Search results for: fatty acids profiles
1336 Effect of Dual-Oligo Saccharide on Loperamide-Induced Constipation in Rat Model
Authors: So Hyun Ahn, Geu Rim Seo, Byungsoo Shin, Kwang-Won Yu, Hyung Joo Suh, Sung Hee Han
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We investigated the effects of GOS, lactulose and DuOligo in loperamide-induced constipation rat model. Dual-Oligo saccharide (DuOligo) was composed with galacto-oligosaccharide (GOS) and lactulose. GOS is an important dietary prebiotics that affects intestinal microbiota and barrier functions to have beneficial effect and lactulose is used as a laxative to treat constipation. To study the DuOligo, after adaptation period of four weeks of Spraque-Dawley rats, loperamide (5 mg/kg, twice per day) was injected to induce constipation for 1 week. DuOligo increased the fecal pellet amount, fecal weight, and water content of feces in rats with loperamide-induced constipation. DuOligo groups tended to produce more total fatty acid than that of observed for the control group. Gastrointestinal transit ratio and length and area of intestinal mucosa increased after treatment with DuOligo in loperamide-induced rats. These results showed that oral administration of DuOligo significantly modulated intestinal peristalsis.Keywords: constipation, DuOligo, GOS, lactulose
Procedia PDF Downloads 4071335 Development of a Multi-User Country Specific Food Composition Table for Malawi
Authors: Averalda van Graan, Joelaine Chetty, Malory Links, Agness Mwangwela, Sitilitha Masangwi, Dalitso Chimwala, Shiban Ghosh, Elizabeth Marino-Costello
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Food composition data is becoming increasingly important as dealing with food insecurity and malnutrition in its persistent form of under-nutrition is now coupled with increasing over-nutrition and its related ailments in the developing world, of which Malawi is not spared. In the absence of a food composition database (FCDB) inherent to our dietary patterns, efforts were made to develop a country-specific FCDB for nutrition practice, research, and programming. The main objective was to develop a multi-user, country-specific food composition database, and table from existing published and unpublished scientific literature. A multi-phased approach guided by the project framework was employed. Phase 1 comprised a scoping mission to assess the nutrition landscape for compilation activities. Phase 2 involved training of a compiler and data collection from various sources, primarily; institutional libraries, online databases, and food industry nutrient data. Phase 3 subsumed evaluation and compilation of data using FAO and IN FOODS standards and guidelines. Phase 4 concluded the process with quality assurance. 316 Malawian food items categorized into eight food groups for 42 components were captured. The majority were from the baby food group (27%), followed by a staple (22%) and animal (22%) food group. Fats and oils consisted the least number of food items (2%), followed by fruits (6%). Proximate values are well represented; however, the percent missing data is huge for some components, including Se 68%, I 75%, Vitamin A 42%, and lipid profile; saturated fat 53%, mono-saturated fat 59%, poly-saturated fat 59% and cholesterol 56%. A multi-phased approach following the project framework led to the development of the first Malawian FCDB and table. The table reflects inherent Malawian dietary patterns and nutritional concerns. The FCDB can be used by various professionals in nutrition and health. Rising over-nutrition, NCD, and changing diets challenge us for nutrient profiles of processed foods and complete lipid profiles.Keywords: analytical data, dietary pattern, food composition data, multi-phased approach
Procedia PDF Downloads 931334 Thermal Analysis of a Composite of Coco Fiber and Látex
Authors: Elmo Thiago Lins Cöuras Ford, Valentina Alessandra Carvalho do Vale
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Given the unquestionable need of environmental preservation, the natural fibers have been seen as a salutary alternative for production of composites in substitution to the synthetic fibers, vitreous and metallic. In this work, the behavior of a composite was analyzed done with fiber of the peel of the coconut as reinforcement and latex as head office, when submitted the source of heat. The temperature profiles were verified in the internal surfaces and it expresses of the composite as well as the temperature gradient in the same. It was also analyzed the behavior of this composite when submitted to a cold source. As consequence, in function of the answers of the system, conclusions were reached.Keywords: natural fiber, composite, temperature, latex, gradient
Procedia PDF Downloads 8161333 The Analyzer: Clustering Based System for Improving Business Productivity by Analyzing User Profiles to Enhance Human Computer Interaction
Authors: Dona Shaini Abhilasha Nanayakkara, Kurugamage Jude Pravinda Gregory Perera
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E-commerce platforms have revolutionized the shopping experience, offering convenient ways for consumers to make purchases. To improve interactions with customers and optimize marketing strategies, it is essential for businesses to understand user behavior, preferences, and needs on these platforms. This paper focuses on recommending businesses to customize interactions with users based on their behavioral patterns, leveraging data-driven analysis and machine learning techniques. Businesses can improve engagement and boost the adoption of e-commerce platforms by aligning behavioral patterns with user goals of usability and satisfaction. We propose TheAnalyzer, a clustering-based system designed to enhance business productivity by analyzing user-profiles and improving human-computer interaction. The Analyzer seamlessly integrates with business applications, collecting relevant data points based on users' natural interactions without additional burdens such as questionnaires or surveys. It defines five key user analytics as features for its dataset, which are easily captured through users' interactions with e-commerce platforms. This research presents a study demonstrating the successful distinction of users into specific groups based on the five key analytics considered by TheAnalyzer. With the assistance of domain experts, customized business rules can be attached to each group, enabling The Analyzer to influence business applications and provide an enhanced personalized user experience. The outcomes are evaluated quantitatively and qualitatively, demonstrating that utilizing TheAnalyzer’s capabilities can optimize business outcomes, enhance customer satisfaction, and drive sustainable growth. The findings of this research contribute to the advancement of personalized interactions in e-commerce platforms. By leveraging user behavioral patterns and analyzing both new and existing users, businesses can effectively tailor their interactions to improve customer satisfaction, loyalty and ultimately drive sales.Keywords: data clustering, data standardization, dimensionality reduction, human computer interaction, user profiling
