Search results for: ultrahigh molecular weight polyethylene

Authors: Soheil Heydari, Ailar Hajimohammadi, Nasser Khalili

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Polystyrene, being made from a monomer called styrene, is a rigid and easy-to mould polymer that is widely used for many applications, from foam packaging to disposable containers. Considering that the degradation of waste polystyrene takes up to 500 years, there is an urgent need for a sustainable application for waste polystyrene. This study evaluates the application of waste polystyrene as an asphalt modifier. The inclusion of waste plastics in asphalt is either practised by the dry process or the wet process. In the dry process, plastics are added straight into the asphalt mixture and in the wet process, they are mixed and digested into bitumen. In this article, polystyrene was used as an asphalt modifier in a dry process. However, the mixing process is precisely designed to make sure that the polymer is melted and modified in the binder. It was expected that, due to the rigidity of polystyrene, it will have positive effects on the permanent deformation of the asphalt mixture. Therefore, different mixtures were manufactured with different contents of polystyrene and Marshall specimens were manufactured, and dynamic creep tests were conducted to evaluate the permanent deformation of the modification. This is a commonly repeated loading test conducted at different stress levels and temperatures. Loading cycles are applied to the AC specimen until failure occurs; with the amount of deformation constantly recorded the cumulative, permanent strain is determined and reported as a function of the number of cycles. Also, to our best knowledge, hybrid mixes of polystyrene with crumb rubber and low-density polyethylene were made and compared with a polystyrene-modified mixture. The test results of this study showed that the hybrid mix of polystyrene and low-density polyethylene has the highest resistance against permanent deformation. However, the polystyrene-modified mixture outperformed the hybrid mix of polystyrene and crumb rubber, and both demonstrated way lower permanent deformation than the unmodified specimen.

Keywords: permanent deformation, waste plastics, polystyrene, hybrid plastics, hybrid mix, hybrid modification, dry process

Procedia PDF Downloads 71

Authors: J. A. Abiona, O. O. Fabinu, O. O. Ehimiyein, A. O. Ladokun, M. O. Abioja, J. O. Daramola, O. E. Oke, O. A. Osinowo, O. M. Onagbesan

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A study was conducted on the effect of Moringa oleifera on liveweight and reproductive tract dimension of Giant African Land Snail (Archachatina marginata). Thirty two snails (32) with weight range of 100 – 150 g were used for this study. Eight snails (8) were subjected to each of the four treatments which were: Concentrate only, concentrate + 100g of Moringa oleifera, concentrate + 200g of Moringa oleifera and concentrate + 300g of Moringa oleifera. Parameters monitored were: Shell length, shell width, shell circumference and weekly live weight. Reproductive tract dimension taken include: Organ weight (ORGWT), reproductive tract weight (REPTWT), reproductive tract length (REPTLNT), ovo-tesis weight (OVOWT), edible part weight (EDPTWT), albumen weight (ALBWT) and albumen length (ALBLNT). Shell dimensions and the live weight were measured and recorded on a weekly basis with a tape rule and a sensitive weighing scale. After nine weeks, six snails were randomly selected from each treatment and dissected. Their reproductive tracts were removed and dimensions were taken. The result showed that ORGWT, OVOWT, ALBWT, ALBLNT, REPTLNT and REPTWT were not significantly affected (P>0.05) by different levels of Moringa oleifera inclusions with concentrate. However, Moringa oleifera inclusion with concentrate at different levels had significant effect (P<0.001) on Live weight, shell length and shell diameters of the animal. Snails given 300 g of Moringa oleifera per kilogramme of concentrate gave the highest live weight and shell length together with shell diameter. It was however recommended from this study that inclusion of Moringa oleifera leave meal into snail feed at 300 g per kg of concentrate would enhance live weight and shell parameters (length and width).

Keywords: reproductive tract, giant African land snails, Moringa oleifera, live weight, shell dimension

Procedia PDF Downloads 462

Authors: Claudia Matassa, Matthias Hohne, Dominic Ormerod, Yamini Satyawali

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Chiral amines integrate the backbone of several active pharmaceutical ingredients (APIs) used in modern medicine for the treatment of a vast range of diseases. Despite the demand, their synthesis remains challenging. Besides a range of chemicals and enzymatical methods, chiral amine synthesis using transaminases (EC 2.6.1.W) represents a useful alternative to access this important class of compounds. Even though transaminases exhibit excellent stereo and regioselectivity and the potential for high yield, the reaction suffers from a number of challenges, including the thermodynamic equilibrium, product inhibition, and low substrate solubility. In this work, we demonstrate a membrane assisted strategy for addressing these challenges. It involves the use of high molecular weight (HMW) amine donors for the transaminase-catalyzed synthesis of 4-phenyl-2-butylamine in both aqueous and organic solvent media. In contrast to common amine donors such as alanine or isopropylamine, these large molecules, provided in excess for thermodynamic equilibrium shifting, are easily retained by commercial nanofiltration membranes; thus a selective permeation of the desired smaller product amine is possible. The enzymatic transamination in aqueous media, combined with selective product removal shifted the equilibrium enhancing substrate conversion by an additional 25% compared to the control reaction. Along with very efficient amine product removal, there was undesirable loss of ketone substrate and low product concentration was achieved. The system was therefore further improved by performing the reaction in organic solvent (n-heptane). Coupling the reaction system with membrane-assisted product removal resulted in a highly concentrated and relatively pure ( > 97%) product solution. Moreover, a product yield of 60% was reached, compared to 15% without product removal.

