ways of self-care.Keywords: trauma, children, black psychology, students
Procedia PDF Downloads 5729 Biochemical Characterization and Structure Elucidation of a New Cytochrome P450 Decarboxylase
Authors: Leticia Leandro Rade, Amanda Silva de Sousa, Suman Das, Wesley Generoso, Mayara Chagas Ávila, Plinio Salmazo Vieira, Antonio Bonomi, Gabriela Persinoti, Mario Tyago Murakami, Thomas Michael Makris, Leticia Maria Zanphorlin
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Alkenes have an economic appeal, especially in the biofuels field, since they are precursors for drop-in biofuels production, which have similar chemical and physical properties to the conventional fossil fuels, with no oxygen in their composition. After the discovery of the first P450 CYP152 OleTJE in 2011, reported with its unique property of decarboxylating fatty acids (FA), by using hydrogen peroxide as a cofactor and producing 1-alkenes as the main product, the scientific and technological interest in this family of enzymes vastly increased. In this context, the present work presents a new decarboxylase (OleTRN) with low similarity with OleTJE (32%), its biochemical characterization, and structure elucidation. As main results, OleTRN presented a high yield of expression and purity, optimum reaction conditions at 35 °C and pH from 6.5 to 8.0, and higher specificity for oleic acid. Besides that, structure-guided mutations were performed and according to the functional characterizations, it was observed that some mutations presented different specificity and chemoselectivity by varying the chain-length of FA substrates from 12 to 20 carbons. These results are extremely interesting from a biotechnological perspective as those characteristics could diversify the applications and contribute to designing better cytochrome P450 decarboxylases. Considering that peroxygenases have the potential activity of decarboxylating and hydroxylating fatty acids and that the elucidation of the intriguing mechanistic involved in the decarboxylation preferential from OleTJE is still a challenge, the elucidation of OleTRN structure and the functional characterizations of OleTRN and its mutants contribute to new information about CYP152. Besides that, the work also contributed to the discovery of a new decarboxylase with a different selectivity profile from OleTJE, which allows a wide range of applications.Keywords: P450, decarboxylases, alkenes, biofuels
Procedia PDF Downloads 20128 Diaper Dermatitis and Pancytopenia as the Primary Manifestation in an Infant with Vitamin B12 Deficiency
Authors: Ekaterina Sánchez Romero, Emily Gabriela Aguirre Herrera, Sandra Luz Espinoza Esquerra, Jorge García Campos
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Female, 7 months old, daughter of a mother with anemia during pregnancy, with no history of atopy in the family, since birth she presents with recurrent dermatological and gastrointestinal infections, chronically treated for recurrent diaper dermatitis. At 6 months of age, she begins with generalized pallor, hyperpigmentation in hands and feet, smooth tongue, psychomotor retardation with lack of head support, sedation, and hypoactivity. She was referred to our hospital for a fever of 38°C, severe diaper rash, and pancytopenia with HB 9.3, platelets 38000, neutrophils 0.39 MCV: 86.80 high for her age. The approach was initiated to rule out myeloproliferative syndrome, with negative immunohistochemical results of bone marrow aspirate; during her stay, she presented neurological regression, lack of sucking, and focal seizures. CT scan showed cortical atrophy. The patient was diagnosed with primary immunodeficiency due to history; gamma globulin was administered without improvement with normal results of immunoglobulins and metabolic screening. When dermatological and neurological diagnoses were ruled out as the primary cause, a nutritional factor was evaluated, and a therapeutic trial was started with the administration of vitamin B12 and zinc, presenting clinical neurological improvement and resolution of pancytopenia in 2 months. It was decided to continue outpatient management. Discussion: We present a patient with neurological, dermatological involvement, and pancytopenia, so the most common differential diagnoses in this population were ruled out. Vitamin B12 deficiency is an uncommon entity. Due to maternal and clinical history, a therapeutic trial was started resulting in an improvement. Conclusion: VitaminB12 deficiency should be considered one of the differential diagnoses in the approach to pancytopenia with megaloblastic anemia associated with dermatologic and neurologic manifestations. Early treatment can reduce irreversible damage in these patients.Keywords: vitamin B12 deficiency, pediatrics, pancytopenia, diaper dermatitis
Procedia PDF Downloads 9427 Label Survey in Romania: A Study on How Consumers Use Food Labeling
Authors: Gabriela Iordachescu, Mariana Cretu Stuparu, Mirela Praisler, Camelia Busila, Doina Voinescu, Camelia Vizireanu