Procedia PDF Downloads 721332 Classification of Emotions in Emergency Call Center Conversations
Authors: Magdalena Igras, Joanna Grzybowska, Mariusz Ziółko
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The study of emotions expressed in emergency phone call is presented, covering both statistical analysis of emotions configurations and an attempt to automatically classify emotions. An emergency call is a situation usually accompanied by intense, authentic emotions. They influence (and may inhibit) the communication between caller and responder. In order to support responders in their responsible and psychically exhaustive work, we studied when and in which combinations emotions appeared in calls. A corpus of 45 hours of conversations (about 3300 calls) from emergency call center was collected. Each recording was manually tagged with labels of emotions valence (positive, negative or neutral), type (sadness, tiredness, anxiety, surprise, stress, anger, fury, calm, relief, compassion, satisfaction, amusement, joy) and arousal (weak, typical, varying, high) on the basis of perceptual judgment of two annotators. As we concluded, basic emotions tend to appear in specific configurations depending on the overall situational context and attitude of speaker. After performing statistical analysis we distinguished four main types of emotional behavior of callers: worry/helplessness (sadness, tiredness, compassion), alarm (anxiety, intense stress), mistake or neutral request for information (calm, surprise, sometimes with amusement) and pretension/insisting (anger, fury). The frequency of profiles was respectively: 51%, 21%, 18% and 8% of recordings. A model of presenting the complex emotional profiles on the two-dimensional (tension-insecurity) plane was introduced. In the stage of acoustic analysis, a set of prosodic parameters, as well as Mel-Frequency Cepstral Coefficients (MFCC) were used. Using these parameters, complex emotional states were modeled with machine learning techniques including Gaussian mixture models, decision trees and discriminant analysis. Results of classification with several methods will be presented and compared with the state of the art results obtained for classification of basic emotions. Future work will include optimization of the algorithm to perform in real time in order to track changes of emotions during a conversation.Keywords: acoustic analysis, complex emotions, emotion recognition, machine learning
Procedia PDF Downloads 3951331 Vineyard Soils of Karnataka - Characterization, Classification and Soil Site Suitability Evaluation
Authors: Harsha B. R., K. S. Anil Kumar
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Land characterization, classification, and soil suitability evaluation of grapes-growing pedons were assessed at fifteen taluks covering four agro climatic zones of Karnataka. Study on problems and potentials of grapes cultivation in selected agro-climatic zones was carried out along with the plant sample analysis. Twenty soil profiles were excavated as study site based on the dominance of area falling under grapes production and existing spatial variability of soils. The detailed information of profiles and horizon wise soil samples were collected to study the morphological, physical, chemical, and fertility characteristics. Climatic analysis and water retention characteristics of soils of major grapes-growing areas were also done. Based on the characterisation and classification study, it was revealed that soils of Doddaballapur (Bangalore Blue and Wine grapes), Bangalore North (GKVK Farm, Rajankunte, and IIHR Farm), Devanahalli, Magadi, Hoskote, Chikkaballapur (Dilkush and Red globe), Yelaburga, Hagari Bommanahalli, Bagalkot (UHS farm) and Indi fall under the soil order Alfisol. Vijaypur pedon of northern dry zone was keyed out as Vertisols whereas, Jamkhandi and Athani as Inceptisols. Properties of Aridisols were observed in B. Bagewadi (Manikchaman and Thompson Seedless) and Afzalpur. Soil fertility status and its mapping using GIS technique revealed that all the nutrients were found to be in adequate range except nitrogen, potassium, zinc, iron, and boron, which indicated the need for application along with organic matter to improve the SOC status. Varieties differed among themselves in yield and plant nutrient composition depending on their age, climatic, soil, and management requirements. Bangalore North (GKVK farm) and Jamkhandi are having medium soil organic carbon stocks of 6.21 and 6.55 kg m⁻³, respectively. Soils of Bangalore North (Rajankunte) were highly suitable (S1) for grapes cultivation. Under northern Karnataka, Vijayapura, B. Bagewadi, Indi, and Afzalpur vineyards were good performers despite the limitations of fertility and free lime content.Keywords: land characterization, suitability, soil orders, soil organic carbon stock
Procedia PDF Downloads 1121330 Near-Infrared Spectrometry as an Alternative Method for Determination of Oxidation Stability for Biodiesel
Authors: R. Velvarska, A. Vrablik, M. Fiedlerova, R. Cerny