Keywords: amine donor, chiral amines, in situ product removal, transamination

Procedia PDF Downloads 126

Authors: Woraprat Chaomuang, Sirikorn Sringern, Pawanrat Chamnanwongsritorn, Kridsada Luangthongkham

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In this study, we have applied a digital scale to demonstrate the electricity concept of changing the capacity (C), due to the weight of an object, as a function of the distance between the conductor plates and the pressing down. By calibrating on standard scales with the Visual Basic program and the Arduino Uno microcontroller board, we can obtain the weight of the object from the frequency (ƒ) that is measured from the electronic circuit (Astable Multivibrator). Our results support the concept, showing a linear correlation between the frequency and weight with an equation y = –0.0112x + 379.78 and the R2 value of 0.95. In addition, the effects of silicone rods shrinkage, permittivity and temperature were also examined and have found to affect various graph patterns observed.

Keywords: Arduino Uno board, frequency, microcontroller board, parallel plate conductor

Procedia PDF Downloads 182

Authors: M. Kagan Keler, Sibel Daglilar, Isil Kerti, Oguzhan Gunduz

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Electrospinning is a versatile way to occur fibers at nano-scale and polycaprolactone is a biomedical material which has a wide usage in cartilage defects and tissue regeneration. PCL is biocompatible and durable material which can be used in bio-implants. Therefore, electrospinning process was chosen as a fabrication method to get PCL fibers in an effective way because of its significant adjustments. In this research study, electrospinning parameters was evaluated during the producing of polymer tissue scaffolds. Polycaprolactone’s molecular weight was 80.000 Da and was employed as a tissue material in the electrospinning process. PCL was decomposed in dimethylformamid(DMF) and chloroform(CF) with the weight ratio of 1:1. Different compositions (1%, 3%, 5%, 10% and 20 %) of PCL was prepared in the laboratory conditions. All solvents with different percentages of PCL have been taken into the syringe and loaded into the electrospinning system. In electrospinning dozens of trial were applied to get homogeneously uniform scaffold samples. Taylor cone which is crucial point for electrospinning characteristic was occurred and changed in different voltages up to the material compositions’ conductivity. While the PCL percentages were increasing in the electrospinning, structure started to arise with droplets, which was an expressive problem for tissue scaffold. The vertical and horizontal layouts were applied to produce non-woven structures at all.

Keywords: tissue engineering, artificial scaffold, electrospinning, biocomposites

Procedia PDF Downloads 332

Authors: Milica Karadzic, Lidija Jevric, Sanja Podunavac-Kuzmanovic, Strahinja Kovacevic, Sinisa Markov, Aleksandar Okljesa, Andrea Nikolic, Marija Sakac, Katarina Penov Gasi

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This study considered the microbiological activity determination and molecular docking study for selected steroid derivatives of biomedical importance. Minimal inhibitory concentration (MIC) was determined for steroid derivatives against Staphylococcus aureus using macrodilution method. Some of the investigated steroid derivatives express bacteriostatic effect against Staphylococcus aureus. Molecular docking approaches are the most widely used techniques for predicting the binding mode of a ligand. Molecular docking study was done for steroid derivatives for androgen receptor negative prostate cancer cell line (PC-3) toward Human Cytochrome P450 CYP17A1. The molecules that had the smallest experimental IC50 values confirmed their ability to dock into active place using suitable molecular docking procedure. The binding disposition of those molecules was thoroughly investigated. Microbiological analysis and molecular docking study were conducted with aim to additionally characterize selected steroid derivatives for future investigation regarding their biological activity and to estimate the binding-affinities of investigated derivatives. This article is based upon work from COST Action (TD1305), supported by COST (European Cooperation and Science and Technology).

Keywords: binding affinity, minimal inhibitory concentration, molecular docking, pc-3 cell line, staphylococcus aureus, steroids

Procedia PDF Downloads 340

Authors: F. Berahmandpour, K. Bagheri

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Introduction: Spirulina is nutritious blue - green algae which are used as supplement or a preservative in many foods. The studies about the algae argue that the Spirulina can improve immune system, increase fat utilization, reduce oxidative stress and promote endurance at high-intensity exercise. The purpose of study is to assess the effects of Spirulina supplement on healthy weight control. Method: the study is a cross-sectional study which had 30 participants. The participants were men and women who referred to the nutrition and diet therapy clinic (in west of Tehran / Iran) for control weight. The sampling was a purposeful sampling. The participants were divided into three groups, and they were surveyed for 4 weeks. In the first group, 10 participants were used Spirulia supplement (dose: 500mg of Spiruvit Supplement as tablet / 3 times per day) without any special diet. The second group was 10 participants who received Spirulia supplement (dose 500mg of Spiruvit Supplement as tablet / 3 times per day) with a weight loss exercise program and without any special diet. The third group was 10 participants who used Spirulia supplement (dose 500mg of Spiruvit Supplement as tablet / 3 times per day) with an optimum weight loss diet. Results and Discussion: The results show that there were not any significant loss weights in first group. In while, the participants of second group argued that the Spirulina supplement had positive effects on their mud and physical body; however the clinical results showed that the loss weight had fixed tilt in this group. The significant results of study were related to the third group, because the participations could continuous loss weight during 4 weeks. However, the optimum weight loss diets were effective effects on weight loss in this group, but the researchers found that Spirulina supplement could improve loss weight with set of hormonal system (especially in women with menopause). Conclusion: The study is concluded that the Spirulina as a supplement (Spiruvit Supplement) can be an effective effect on healthy weight control, if it is used with a nutritious healthy weight loss diet. In fact, the effect of Spirulina can be related to powerful antioxidant effects and improvable hormonal system in the body.