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The aim of the study was to evaluate the consumers’ degree of confidence in food labeling, how they use and understand the label and respectively food labeling elements. The label is a bridge between producers, suppliers, and consumers. It has to offer enough information in terms of public health and food safety, statement of ingredients, nutritional information, warnings and advisory statements, producing date and shelf-life, instructions for storage and preparation (if required). The survey was conducted on 500 consumers group in Romania, aged 15+, males and females, from urban and rural areas and with different graduation levels. The questionnaire was distributed face to face and online. It had single or multiple choices questions and label images for the efficiency and best understanding of the question. The law 1169/2011 applied to food products from 13 of December 2016 improved and adapted the requirements for labeling in a clear manner. The questions were divided on following topics: interest and general trust in labeling, use and understanding of label elements, understanding of the ingredient list and safety information, nutrition information, advisory statements, serving sizes, best before/use by meanings, intelligent labeling, and demographic data. Three choice selection exercises were also included. In this case, the consumers had to choose between two similar products and evaluate which label element is most important in product choice. The data were analysed using MINITAB 17 and PCA analysis. Most of the respondents trust the food label, taking into account some elements especially when they buy the first time the product. They usually check the sugar content and type of sugar, saturated fat and use the mandatory label elements and nutrition information panel. Also, the consumers pay attention to advisory statements, especially if one of the items is relevant to them or the family. Intelligent labeling is a challenging option. In addition, the paper underlines that the consumer is more careful and selective with the food consumption and the label is the main helper for these.Keywords: consumers, food safety information, labeling, labeling nutritional information
Procedia PDF Downloads 21726 Assessment of the Performance of the Sonoreactors Operated at Different Ultrasound Frequencies, to Remove Pollutants from Aqueous Media
Authors: Gabriela Rivadeneyra-Romero, Claudia del C. Gutierrez Torres, Sergio A. Martinez-Delgadillo, Victor X. Mendoza-Escamilla, Alejandro Alonzo-Garcia
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Ultrasonic degradation is currently being used in sonochemical reactors to degrade pollutant compounds from aqueous media, as emerging contaminants (e.g. pharmaceuticals, drugs and personal care products.) because they can produce possible ecological impacts on the environment. For this reason, it is important to develop appropriate water and wastewater treatments able to reduce pollution and increase reuse. Pollutants such as textile dyes, aromatic and phenolic compounds, cholorobenzene, bisphenol-A and carboxylic acid and other organic pollutants, can be removed from wastewaters by sonochemical oxidation. The effect on the removal of pollutants depends on the type of the ultrasonic frequency used; however, not much studies have been done related to the behavior of the fluid into the sonoreactors operated at different ultrasonic frequencies. Based on the above, it is necessary to study the hydrodynamic behavior of the liquid generated by the ultrasonic irradiation to design efficient sonoreactors to reduce treatment times and costs. In this work, it was studied the hydrodynamic behavior of the fluid in sonochemical reactors at different frequencies (250 kHz, 500 kHz and 1000 kHz). The performances of the sonoreactors at those frequencies were simulated using computational fluid dynamics (CFD). Due to there is great sound speed gradient between piezoelectric and fluid, k-e models were used. Piezoelectric was defined as a vibration surface, to evaluate the different frequencies effect on the fluid into sonochemical reactor. Structured hexahedral cells were used to mesh the computational liquid domain, and fine triangular cells were used to mesh the piezoelectric transducers. Unsteady state conditions were used in the solver. Estimation of the dissipation rate, flow field velocities, Reynolds stress and turbulent quantities were evaluated by CFD and 2D-PIV measurements. Test results show that there is no necessary correlation between an increase of the ultrasonic frequency and the pollutant degradation, moreover, the reactor geometry and power density are important factors that should be considered in the sonochemical reactor design.Keywords: CFD, reactor, ultrasound, wastewater
Procedia PDF Downloads 18925 Rethinking The Residential Paradigm: Regenerative Design and the Contemporary Housing Industry
Authors: Gabriela Lucas Sanchez