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Near-infrared spectrometry (NIR) was tested as a rapid and alternative tool for determination of biodiesel oxidation stability. A PetroOxy method is standardly used for the determination, but this method is hazardous due to the possibility of explosion and ignition of flammable fuels. The second disadvantage is time consuming. The near-infrared spectrometry served for the development of the calibration model which was composed of 133 real samples (calibration standards). The reference values of these standards were obtained by PetroOxy method. Many chemometric diagnostics were used for the development of the final NIR model with the aim to have accurate prediction of the oxidation stability. The final NIR model was validated by 30 validation standards. The repeatability was determined as well with the acceptable residual standard deviation (8.59 %). The NIR spectrometry has proved to be an accurate alternative method for the determination of biodiesel oxidation stability with advantages as the time and cost saving, non-destructive character of analyzing and the possibility of online monitoring in safe mode.Keywords: biodiesel, fatty acid methyl ester, NIR, oxidation stability
Procedia PDF Downloads 1741329 Obtainment of Systems with Efavirenz and Lamellar Double Hydroxide as an Alternative for Solubility Improvement of the Drug
Authors: Danilo A. F. Fontes, Magaly A. M.Lyra, Maria L. C. Moura, Leslie R. M. Ferraz, Salvana P. M. Costa, Amanda C. Q. M. Vieira, Larissa A. Rolim, Giovanna C. R. M. Schver, Ping I. Lee, Severino Alves-Júnior, José L. Soares-Sobrinho, Pedro J. Rolim-Neto
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Efavirenz (EFV) is a first-choice drug in antiretroviral therapy with high efficacy in the treatment of infection by Human Immunodeficiency Virus, which causes Acquired Immune Deficiency Syndrome (AIDS). EFV has low solubility in water resulting in a decrease in the dissolution rate and, consequently, in its bioavailability. Among the technological alternatives to increase solubility, the Lamellar Double Hydroxides (LDH) have been applied in the development of systems with poorly water-soluble drugs. The use of analytical techniques such as X-Ray Diffraction (XRD), Infrared Spectroscopy (IR) and Differential Scanning Calorimetry (DSC) allowed the elucidation of drug interaction with the lamellar compounds. The objective of this work was to characterize and develop the binary systems with EFV and LDH in order to increase the solubility of the drug. The LDH-CaAl was synthesized by the method of co-precipitation from salt solutions of calcium nitrate and aluminum nitrate in basic medium. The systems EFV-LDH and their physical mixtures (PM) were obtained at different concentrations (5-60% of EFV) using the solvent technique described by Takahashi & Yamaguchi (1991). The characterization of the systems and the PM’s was performed by XRD techniques, IR, DSC and dissolution test under non-sink conditions. The results showed improvements in the solubility of EFV when associated with LDH, due to a possible change in its crystal structure and formation of an amorphous material. From the DSC results, one could see that the endothermic peak at 173°C, temperature that correspond to the melting process of EFZ in the crystal form, was present in the PM results. For the EFZ-LDH systems (with 5, 10 and 30% of drug loading), this peak was not observed. XRD profiles of the PM showed well-defined peaks for EFV. Analyzing the XRD patterns of the systems, it was found that the XRD profiles of all the systems showed complete attenuation of the characteristic peaks of the crystalline form of EFZ. The IR technique showed that, in the results of the PM, there was the appearance of one band and overlap of other bands, while the IR results of the systems with 5, 10 and 30% drug loading showed the disappearance of bands and a few others with reduced intensity. The dissolution test under non-sink conditions showed that systems with 5, 10 and 30% drug loading promoted a great increase in the solubility of EFV, but the system with 10% of drug loading was the only one that could keep substantial amount of drug in solution at different pHs.Keywords: Efavirenz, Lamellar Double Hydroxides, Pharmaceutical Techonology, Solubility
Procedia PDF Downloads 5811328 Accumulation of Heavy Metals in Safflower (Carthamus tinctorius L.)
Authors: Violina R. Angelova, Mariana N. Perifanova-Nemska, Galina P. Uzunova, Elitsa N. Kolentsova
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Comparative research has been conducted to allow us to determine the accumulation of heavy metals (Pb, Zn and Cd) in the vegetative and reproductive organs of safflower, and to identify the possibility of its growth on soils contaminated by heavy metals and efficacy for phytoremediation. The experiment was performed on an agricultural field contaminated by the Non-Ferrous-Metal Works (MFMW) near Plovdiv, Bulgaria. The experimental plots were situated at different distances (0.1, 0.5, 2.0, and 15 km) from the source of pollution. The contents of heavy metals in plant materials (roots, stems, leaves, seeds) were determined. The quality of safflower oils (heavy metals and fatty acid composition) was also determined. The quantitative measurements were carried out with inductively-coupled plasma (ICP). Safflower is a plant that is tolerant to heavy metals and can be referred to the hyperaccumulators of lead and cadmium and the accumulators of zinc. The plant can be successfully used in the phytoremediation of heavy metal contaminated soils. The processing of safflower seeds into oil and the use of the obtained oil will greatly reduce the cost of phytoremediation.Keywords: heavy metals, accumulation, safflower, polluted soils, phytoremediation
Procedia PDF Downloads 2621327 Cloning and Characterization of UDP-Glucose Pyrophosphorylases from Lactobacillus kefiranofaciens and Rhodococcus wratislaviensis
Authors: Mesfin Angaw Tesfay