Keywords: diet, healthy weight control, spirulina, spiruvit supplement

Procedia PDF Downloads 279

Authors: Shatha A. Yousif, Qasim M. Zamil, Hasan Y. Al Muhi, Jamal A. Al Shammari

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Potato (Solanum tuberosum L.) is one of the major vegetable crops that are grown world wide because of its economic importance. This experiment investigated the effect of local sands (River Base, Al-Ekader and Karbala) on number and total weight of mini tubers. Statistical analysis revealed that there were no significant differences among sand cultures in number of stem/plant, chlorophyll index and tubers dry weight. River Base sand had the highest plant height (74.9 cm), leaf number/plant number (39.3), leaf area (84.4 dcm2⁄plant), dry weight/plant (26.31), tubers number/plant (8.5), tubers weight/plant (635.53 gm) and potato tuber yields/trove (28.60 kg), whereas the Karbala sand had lower performance. All the characters had positive and significant correlation with yields except the traits number of stem and tuber dry weight.

Keywords: correlation, potato, sand culture, yield

Procedia PDF Downloads 452

Authors: Khaled Saeed Ali

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This study was conducted with 3 week old domestic chicken to determine the effect of supplementation of cadmium to dietary. 10 mg/kg Cadmium chloride added to maize- sesame cake meal diet for 4 weeks. The additional cadmium to the diet induced a decreasing body weight and changes in biochemical parameters of chicken. Chicken were divided into two groups. The first group was given a diet containing the concentration of 10 mg cadmium /kg daily for a period of 30 days and the second group was given diet without cadmium and used as a control group. The result revealed decrease in the body weight of treated chicken by 12.7 % compared to control group, whose body weight increased. The plasma glucose concentration, creatinine, aspartate aminotranseferase (AST), and alanine aminotransferase (ALT) were increased significantly (P<0.05) in Cd treated chicken in comparison to the control group. Cadmium accumulation was observed in the intestine, kidney, liver and bone. The accumulation of cadmium was markedly higher (3-4 times) in cadmium-treated animals compared to the control.

Keywords: cadmium, biochemical parameters, body weight, chicken

Procedia PDF Downloads 446

Authors: Jayanthi Sivaraman

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Claudins are the important components of the tight junctions that play a key role in paracellular permeability. Among various members of Claudin family, Claudin 4 (CLDN4) is found to be overexpressed in ovarian, pancreatic carcinomas and other epithelial malignancies. Therefore, in this study, an attempt has been made to identify potent inhibitors for CLDN4 from the ZINC database using virtual screening, molecular docking and molecular dynamics simulations. A well refined molecular model of CLDN4 was built using Prime of Schrodinger v10.2(Template- PDB ID: 4P79). Approximately, 6 million compounds from ZINC database are subjected to high-throughput virtual screening (HTVS) against the active site of CLDN4. Molecular docking using GLIDE predicted ARG31, ASN142, ASP146 and ARG158 as critically important residues. Furthermore, three compounds from ZINC database (ZINC96331839, ZINC36533519 and ZINC75819394) showed highly promising ADME properties and binding affinity with stable conformation. The therapeutic efficiency of these lead compounds is evaluated and confirmed by in-vitro and in-vivo studies which leads to the development of novel anti-cancer drugs.

Keywords: ADME property, inhibitors, molecular docking, virtual screening

Procedia PDF Downloads 310

Authors: Nazari Maryam, Gorji Saman

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For most competitions, athletes usually engage in a process called rapid weight loss (RWL) and subsequent rapid weight gain (RWG) in the days preceding the event. Besides the perfection of performance, weight regulation mediates a self-image of being “a real athlete” which is mentally important as a part of the pre-competition preparation. This feeling enhances the focus and commitment of the athlete. There is a large body of evidence that weight loss, particularly in combat sports, results in several health benefits. However, intentional weight loss beyond normal levels might have unknown negative special effects on the immune system. As the results show, a high prevalence (50%) of RWL is happening among combat athletes. It seems that energy deprivation and intense exercise to reach RWL results in altered blood cell distribution through modification of body composition that, in turn, changes B and T-Lymphocyte and/or CD4 T-Helper response. Moreover, it may diminish IgG antibody levels and modulate IgG glycosylation after this course. On the other hand, some studies show suppression of signaling and regulation of IgE antibody and chemokine production are responsible for immunodeficiency following a period of low-energy availability. Some researchers hypothesize that severe glutamine depletion, which occurs during exercise and calorie restriction, is responsible for this immune system weakness. However, supplementation by this amino acid is not prescribed yet. Therefore, weight loss is achieved not only through chronic strategies (body fat losses) but also through acute manipulations prior to competition should be supervised by a sports nutritionist to minimize side effects on the immune system and other body systems.