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The contemporary housing industry is dominated by tract houses, which prioritize uniformity and cost-efficiency over environmental and ecological considerations. However, as the world faces the growing challenges of climate change and resource depletion, there is an urgent need to rethink the residential paradigm. This essay explores how regenerative practices can be integrated into standard residential designs to create a shift that reduces the environmental impact of housing and actively contributes to ecological health. Passive sustainable practices, such as passive solar design, natural ventilation, and the use of energy-efficient materials, aim to maximize resource use efficiency, minimize waste, and create healthy living environments. Regenerative practices, on the other hand, go beyond sustainability to work in harmony with natural systems, actively restoring and enriching the environment. Integrating these two approaches can redefine the residential paradigm, creating homes that reduce harm and positively impact the local ecosystem. The essay begins by exploring the principles and benefits of passive sustainable practices, discussing how they can reduce energy consumption and improve indoor environmental quality in standardized housing. Passive sustainability minimizes energy consumption through strategic design choices, such as optimizing building orientation, utilizing natural ventilation, and incorporating high-performance insulation and glazing. However, while sustainability efforts have been important steps in the right direction, a more holistic, regenerative approach is needed to address the root causes of environmental degradation. Regenerative development and design seek to go beyond simply reducing negative impacts, instead aiming to create built environments that actively contribute to restoring and enhancing natural systems. This shift in perspective is critical, as it recognizes the interdependence between human settlements and the natural world and the potential for buildings to serve as catalysts for positive change.Keywords: passive sustainability, regenerative architecture, residential architecture, community
Procedia PDF Downloads 3524 Nontuberculous Mycobacterium Infection – Still An Important Disease Among People With Late HIV Diagnosis
Authors: Jakub Młoźniak, Adam Szymański, Gabriela Stondzik, Dagny Krankowska, Tomasz Mikuła
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Nontuberculous mycobacteria (NTM) are bacterial species that cause diversely manifesting diseases mainly in immunocompromised patients. In people with HIV, NTM infection is an AIDS-defining disease and usually appears when the lymphocyte T CD4 count is below 50 cells/μl. The usage of antiretroviral therapy has decreased the prevalence of NTM among people with HIV, but the disease can still be observed especially among patients with late HIV diagnosis. Common presence in environment, human colonization, clinical similarity with tuberculosis and slow growth on culture makes NTM especially hard to diagnose. The study aimed to analyze the epidemiology and clinical course of NTM among patients with HIV. This study included patients with NTM and HIV admitted to our department between 2017 and 2023. Medical records of patients were analyzed and data on age, sex, median time from HIV diagnosis to identification of NTM infection, median CD4 count at NTM diagnosis, methods of determining NTM infection, type of species of mycobacteria identified, clinical symptoms and treatment course were gathered. Twenty-four patients (20 men, 4 women) with identified NTM were included in this study. Among them, 20 were HIV late presenters. The patients' median age was 40. The main symptoms which patients presented were fever, weight loss and cough. Pulmonary disease confirmed with positive cultures from sputum/bronchoalveolar lavage was present in 18 patients. M. avium was the most common species identified. M. marinum caused disseminated skin lesions in 1 patient. Out of all, 5 people were not treated for NTM caused by lack of symptoms and suspicion of colonization with mycobacterium. Concomitant tuberculosis was present in 6 patients. The median diagnostic time from HIV to NTM infections was 3.5 months. The median CD4 count at NTM identification was 69.5 cells/μl. Median NTM treatment time was 16 months but 7 patients haven’t finished their treatment yet. The most commonly used medications were ethambutol and clarithromycin. Among analyzed patients, 4 of them have died. NTM infections are still an important disease among patients who are HIV late presenters. This disease should be taken into consideration during the differential diagnosis of fever, weight loss and cough in people with HIV with lymphocyte T CD4 count <100 cells/μl. Presence of tuberculosis does not exclude nontuberculous mycobacterium coinfection.Keywords: mycobacteriosis, HIV, late presenter, epidemiology
Procedia PDF Downloads 4123 Selenuranes as Cysteine Protease Inhibitors: Theorical Investigation on Model Systems
Authors: Gabriela D. Silva, Rodrigo L. O. R. Cunha, Mauricio D. Coutinho-Neto