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Uridine-5’-diphosphate (UDP)-glucose is one of the most versatile building blocks within the metabolism of prokaryotes and eukaryotes, serving as an activated sugar donor during the glycosylation of natural products. It is formed by the enzyme UDP-glucose pyrophosphorylase (UGPase) using uridine-5′-triphosphate (UTP) and α-d-glucose 1-phosphate as a substrate. Herein, two UGPase genes from Lactobacillus kefiranofaciens ZW3 (LkUGPase) and Rhodococcus wratislaviensis IFP 2016 (RwUGPase) were identified through genome mining approaches. The LkUGPase and RwUGPase have 299 and 306 amino acids, respectively. Both UGPase has the conserved UTP binding site (G-X-G-T-R-X-L-P) and the glucose -1-phosphate binding site (V-E-K-P). The LkUGPase and RwUGPase were cloned in E. coli, and SDS-PAGE analysis showed the expression of both enzymes forming about 36 KDa of protein band after induction. LkUGPase and RwUGPase have an activity of 1549.95 and 671.53 U/mg, respectively. Currently, their kinetic properties are under investigation.Keywords: UGPase, LkUGPase, RwUGPase, UDP-glucose, glycosylation
Procedia PDF Downloads 221326 Modification of Escherichia coli PtolT Expression Vector via Site-Directed Mutagenesis
Authors: Yakup Ulusu, Numan Eczacıoğlu, İsa Gökçe, Helen Waller, Jeremy H. Lakey
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Besides having the appropriate amino acid sequence to perform the function of proteins, it is important to have correct conformation after this sequence to process. To consist of this conformation depends on the amino acid sequence at the primary structure, hydrophobic interaction, chaperones and enzymes in charge of folding etc. Misfolded proteins are not functional and tend to be aggregated. Cysteine originating disulfide cross-links make stable this conformation of functional proteins. When two of the cysteine amino acids come side by side, disulfide bond is established that forms a cystine bridge. Due to this feature cysteine plays an important role on the formation of three-dimensional structure of many proteins. There are two cysteine amino acids (C44, C69) in the Tol-A-III protein. Unlike protein disulfide bonds from within his own, any non-specific cystine bridge causes a change in the three dimensional structure of the protein. Proteins can be expressed in various host cells as directly or fusion (chimeric). As a result of overproduction of the recombinant proteins, aggregation of insoluble proteins in the host cell can occur by forming a crystal structure called inclusion body. In general fusion proteins are produced for provide affinity tags to make proteins more soluble and production of some toxic proteins via fusion protein expression system like pTolT. Proteins can be modified by using a site-directed mutagenesis. By this way, creation of non-specific disulfide crosslinks can be prevented at fusion protein expression system via the present cysteine replaced by another amino acid such as serine, glycine or etc. To do this, we need; a DNA molecule that contains the gene that encodes for the target protein, required primers for mutation to be designed according to site directed mutagenesis reaction. This study was aimed to be replaced cysteine encoding codon TGT with serine encoding codon AGT. For this sense and reverse primers designed (given below) and used site-directed mutagenesis reaction. Several new copy of the template plasmid DNA has been formed with above mentioned mutagenic primers via polymerase chain reaction (PCR). PCR product consists of both the master template DNA (wild type) and the new DNA sequences containing mutations. Dpn-l endonuclease restriction enzyme which is specific for methylated DNA and cuts them to the elimination of the master template DNA. E. coli cells obtained after transformation were incubated LB medium with antibiotic. After purification of plasmid DNA from E. coli, the presence of the mutation was determined by DNA sequence analysis. Developed this new plasmid is called PtolT-δ.Keywords: site directed mutagenesis, Escherichia coli, pTolT, protein expression
Procedia PDF Downloads 3731325 In vitro and in vivo Infectivity of Coxiella burnetii Strains from French Livestock
Authors: Joulié Aurélien, Jourdain Elsa, Bailly Xavier, Gasqui Patrick, Yang Elise, Leblond Agnès, Rousset Elodie, Sidi-Boumedine Karim
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Q fever is a worldwide zoonosis caused by the gram-negative obligate intracellular bacterium Coxiella burnetii. Following the recent outbreaks in the Netherlands, a hyper virulent clone was found to be the cause of severe human cases of Q fever. In livestock, Q fever clinical manifestations are mainly abortions. Although the abortion rates differ between ruminant species, C. burnetii’s virulence remains understudied, especially in enzootic areas. In this study, the infectious potential of three C. burnetii isolates collected from French farms of small ruminants were compared to the reference strain Nine Mile (in phase II and in an intermediate phase) using an in vivo (CD1 mice) model. Mice were challenged with 105 live bacteria discriminated by propidium monoazide-qPCR targeting the icd-gene. After footpad inoculation, spleen and popliteal lymph node were harvested at 10 days post-inoculation (p.i). The strain invasiveness in spleen and popliteal nodes was assessed by qPCR assays targeting the icd-gene. Preliminary results showed that the avirulent strains (in phase 2) failed to pass the popliteal barrier and then to colonize the spleen. This model allowed a significant differentiation between strain’s invasiveness on biological host and therefore identifying distinct virulence profiles. In view of these results, we plan to go further by testing fifteen additional C. burnetii isolates from French farms of sheep, goat and cattle by using the above-mentioned in vivo model. All 15 strains display distant MLVA (multiple-locus variable-number of tandem repeat analysis) genotypic profiles. Five of the fifteen isolates will bee also tested in vitro on ovine and bovine macrophage cells. Cells and supernatants will be harvested at day1, day2, day3 and day6 p.i to assess in vitro multiplication kinetics of strains. In conclusion, our findings might help the implementation of surveillance of virulent strains and ultimately allow adapting prophylaxis measures in livestock farms.Keywords: Q fever, invasiveness, ruminant, virulence
Procedia PDF Downloads 3591324 Effects of the Non-Newtonian Viscosity of Blood on Flow Field in a Constricted Artery with a Porous Plaque
Authors: Maedeh Shojaeizadeh, Amirreza Yeganegi