Keywords: athletes, immune system, rapid weight loss, weight loss strategies

Procedia PDF Downloads 92

Authors: Tz-Bang Du, Cheng-Han Hsieh, Li-Ping Ju, Hung-Jie Liou

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Polyether amines synthesize by secondary hydroxyl polyether diol play an important role in epoxy hardener. The low molecular weight product is used in low viscosity and high transparent polyamine product for the logo, ground cover, especially for wind turbine blade, while the high molecular weight products are used in advanced agricultures such as a high-speed railway. High-pressure reductive amination process is required for producing these amines. In the condition of higher than 150 atm pressure and 200 degrees Celsius temperature, supercritical ammonia is used as a reactant and also a solvent. It would be a great challenge to select a catalyst support for such high-temperature alkaline circumstance. In this study, we have established a six-autoclave-type (SAT) high-pressure reactor for amination catalyst screening, which six experiment conditions with different temperature and pressure could be examined at the same time. We synthesized copper-nickel catalyst on different shaped alumina catalyst support and evaluated the catalyst activity for high-pressure reductive amination of polypropylene glycol (PPG) by SAT reactor. Ball type gamma alumina, ball type activated alumina and pellet type gamma alumina catalyst supports are evaluated in this study. Gamma alumina supports have shown better activity on PPG reductive amination than activated alumina support. In addition, the catalysts are evaluated in fixed bed reactor. The diamine product was successfully synthesized via this catalyst and the strength of the catalysts is measured. The crush strength of blank supports is about 13.5 lb for both gamma alumina and activated alumina. The strength increases to 20.3 lb after synthesized to be copper-nickel catalyst. After test in the fixed bed high-pressure reductive amination process for 100 hours, the crush strength of the used catalyst is 3.7 lb for activated alumina support, 12.0 lb for gamma alumina support. The gamma alumina is better than activated alumina to use as catalyst support in high-pressure reductive amination process.

Keywords: high pressure reductive amination, copper nickel catalyst, polyether amine, alumina

Procedia PDF Downloads 203

Authors: Nareemarn Neelapaichit, Sookfong Wongsathapat, Noppawan Piaseu

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Body image plays an important role in adolescents. Thai adolescents put high concern on their body image result in unsatisfied their body shapes. Therefore, inappropriate weight management methods have been used. This study examined the body image perception and the nutritional status of Thai adolescents. Body mass index screening was done on 181 nursing students of Ramathibodi School of Nursing to categorized obesity, overweight, normal weight and underweight respondents by using recommended body-mass index (BMI) cut-off points for Asian populations. Self report questionnaire on demographics and body image perception were completed. Results showed that the respondents were mainly female (93.4%) and their mean age were 19.2 years. The prevalence of obesity, overweight, normal weight and underweight of the nursing students were 5.5%, 7.2%, 55.2% and 32.0%, respectively. Of all the respondents, 57.5% correctly perceived themselves, with 37.0% overestimating and 5.5% underestimating their weight status. Of those in the obesity category, 20.0% correctly perceived themselves and 80.0% perceived themselves as overweight. For overweight category, total respondents correctly perceived themselves. Fifty two percent of the normal weight respondents perceived themselves as overweight and 2.0% perceived themselves as obesity. Of the underweight respondents, 77.6% correctly perceived themselves and 20.7% perceived themselves as normal weight. These findings show high occurrence of body image misperception among Thai adolescents. Being concerned with this situation can promote adolescents for healthy weight and practice appropriate weight management methods.

Keywords: nutritional status, body image perception, Thai adolescents, body-mass index (BMI)

Procedia PDF Downloads 371

Authors: Guohua Cao, Xu Dong

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X-ray Fluorescence Molecular Imaging (XFMI) holds great promise as a low-cost molecular imaging modality for biomedical applications with high chemical sensitivity. However, for in vivo biomedical applications, a key technical bottleneck is the relatively low chemical sensitivity of XFMI, especially at a reasonably low radiation dose. In laboratory x-ray source based XFMI, one of the main factors that limits the chemical sensitivity of XFMI is the scattered x-rays. We will present our latest findings on improving the chemical sensitivity of XFMI using excitation beam spectrum optimization. XFMI imaging experiments on two mouse-sized phantoms were conducted at three different excitation beam spectra. Our results show that the minimum detectable concentration (MDC) of iodine can be readily increased by five times via excitation spectrum optimization. Findings from this investigation could find use for in vivo pre-clinical small-animal XFMI in the future.

Keywords: molecular imaging, X-ray fluorescence, chemical sensitivity, X-ray scattering

Procedia PDF Downloads 164

Authors: Siwat Kamonkunanon

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This paper presents results of an experimental study on the use of recycled foam with cement-based mixtures to produce light weight mortar. Several mortar grades were obtained by mixing cement with different amounts of recycled foam, aggregate and water. The physical and mechanical properties of the samples such as density, thermal conductivity, thermal resistivity and compressive strength were investigated. Results show that an increase in the amount of recycled foam affects the mortar, decreasing its density and mechanical properties while increasing its workability, permeability, and occluded air content. These results confirm that mortar produced with recycled foam is comparable to light weight mortar made with traditional materials.