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In the last four decades the biological activities of selenium compounds has received great attention, particularly for hypervalent derivates from selenium (IV) used as enzyme inhibitors. The unregulated activity of cysteine proteases are related to the development of several pathologies, such as neurological disorders, cardiovascular diseases, obesity, rheumatoid arthritis, cancer and parasitic infections. These enzymes are therefore a valuable target for designing new small molecule inhibitors such as selenuranes. Even tough there has been advances in the synthesis and design of new selenuranes based inhibitors, little is known about their mechanism of action. It is a given that inhibition occurs through the reaction between the thiol group of the enzyme and the chalcogen atom. However, several open questions remain about the nature of the mechanism (associative vs. dissociative) and about the nature of the reactive species in solution under physiological conditions. In this work we performed a theoretical investigation on model systems to study the possible routes of substitution reactions. Nucleophiles may be present in biological systems, our interest is centered in the thiol groups from the cysteine proteases and the hydroxyls from the aqueous environment. We therefore expect this study to clarify the possibility of a route reaction in two stages, the first consisting of the substitution of chloro atoms by hydroxyl groups and then replacing these hydroxyl groups per thiol groups in selenuranes. The structures of selenuranes and nucleophiles were optimized using density function theory along the B3LYP functional and a 6-311+G(d) basis set. Solvent was treated using the IEFPCM method as implemented in the Gaussian 09 code. Our results indicate that hydrolysis from water react preferably with selenuranes, and then, they are replaced by the thiol group. It show the energy values of -106,0730423 kcal/mol for dople substituition by hydroxyl group and 96,63078511 kcal/mol for thiol group. The solvatation and pH reduction promotes this route, increasing the energy value for reaction with hydroxil group to -50,75637672 kcal/mol and decreasing the energy value for thiol to 7,917767189 kcal/mol. Alternative ways were analyzed for monosubstitution (considering the competition between Cl, OH and SH groups) and they suggest the same route. Similar results were obtained for aliphatic and aromatic selenuranes studied.Keywords: chalcogenes, computational study, cysteine proteases, enzyme inhibitors
Procedia PDF Downloads 30022 Nano-Sized Iron Oxides/ZnMe Layered Double Hydroxides as Highly Efficient Fenton-Like Catalysts for Degrading Specific Pharmaceutical Agents
Authors: Marius Sebastian Secula, Mihaela Darie, Gabriela Carja
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Persistent organic pollutant discharged by various industries or urban regions into the aquatic ecosystems represent a serious threat to fauna and human health. The endocrine disrupting compounds are known to have toxic effects even at very low values of concentration. The anti-inflammatory agent Ibuprofen is an endocrine disrupting compound and is considered as model pollutant in the present study. The use of light energy to accomplish the latest requirements concerning wastewater discharge demands highly-performant and robust photo-catalysts. Many efforts have been paid to obtain efficient photo-responsive materials. Among the promising photo-catalysts, layered double hydroxides (LDHs) attracted significant consideration especially due to their composition flexibility, high surface area and tailored redox features. This work presents Fe(II) self-supported on ZnMeLDHs (Me =Al3+, Fe3+) as novel efficient photo-catalysts for Fenton-like catalysis. The co-precipitation method was used to prepare ZnAlLDH, ZnFeAlLDH and ZnCrLDH (Zn2+/Me3+ = 2 molar ratio). Fe(II) was self-supported on the LDHs matrices by using the reconstruction method, at two different values of weight concentration. X-ray diffraction (XRD), thermogravimetric analysis (TG/DTG), Fourier transform infrared (FTIR) and transmission electron microscopy (TEM) were used to investigate the structural, textural, and micromorphology of the catalysts. The Fe(II)/ZnMeLDHs nano-hybrids were tested for the degradation of a model pharmaceutical agent, the anti-inflammatory agent ibuprofen, by photocatalysis and photo-Fenton catalysis, respectively. The results point out that the embedment Fe(II) into ZnFeAlLDH and ZnCrLDH lead to a slight enhancement of ibuprofen degradation by light irradiation, whereas in case of ZnAlLDH, the degradation process is relatively low. A remarkable enhancement of ibuprofen degradation was found in the case of Fe(II)/ZnMeLDHs by photo-Fenton process. Acknowledgements: This work was supported by a grant of the Romanian National Authority for Scientific Research and Innovation, CNCS - UEFISCDI, project number PN-II-RU-TE-2014-4-0405.Keywords: layered double hydroxide, heterogeneous Fenton, micropollutant, photocatalysis
Procedia PDF Downloads 294