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Nowadays many people lose their lives due to cardiovascular diseases. Inappropriate food habits and lack of exercise expedite deposit process of fatty substances on inner surface of blood arteries. This abnormal lump disturbs uniform blood flow and reduces oxygen delivery to active organs. This work presents a numerical simulation of Non-Newtonian blood flow in a stenosis vessel. The vessel is considered as two dimensional channel and plaque area is modelled as a homogenous porous medium. To simulate blood flow reaction around stenosis region, we use C++ code and solve coupled Cauchy, Darcy, governing continuity and energy equations. The analyses results show that viscosity power (n) plays an important role in flow separation and the size of the eddy at the downstream edge of the plaque. It is also observed that with increasing (n) value, temperature discontinuity and likelihood of vessel rupture declined.Keywords: blood flow, computational fluid dynamic, porosity, power law fluid
Procedia PDF Downloads 4581323 Toxicity of Solenstemma Argel (Hargal ) on Nubian Goats
Authors: Amna B. Medani, M. A. Elbadwi Samia, Hassan A. Khalid
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In our study, nine Nubian goat kids were obtained, allotted into three groups, and healthily adapted in pens within the premises of the Veterinary Teaching Hospital, University of Khartoum to be given the oral doses of the dried herb shoots at daily doses of 1 and 5 gm/kg/day with drinking water, while the kids of the control group were left undosed. All goats were slaughtered,if not died, after 35 days. S. argel at the given doses caused signs of arched posture, ruffled hair, shivering and paralysis of limbs. On post mortem, lesions were seen to be hepatic fatty changes, renal necrosis, congested lungs and inflamed intestines. Serum chemistry investigations revealed significant increase (P< 0.05-0.01) in the activities of ALP(alkaline phosphates) and AST( aspartate-aminotransferase) in goats dosed with 5 gm /kg/ day. Also observed were significant increases in inorganic phosphorus and urea concentrations (P < 0.05-0.01) in both dosed goat groups. .Other investigations including the activity of GGT( gamma glutamyltransferase), creatinine, calcium, total protein and albumin illustrated no significant difference from that of the undosed controls. On haematological evaluation , the goat kids dosed with 5 gm/kg/dayshowed a decrease in haemoglobin concentration and red blood cells count of (P < 0.05-0.01).Both groups of dosed goats showed a higher packed cell volume values of (P < 0.05) when compared to the control goats .Mean corpuscular haemoglobin values were not different from those of the control kids. S. argel at the given doses caused signs of arched posture, ruffled hair, shivering and paralysis of limbs. On post mortem, lesions were seen to be hepatic fatty changes, renal necrosis, congested lungs and inflamed intestines. Serum chemistry investigations revealed significant increase (P < 0.05-0.01) in the activities of ALP(alkaline phosphates) and AST( aspartate-aminotransferase) in goats dosed with 5 gm /kg/ day. Also observed were significant increases in inorganic phosphorus and urea concentrations (P < 0.05-0.01) in both dosed goat groups. .Other investigations including the activity of GGT( gamma-glutamyltransferase), creatinine, calcium, total protein and albumin illustrated no significant difference from that of the undosed controls. calcium, total protein and albumin illustrated no significant difference from that of the undosed controls. On haematological evaluation , the goat kids dosed with 5 gm/kg/dayshowed a decrease in haemoglobin concentration and red blood cells count of (P < 0.05-0.01).Both groups of dosed goats showed a higher packed cell volume values of (P < 0.05) when compared to the control goats .Mean corpuscular haemoglobin values were not different from those of the control kids. Data obtained were then discussed to find S. argel irritable to intestines , toxic to the kidney and liver and a haematological mild toxin.Suggestions for future were forwarded.Keywords: hargal, nubian goats, solenstemma argel, toxicity
Procedia PDF Downloads 3201322 Formation of the Water Assisted Supramolecular Assembly in the Transition Structure of Organocatalytic Asymmetric Aldol Reaction: A DFT Study
Authors: Kuheli Chakrabarty, Animesh Ghosh, Atanu Roy, Gourab Kanti Das
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Aldol reaction is an important class of carbon-carbon bond forming reactions. One of the popular ways to impose asymmetry in aldol reaction is the introduction of chiral auxiliary that binds the approaching reactants and create dissymmetry in the reaction environment, which finally evolves to enantiomeric excess in the aldol products. The last decade witnesses the usage of natural amino acids as chiral auxiliary to control the stereoselectivity in various carbon-carbon bond forming processes. In this context, L-proline was found to be an effective organocatalyst in asymmetric aldol additions. In last few decades the use of water as solvent or co-solvent in asymmetric organocatalytic reaction is increased sharply. Simple amino acids like L-proline does not catalyze asymmetric aldol reaction in aqueous medium not only that, In organic solvent medium high catalytic loading (~30 mol%) is required to achieve moderate to high asymmetric induction. In this context, huge efforts have been made to modify L-proline and 4-hydroxy-L-proline to prepare organocatalyst for aqueous medium asymmetric aldol reaction. Here, we report the result of our DFT calculations on asymmetric aldol reaction of benzaldehyde, p-NO2 benzaldehyde and t-butyraldehyde with a number of ketones using L-proline hydrazide as organocatalyst in wet solvent free condition. Gaussian 09 program package and Gauss View program were used for the present work. Geometry optimizations were performed using B3LYP hybrid functional and 6-31G(d,p) basis set. Transition structures were confirmed by hessian calculation and IRC calculation. As the reactions were carried out in solvent free condition, No solvent effect were studied theoretically. Present study has revealed for the first time, the direct involvement of two water molecules in the aldol transition structures. In the TS, the enamine and the aldehyde is connected through hydrogen bonding by the assistance of two intervening water molecules forming a supramolecular network. Formation of this type of supramolecular assembly is possible due to the presence of protonated -NH2 group in the L-proline hydrazide moiety, which is responsible for the favorable entropy contribution to the aldol reaction. It is also revealed from the present study that, water assisted TS is energetically more favorable than the TS without involving any water molecule. It can be concluded from this study that, insertion of polar group capable of hydrogen bond formation in the L-proline skeleton can lead to a favorable aldol reaction with significantly high enantiomeric excess in wet solvent free condition by reducing the activation barrier of this reaction.Keywords: aldol reaction, DFT, organocatalysis, transition structure