Keywords: light weight, mortars, recycled foam, civil engineering

Procedia PDF Downloads 287

Authors: Begüm Terzi, Özlem Ateş Sönmezoğlu, Ahmet Yildirim

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Drought is the most important factor that limiting the production and productivity of wheat in the world. The yield of wheat, which is one of the most important crop in the world, reduced depend on drought. Researches to minimize effects of drought are one of the most important about breeding of drought resistant varieties. In recent years, benefiting from the drought resistance wild species and rapid advances in molecular biology studies, researches about drought have been accelerated and number of studies were made on molecular plant breeding which included the molecular mechanisms related to drought resistance. The aim of the present study was characterization of some bread wheat lines for drought tolerance which commonly cultivated in different location of Turkey. In this study, registered 9 bread wheat varieties which on the physiological tests about drought tolerance and 10 bread wheat line has been developed by Transitional Zone Agricultural Research Institute were used. SSR, STS, RAPD and SNP markers that associated with drought tolerance were used. The polymorphisms of the markers were determined by screening of two control varieties. For these purpose 40 molecular markers were used and 12 markers of them were polymorphic among the drought tolerance and the drought sensitive varieties. Control varieties were screened using polymorphic markers. All the DNAs on the genotypes will be searched for the presence of QTLs mapped to different chromosomes. Result of the research, the studied genotypes will be grouped according to drought tolerance and will be detected drought tolerance varieties by molecular markers. In addition, the results will be compared also with physiological tests. The drought tolerant wheat genotypes may be used in breeding studies related to drought stress.

Keywords: bread wheat, drought, molecular marker, Triticum aestivum

Procedia PDF Downloads 358

Authors: Alina Zafar

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In this particular research, various morphometric characters such as total length (TL), wet weight (WW), standard length (SL), fork length (FL), head length (HL), head width (HW), body depth (BD), body girth (BG), dorsal fin length (DFL), pelvic fin length (PelFL), pectoral fin length (PecFL), anal fin length (AFL), dorsal fin base (DFB), anal fin base (AFB), caudal fin length (CFL) and caudal fin width (CFW) of wild collected Puntius sophore were studied, to know the types of growth patterns and correlations in reference to length and weight, however, high significant relationships were recorded between total length and wet weight, as the correlation coefficient (r) possessed value of 0.989. The growth pattern was observed to be positively allometric as the value of ‘b’ was 3.22 (slightly higher than the ideal value, 3) with 95% confidence intervals ranging from 3.076 to 3.372. Wet weight and total length parameters showed high significant correlations (p < 0.001) with all other morphometric characters.

Keywords: Puntius sophore, length and weight relation, morphometrics, small indigenous species

Procedia PDF Downloads 78

Authors: Asli Faiza, Khamouli Saida

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With the development of computer tools over the past 20 years. Molecular modeling and, more precisely, molecular docking has very quickly entered field of pharmaceutical research. EGFR enzyme involved in cancer disease.Our work consists of studying the inhibition of EGFR (1M17) with deferent inhibitors derived from quinazoline and quinoline by molecular docking. The values of ligands L148 and L177 are the best ligands for inhibit the activity of 1M17 since it forms a stable complex with this enzyme by better binding to the active site. The results obtained show that the ligands L148 and L177 give weak interactions with the active site residues EGFR (1M17), which stabilize the complexes formed of this ligands, which gives a better binding at the level of the active site, and an RMSD of L148 [1,9563 Å] and of L177 [ 1,2483 Å]. [1, 9563, 1.2483] Å

Keywords: docking, EGFR, quinazoline, quinoliène, MOE

Procedia PDF Downloads 39

Authors: Cassi Henderson, Lucia Corsini, Shiv Kapila, Egle Augustaityte, Tsemaye Uwejamomere Zinzan Gurney, Aleyna Yildirim

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Plastic pollution is a major threat to human and planetary health. In Low- and Middle-Income Countries, plastic waste poses a major problem for marginalized populations who lack access to formal waste management systems. This study explores the potential for converting waste plastic into construction blocks. It is the first study to analyze the use of polyethylene terephthalate (PET) as a binder in plastic-sand bricks. Unlike previous studies of plastic sand-bricks, this research tests the properties of bricks that were made using a low-cost kiln technology that was co-designed with a rural, coastal community in Kenya.  The mechanical strength, resistance to fire and water absorption properties of the bricks are tested in this study. The findings show that the bricks meet structural standards for mechanical performance, fire resistance and water absorption. It was found that 30:70 PET to sand demonstrated the best overall performance.

Keywords: recycling, PET, plastic, sustainable construction, sustainable development

Procedia PDF Downloads 99

Authors: Elmira Ghanbari, Jan Van Esch, Stephen J. Picken, Sahil Aggarwal

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Low-molecular-weight organogelators form gels by self-assembly into the crystalline network which immobilizes the organic solvent. For single bisamide organogelator systems, the effect of the molecular structure on the molecular interaction and their self-assembly behavior has been explored. The spatial arrangement of bisamide molecules in the gel-state is driven by a combination of hydrogen bonding and Van der Waals interactions. The hydrogen-bonding pattern between the amide groups of bisamide molecules is regulated by the number of methylene spacers; the even number of methylene spacers between two amide groups, in even-spaced bisamides, leads to the antiparallel position of amide groups within a molecule. An even-spaced bisamide molecule with antiparallel amide groups can make two pairs of hydrogen bonding with the molecules on the same plane. The odd-spaced bisamide with a parallel directionality of amide groups can form four independent hydrogen bonds with four other bisamide molecules on different planes. The arrangement of bisamide molecules in the crystalline state and the interaction of these molecules depends on the molecular structure, particularly the parity of the spacer length between the amide groups in the bisamide molecule. In this study, the directionality of amide groups has been exploited as a structural characteristic to affect the arrangement of molecules in the crystalline state and produce different binary bisamide gelators with different degrees of crystallinities. Single odd- and even-spaced single bisamides were synthesized and blended to produce binary bisamide organogelators to be characterized in order to understand the effect of the different directionality of amide groups on the molecular interaction in the crystalline state. The pattern of molecular interactions between these blended molecules, mixing or phase separation, has been monitored via differential scanning calorimetry (DSC) and crystallography techniques; X-ray powder diffraction (XRD) and Small-angle X-ray scattering (SAXS). The formation of lamellar structures for odd- and even-spaced bisamide gelators was confirmed by using SAXS and XRD techniques. DSC results have shown that binary bisamide organogelators with different parity of methylene spacers (odd-even binary blends) have a higher tendency for phase separation compared to the binary bisamides with the same parity (odd-odd or even-even binary blends). Phase separation in binary odd-even bisamides was confirmed by the presence of individual (100) reflections of odd and even lamellar structures. The structural characteristic of bisamide organogelators, the parity of spacer length in binary systems, is a promising tool to control the arrangement of molecules and their crystalline structure.

Keywords: binary bisamide organogelators, crystalline structure, phase separation, self-assembly behavior

Procedia PDF Downloads 167

Authors: Moulay Driss Mellaoui, Khadija Zaki, Khalid Abbiche, Abdallah Imjjad, Rachid Boutiddar, Abdelouahid Sbai, Aaziz Jmiai, Souad El Issami, Al Mokhtar Lamsabhi, Hanane Zejli

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This study presents a comprehensive analysis of six isoxazolidine and isoxazoline derivatives, leveraging a multifaceted approach that combines Density Functional Theory (DFT), AdmetSAR analysis, and molecular docking simulations to explore their electronic, pharmacokinetic, and anticancer properties. Through DFT analysis, using the B3LYP-D3BJ functional and the 6-311++G(d,p) basis set, we optimized molecular geometries, analyzed vibrational frequencies, and mapped Molecular Electrostatic Potentials (MEP), identifying key sites for electrophilic attacks and hydrogen bonding. Frontier Molecular Orbital (FMO) analysis and Density of States (DOS) plots revealed varying stability levels among the compounds, with 1b, 2b, and 3b showing slightly higher stability. Chemical potential assessments indicated differences in binding affinities, suggesting stronger potential interactions for compounds 1b and 2b. AdmetSAR analysis predicted favorable human intestinal absorption (HIA) rates for all compounds, highlighting compound 3b superior oral effectiveness. Molecular docking and molecular dynamics simulations were conducted on isoxazolidine and 4-isoxazoline derivatives targeting the EGFR receptor (PDB: 1JU6). Molecular docking simulations confirmed the high affinity of these compounds towards the target protein 1JU6, particularly compound 3b, among the isoxazolidine derivatives, compound 3b exhibited the most favorable binding energy, with a g score of -8.50 kcal/mol. Molecular dynamics simulations over 100 nanoseconds demonstrated the stability and potential of compound 3b as a superior candidate for anticancer applications, further supported by structural analyses including RMSD, RMSF, Rg, and SASA values. This study underscores the promising role of compound 3b in anticancer treatments, providing a solid foundation for future drug development and optimization efforts.

Keywords: isoxazolines, DFT, molecular docking, molecular dynamic, ADMET, drugs.

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Authors: Sergio Luiz da Costa Junior, Carolina Fofonka Palomino, Paulo Cesar Lodi

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The use of light landfills is an effective solution for road works in soft ground sites, such as Rio de Janeiro (RJ) and Santos (SP) - the Southeastern Brazilian coast. The technique consists in replacing the topsoil by expandable polystyrene (EPS) geofoam, lined with geomembrane to prevent the attack of chemical products.Thus, knowing the interface shear strength of those materials is important in projects to avoid rupturing the system. The purpose of this paper is to compare the shear strength in the geomembrane-EPS interfaces by the direct shear test. The tests were performed under the dry and saturated condition, and four kind of high-density polyethylene (HDPE) 2,00mm geomembranes were used, smooth and texturized - manufactured in the flat die and blown film process. It was found that the shear strength is directly influenced by the roughness of the geomembrane, showed higher friction angle in the textured geomembrane. The direct shear test, in the saturated condition, also showed smaller friction angle than the now-wetted test.

Keywords: geofoam, geomembrane, soft ground, strength shear

Procedia PDF Downloads 287

Authors: Mohd Faridz Ahmad, Muhammad Amir Asyraf Rosli

Abstract:

Aerobic dance has becoming a popular mode of exercise especially among women due to its fun nature. With a catchy music background and joyful dance steps, aerobic dancers would be able to have fun while sweating out. Depending on its level of aggressiveness, aerobic may also improve and maintain cardiorespiratory fitness other than being a great tool for weight loss. This study intends to prove that aerobic dance activity can bring the same, if not better impacts on health than other types of cardiovascular exercise such as jogging and cycling. The objective of this study was to evaluate and identify the effect of six weeks aerobic dance on cardiovascular fitness and weight loss among women. This study, which was held in Seremban Fit Challenge, used a quasi-experimental design. The subjects selected include a total of 14 women (n = 14) with age (32.4 years old ± 9.1), weight (65.93 kg ± 11.24) and height (165.36 ± 3.46) who joined the Seremban Fit Challenge Season 13. The subjects were asked to join an aerobic dance class with duration of one hour for six weeks in a row. As for the outcome, cardiovascular fitness was measured with a 1-mile run test while any changes on weight was measured using the weighing scale. The result showed that there was a significant difference between pre and post-test for cardiovascular fitness when p = 0.02 < 0.05 and weight loss when p = 0.00 < 0.05. In conclusion, a six-week long aerobic dance program would have a positive effect on cardiovascular fitness and weight. Therefore, aerobic dance may be used as an alternative tool for people who wish to lead a healthy lifestyle in a fun way.