Procedia PDF Downloads 4311321 Hydrochemical Contamination Profiling and Spatial-Temporal Mapping with the Support of Multivariate and Cluster Statistical Analysis
Authors: Sofia Barbosa, Mariana Pinto, José António Almeida, Edgar Carvalho, Catarina Diamantino
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The aim of this work was to test a methodology able to generate spatial-temporal maps that can synthesize simultaneously the trends of distinct hydrochemical indicators in an old radium-uranium tailings dam deposit. Multidimensionality reduction derived from principal component analysis and subsequent data aggregation derived from clustering analysis allow to identify distinct hydrochemical behavioural profiles and to generate synthetic evolutionary hydrochemical maps.Keywords: Contamination plume migration, K-means of PCA scores, groundwater and mine water monitoring, spatial-temporal hydrochemical trends
Procedia PDF Downloads 2331320 Oxidation of Alcohols Types Using Nano-Graphene Oxide (NGO) as Heterogeneous Catalyst
Authors: Ali Gharib, Leila Vojdanifard, Nader Noroozi Pesyan, Mina Roshani
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We describe an efficient method for oxidation of alcohols to related aldehydes and ketones by hydrogen peroxide as oxidizing agent, under reflux conditions. Nano-graphene oxide (NGO) as a heterogeneous catalyst was used and had their activity compared with other various catalysts. This catalyst was found to be an excellent catalyst for oxidation of alcohols. The effects of various parameters, including catalyst type, nature of the substituent in the alcohols and temperature, on the yield of the carboxylic acids were studied. Nano-graphene oxide was synthesized by the oxidation of graphite powders. This nanocatalyst was found to be highly efficient in this reaction and products were obtained in good to excellent yields. The recovered nano-catalyst was successfully reused for several runs without significant loss in its catalytic activity.Keywords: nano-graphene oxide, oxidation, aldehyde, ketone, catalyst
Procedia PDF Downloads 4221319 Multilingualism and the Creation of New Languages: The Case of Camfranglais Spoken in Italy and Germany
Authors: Jocelyne Kenne Kenne
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Previous works in the field of sociolinguistics have explored the various outcomes of linguistic pluralism. One of these outcomes is the creation of new languages. The presentation will focus on one of such languages, Camfranglais, a hybrid language spoken by Cameroonians. It appeared in the 1970s in the francophone area in Cameroon and developed as a result of interactions between French, English, Cameroonian Pidgin English and local Cameroonian languages, all languages spoken in Cameroon. With the migration of Cameroonians to Europe, researches have been conducted to analyze the sociolinguistic profile of Cameroonians in their new environment. The emphasis on this presentation will be on two recent studies that have been conducted to analyze the peculiarity of Camfranglais in two European countries: Germany and Italy. The research involved 59 Cameroonians living in Italy and 49 Cameroonians residing in Germany. The respondents were composed of participants from different linguistic background, students and workers, married and single. A combination of quantitative and qualitative research methods was employed. The field study was divided into three parts. The first part was focused on observing the Cameroonians interact in different places such as in canteens, in the university halls of residence, lecture theatres, at homes, at various Cameroonian meetings. Those observations were accompanied by audio-recordings of the various interactions. The aim was to study communication between Cameroonians to see whether they use Camfranglais or not; if yes, in which domains and what were the speakers’ linguistic profiles. Additionally, questionnaires of different lengths were used to collect biographical information concerning the participants and their sociolinguistic profile and finally, in-depth interviews with Cameroonians were conducted to inquire about the use, the functions and the importance of this language in the migratory context. The results of the research demonstrate how a widespread use of Camfranglais by Cameroonians in Germany and Italy reveal a longing for home on the one hand and a sign of belonging on the other. It also shows the differences that exist between the profiles of Camfranglais speakers in Europe and the speakers in Cameroon notably in terms of age and social class. Finally, it points out some differences in the use, the structure and the functions of this hybrid language in the migratory setting. This study is a contribution to existing research in the field of contact languages and can serve as a comparison for other situations of multilingualism and the creation of mixed languages. Furthermore, with globalization, the study of migrant languages and the contact of these languages with new languages are topics that might be productive for further research in the field of sociolinguistics.Keywords: interaction, migrants language, multilingualism, mixed languages
Procedia PDF Downloads 2121318 Changing Behaviour in the Digital Era: A Concrete Use Case from the Domain of Health
Authors: Francesca Spagnoli, Shenja van der Graaf, Pieter Ballon