Keywords: aerobic dance, cardiovascular fitness, weight loss, 1-mile run test

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Authors: S. Kumchoo

Abstract:

The result of suggestion for low energy diet (1,000-1,200 kcal) in obese women to the effect on body weight, waist circumference and body mass index (BMI) in this experiment. Quisi experimental research was used for this study and it is a One-group pretest-posttest designs measurement method. The aim of this study was body weight, waist circumference and body mass index (BMI) reduction by using low energy diet (1,000-1,200 kcal) in obese women, the result found that in 15 of obese women that contained their body mass index (BMI) ≥ 30, after they obtained low energy diet (1,000-1,200 kcal) within 2 weeks. The data were collected before and after of testing the results showed that the average of body weight decrease 3.4 kilogram, waist circumference value decrease 6.1 centimeter and the body mass index (BMI) decrease 1.3 kg.m² from their previous body weight, waist circumference and body mass index (BMI) before experiment started. After this study, the volunteers got healthy and they can choose or select some food for themselves. For this study, the research can be improved for data development for forward study in the future.

Keywords: body weight, waist circumference, low energy diet, BMI

Procedia PDF Downloads 367

Authors: Anna Zimoch-Korzycka, Dominika Kulig, Andrzej Jarmoluk

Abstract:

The aim of this study was to obtain chitooligosaccharides from chitosan with better functional properties using three different enzyme preparations and compare the products of enzymatic hydrolysis. Commercially available cellulase (CL), xylanase (X) and chitosanase (CS) preparations were used to investigate hydrolytic activity on chitosan (CH) with low molecular weight and DD of 75-85%. It has been reported that CL and X have side activities of other enzymes, such as β-glucanase or β-glucosidase. CS enzyme has a foreign activity of chitinase. Each preparation was used in 1000 U of activity and in the same reaction conditions. The degree of deacetylation and molecular weight of chitosan were specified using titration and viscometric methods, respectively. The hydrolytic activity of enzymes preparations on chitosan was monitored by dynamic viscosity measurement. After 4 h reaction with stirring, solutions were filtered and chitosan oligomers were isolated by methanol solution into two fractions: precipitate (A) and supernatant (B). A Fourier-transform infrared spectroscopy was used to characterize the structural changes of chitosan oligomers fractions and initial chitosan. Furthermore, the solubility of lyophilized hydrolytic mixture (C) and two chitooligomers fractions (A, B) of each enzyme hydrolysis was assayed. The antioxidant activity of chitosan oligomers was evaluated as DPPH free radical scavenging activity. The dynamic viscosity measured after addition of enzymes preparation to the chitosan solution decreased dramatically over time in the sample with X in comparison to solution without the enzyme. For mixtures with CL and CS, lower viscosities were also recorded but not as low as the ones with X. A and B fractions were characterized by the most similar viscosity obtained by the xylanase hydrolysis and were 15 mPas and 9 mPas, respectively. Structural changes of chitosan oligomers A, B, C and their differences related with various enzyme preparations used were confirmed. Water solubility of A fractions was not possible to filter and the result was not recorded. Solubility of supernatants was approximately 95% and was higher than hydrolytic mixture. It was observed that the DPPH radical scavenging effect of A, B, C samples is the highest for X products and was approximately 13, 17, 19% respectively. In summary, a mixture of chitooligomers may be useful for the design of edible protective coatings due to the improved biophysical properties.

Keywords: cellulase, xylanase, chitosanase, chitosan, chitooligosaccharides

Procedia PDF Downloads 305

Authors: Aliro Villacorta, Laura Rubio, Mohamed Alaraby, Montserrat López Mesas, Victor Fuentes-Cebrian, Oscar H. Moriones, Ricard Marcos, Alba Hernández.

Abstract:

Micro and nano plastics (MNPLs) are emergent environmental pollutants requiring urgent information on their potential risks to human health. One of the problems associated with the evaluation of their undesirable effects is the lack of real samples matching those resulting from the environmental degradation of plastic wastes. To such end, we propose an easy method to obtain polyethylene terephthalate nano plastics from water plastic bottles (PET-NPLs) but, in principle, applicable to any other plastic goods sources. An extensive characterization indicates that the proposed process produces uniform samples of PET-NPLs of around 100 nm, as determined by using a multi-angle and dynamic light scattering methodology. An important point to be highlighted is that to avoid the metal contamination resulting from methods using metal blades/burrs for milling, trituration, or sanding, we propose to use diamond burrs to produce metal-free samples. To visualize the toxicological profile of the produced PET-NPLs, we have evaluated their ability to be internalized by cells, their cytotoxicity, and their ability to induce oxidative stress and induce DNA damage. In this preliminary approach, we have detected their cellular uptake, but without the induction of significant biological effects. Thus, no relevant increases in toxicity, reactive oxygen species (ROS) induction, or DNA damage -as detected with the comet assay- have been observed. The use of real samples, as produced in this study, will generate relevant data in the discussion about the potential health risks associated with MNPLs exposures.

Keywords: nanoplastics, polyethylene terephthalate, physicochemical characterization, cell uptake, cytotoxicity

Procedia PDF Downloads 73

Authors: S. Kumchoo

Abstract:

The result of suggestion for low energy diet (1,000-1,200 kcal) in obese women to the effect on body weight, waist circumference and body mass index (BMI) in this experiment. Quisi experimental research was used for this study and it is a One-group pretest-posttest designs measurement method. The aim of this study was body weight, waist circumference and body mass index (BMI) reduction by using low energy diet (1,000-1,200 kcal) in obese women, the result found that in 15 of obese women that contained their body mass index (BMI) ≥ 30, after they obtained low energy diet (1,000-1,200 kcal) within 2 weeks. The data were collected before and after of testing the results showed that the average of body weight decrease 3.4 kilogram, waist circumference value decrease 6.1 centimeter and the body mass index (BMI) decrease 1.3 kg.m2 from their previous body weight, waist circumference and body mass index (BMI) before experiment started. After this study, the volunteers got healthy and they can choose or select some food for themselves. For this study, the research can be improved for data development for forward study in the future.

Keywords: body weight, waist circumference, BMI, low energy diet

Procedia PDF Downloads 432

Authors: C. Juntarasaid, T. Pulngern, S. Chucheepsakul

Abstract:

A formulation of postbuckling analysis of end supported rods under self-weight has been presented by the variational method. The variational formulation involving the strain energy due to bending and the potential energy of the self-weight, are expressed in terms of the intrinsic coordinates. The variational formulation is accomplished by introducing the Lagrange multiplier technique to impose the boundary conditions. The finite element method is used to derive a system of nonlinear equations resulting from the stationary of the total potential energy and then Newton-Raphson iterative procedure is applied to solve this system of equations. The numerical results demonstrate the postbluckled configurations of end supported rods under self-weight. This finite element method based on variational formulation expressed in term of intrinsic coordinate is highly recommended for postbuckling analysis of end-supported rods under self-weight.

Keywords: postbuckling, finite element method, variational method, intrinsic coordinate

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Authors: Strahinja Z. Kovačević, Lidija R. Jevrić, Sanja O. Podunavac Kuzmanović

Abstract:

The relationship between antibacterial activity of eighteen different substituted benzimidazole derivatives and their molecular characteristics was studied using chemometric QSAR (Quantitative Structure–Activity Relationships) approach. QSAR analysis has been carried out on inhibitory activity towards Staphylococcus aureus, by using molecular descriptors, as well as minimal inhibitory activity (MIC). Molecular descriptors were calculated from the optimized structures. Principal component analysis (PCA) followed by hierarchical cluster analysis (HCA) and multiple linear regression (MLR) was performed in order to select molecular descriptors that best describe the antibacterial behavior of the compounds investigated, and to determine the similarities between molecules. The HCA grouped the molecules in separated clusters which have the similar inhibitory activity. PCA showed very similar classification of molecules as the HCA, and displayed which descriptors contribute to that classification. MLR equations, that represent MIC as a function of the in silico molecular descriptors were established. The statistical significance of the estimated models was confirmed by standard statistical measures and cross-validation parameters (SD = 0.0816, F = 46.27, R = 0.9791, R2CV = 0.8266, R2adj = 0.9379, PRESS = 0.1116). These parameters indicate the possibility of application of the established chemometric models in prediction of the antibacterial behaviour of studied derivatives and structurally very similar compounds.

Keywords: antibacterial, benzimidazole, molecular descriptors, QSAR

Procedia PDF Downloads 342

Authors: Tariq Ahmad Dar, Moinuddin, M. Masroor A. Khan

Abstract:

There is considerable need in enhancing the content and yield of active constituents of medicinal plants keeping in view their massive demand worldwide. Different strategies have been employed to enhance the active constituents of medicinal plants and the use of phytohormones has been proved effective in this regard. Gamma-irradiated Sodium alginate (ISA) is known to elicit an array of plant defense responses and biological activities in plants. Considering the medicinal importance, a pot experiment was conducted to explore the effect of ISA and phosphorus on growth, yield and quality of fenugreek (Trigonella foenum-graecum L.). ISA spray treatments (0, 40, 80 and 120 mg L-1) were applied alone and in combination with 40 kg P ha-1 (P40). Crop performance was assessed in terms of plant growth characteristics, physiological attributes, seed yield and the content of seed trigonelline. Of the ten-treatments, P40 + 80 mg L−1 of ISA proved the best. The results showed that foliar spray of ISA alone or in combination with P40 augmented the plant vegetative growth, enzymatic activities, trigonelline content, trigonelline yield and economic yield of fenugreek. Application of 80 mg L−1 of ISA applied with P40 gave the best results for almost all the parameters studied compared to control or to 80 mg L−1 of ISA applied alone. This treatment increased the total content of chlorophyll, carotenoids, leaf -N, -P and -K and trigonelline compared to the control by 24.85 and 27.40%, 15 and 23.52%, 18.70 and 16.84%, 15.88 and 18.92%, 12 and 14.44%, at 60 and 90 DAS respectively. The combined application of 80 mg L−1 of ISA along with P40 resulted in the maximum increase in seed yield, trigonelline content and trigonelline yield by146, 34 and 232.41%, respectively, over the control. Gel permeation chromatography revealed the formation of low molecular weight fractions in ISA samples, containing even less than 20,000 molecular weight oligomers, which might be responsible for plant growth promotion in this study. Trigonelline content was determined by reverse phase high performance liquid chromatography (HPLC) with C-18 column.

Keywords: gamma-irradiated sodium alginate, phosphorus, gel permeation chromatography, HPLC, trigonelline content, yield

Procedia PDF Downloads 302