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Humans do not behave rationally. We are emotional, easily influenced by others, as well as by our context. The study of human behaviour became a supreme endeavour within many academic disciplines, including economics, sociology, and clinical and social psychology. Understanding what motivates humans and triggers them to perform certain activities, and what it takes to change their behaviour, is central both for researchers and companies, as well as policy makers to implement efficient public policies. While numerous theoretical approaches for diverse domains such as health, retail, environment have been developed, the methodological models guiding the evaluation of such research have reached for a long time their limits. Within this context, digitisation, the Information and communication technologies (ICT) and wearable, the Internet of Things (IoT) connecting networks of devices, and new possibilities to collect and analyse massive amounts of data made it possible to study behaviour from a realistic perspective, as never before. Digital technologies make it possible to (1) capture data in real-life settings, (2) regain control over data by capturing the context of behaviour, and (3) analyse huge set of information through continuous measurement. Within this complex context, this paper describes a new framework for initiating behavioural change, capitalising on the digital developments in applied research projects and applicable both to academia, enterprises and policy makers. By applying this model, behavioural research can be conducted to address the issues of different domains, such as mobility, environment, health or media. The Modular Behavioural Analysis Approach (MBAA) is here described and firstly validated through a concrete use case within the domain of health. The results gathered have proven that disclosing information about health in connection with the use of digital apps for health, can be a leverage for changing behaviour, but it is only a first component requiring further follow-up actions. To this end, a clear definition of different 'behavioural profiles', towards which addressing several typologies of interventions, it is essential to effectively enable behavioural change. In the refined version of the MBAA a strong focus will rely on defining a methodology for shaping 'behavioural profiles' and related interventions, as well as the evaluation of side-effects on the creation of new business models and sustainability plans.Keywords: behavioural change, framework, health, nudging, sustainability
Procedia PDF Downloads 2201317 Mechanical and Microstructural Properties of Rotary-Swaged Wire of Commercial-Purity Titanium
Authors: Michal Duchek, Jan Palán, Tomas Kubina
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Bars made of titanium grade 2 and grade 4 were subjected to rotary forging with up to 2.2 true strain reduction in the cross-section from 10 to 3.81 mm. During progressive deformation, grain refinement in the transverse direction took place. In the longitudinal direction, ultrafine microstructure has not developed. It has been demonstrated that titanium grade 2 strengthens more than grade 4. The ultimate tensile strength increased from 650 MPa to 1040 MPa in titanium grade 4. Hardness profiles on the cross section in both materials show an increase in the centre of the wire.Keywords: commercial-purity titanium, wire, rotary swaging, tensile test, hardness, modulus of elasticity, microstructure
Procedia PDF Downloads 2351316 Tribological Characterization of ZrN Coatings on Titanium Modified Austenitic Stainless Steel
Authors: Mohammad Farooq Wani
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Tribological characterization of ZrN coatings deposited on titanium modified austenitic stainless steel (alloy D-9) substrates has been investigated. The coatings were deposited in the deposition temperature range 300–873 K, using the pulsed magnetron sputtering technique. Scratch adhesion tests were carried out using Rc indenter under various conditions of load. Detailed tribological studies were conducted to understand the friction and wear behaviour of these coatings. For all tribological studies steel and ceramic balls were used as counter face material. 3D-Surface profiles of all wear tracks was carried out using 3D universal profiler.Keywords: ZrN, Surafce coating, thin film, tribology, friction and wear
Procedia PDF Downloads 4271315 Synthesis, Characterization, and Glass Fiber Reinforcement of Furan-Maleimide Polyimides
Authors: Yogesh S. Patel
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Novel polyimides were synthesized by Diels–Alder polymerization. Bisfuran was reacted with a couple of bismaleimides containing diglycidyl ether of bisphenol-A and F (epoxy) segment to obtain Diels–Alder polyadducts. Polyadducts were then aromatized and imidized (i.e. cyclized) through carboxylic and amide groups to afford polyimides. Synthesized polyadducts and polyimides were characterized by elemental analysis, spectral features, the number of average molecular weight (Mn) and thermal analysis. The ‘in situ’ glass fiber reinforced composites were prepared and characterized by mechanical, electrical, and chemical properties. These properties were compared with the other reported polyimides. All the composites showed good mechanical and electrical properties and good resistance to organic solvents and mineral acids.Keywords: Diels-Alder reaction, bisfuran, bismaleimides, polyimide
Procedia PDF Downloads 3711314 Descent Algorithms for Optimization Algorithms Using q-Derivative
Authors: Geetanjali Panda, Suvrakanti Chakraborty
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In this paper, Newton-like descent methods are proposed for unconstrained optimization problems, which use q-derivatives of the gradient of an objective function. First, a local scheme is developed with alternative sufficient optimality condition, and then the method is extended to a global scheme. Moreover, a variant of practical Newton scheme is also developed introducing a real sequence. Global convergence of these schemes is proved under some mild conditions. Numerical experiments and graphical illustrations are provided. Finally, the performance profiles on a test set show that the proposed schemes are competitive to the existing first-order schemes for optimization problems.Keywords: Descent algorithm, line search method, q calculus, Quasi Newton method
Procedia PDF Downloads 3961313 Functionalization of Nanomaterials for Bio-Sensing Applications: Current Progress and Future Prospective
Authors: Temesgen Geremew Tefery
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Nanomaterials, due to their unique properties, have revolutionized the field of biosensing. Their functionalization, or modification with specific molecules, is crucial for enhancing their biocompatibility, selectivity, and sensitivity. This review explores recent advancements in nanomaterial functionalization for biosensing applications. We discuss various strategies, including covalent and non-covalent modifications, and their impact on biosensor performance. The use of biomolecules like antibodies, enzymes, and nucleic acids for targeted detection is highlighted. Furthermore, the integration of nanomaterials with different sensing modalities, such as electrochemical, optical, and mechanical, is examined. The future outlook for nanomaterial-based biosensing is promising, with potential applications in healthcare, environmental monitoring, and food safety. However, challenges related to biocompatibility, scalability, and cost-effectiveness need to be addressed. Continued research and development in this area will likely lead to even more sophisticated and versatile biosensing technologies.Keywords: biosensing, nanomaterials, biotechnology, nanotechnology
Procedia PDF Downloads 251312 Sex Positions Decisions and Negotiations of Sexual Pleasure and Gender in Ghana
Authors: Daniel Y. Fiaveh, Chimaraoke O. Izugbara
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Based on the narratives of 20 women and 16 men, the paper explores how knowing more about the factors that trigger sex positions decisions advance knowledge of male and female sexuality, and how these translate into higher levels of female sexual negotiations in Ghana. Findings demonstrated that the willingness to perform sex positions or not were gendered and derive, at least in part, from differences in demographic profiles (such as age, gender, and marriage), beliefs associated with sexual practices (such as anal sex), the desire to maximize sexual pleasure, and sexual myths and misconceptions e.g. fear of infecundity. The women were not passive to sex positions decisions and engaged in a dialogical sexual encounter with men including threats of sexual refusal in negotiating sex.Keywords: sexual positions, sexual pleasure, masculinity, femininity, Ghana
Procedia PDF Downloads 4791311 Consumer Load Profile Determination with Entropy-Based K-Means Algorithm
Authors: Ioannis P. Panapakidis, Marios N. Moschakis
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With the continuous increment of smart meter installations across the globe, the need for processing of the load data is evident. Clustering-based load profiling is built upon the utilization of unsupervised machine learning tools for the purpose of formulating the typical load curves or load profiles. The most commonly used algorithm in the load profiling literature is the K-means. While the algorithm has been successfully tested in a variety of applications, its drawback is the strong dependence in the initialization phase. This paper proposes a novel modified form of the K-means that addresses the aforementioned problem. Simulation results indicate the superiority of the proposed algorithm compared to the K-means.Keywords: clustering, load profiling, load modeling, machine learning, energy efficiency and quality
Procedia PDF Downloads 1631310 Unsteady Stagnation-Point Flow towards a Shrinking Sheet with Radiation Effect
Authors: F. M. Ali, R. Nazar, N. M. Arifin, I. Pop
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In this paper, the problem of unsteady stagnation-point flow and heat transfer induced by a shrinking sheet in the presence of radiation effect is studied. The transformed boundary layer equations are solved numerically by the shooting method. The influence of radiation, unsteadiness and shrinking parameters, and the Prandtl number on the reduced skin friction coefficient and the heat transfer coefficient, as well as the velocity and temperature profiles are presented and discussed in detail. It is found that dual solutions exist and the temperature distribution becomes less significant with radiation parameter.Keywords: heat transfer, radiation effect, shrinking sheet unsteady flow
Procedia PDF Downloads 3841309 Corrosion Protection of Structural Steel by Surfactant Containing Reagents
Authors: D. Erdenechimeg, T. Bujinlkham, N. Erdenepurev
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The anti-corrosion performance of fatty acid coated mild steel samples is studied. Samples of structural steel coated with collector reagents deposited from surfactant in ethanol solution and overcoated with an epoxy barrier paint. A quantitative corrosion rate was determined by linear polarization resistance method using biopotentiostat/galvanostat 400. Coating morphology was determined by scanning electronic microscopy. A test for hydrophobic surface of steel by surfactant was done. From the samples, the main component or high content iron was determined by chemical method and other metal contents were determined by Inductively Coupled Plasma-Optical Emission Spectrometry (ICP-OES) method. Prior to measuring the corrosion rate, mechanical and chemical treatments were performed to prepare the test specimens. Overcoating the metal samples with epoxy barrier paint after exposing them with surfactant the corrosion rate can be inhibited by 34-35 µm/year.Keywords: corrosion, linear polarization resistance, coating, surfactant
Procedia PDF Downloads 981308 Cloning and Characterization of Uridine-5’-Diphosphate -Glucose Pyrophosphorylases from Lactobacillus Kefiranofaciens and Rhodococcus Wratislaviensis
Authors: Mesfin Angaw Tesfay
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Uridine-5’-diphosphate (UDP)-glucose is one of the most versatile building blocks within the metabolism of prokaryotes and eukaryotes serving as an activated sugar donor during the glycosylation of natural products. It is formed by the enzyme UDP-glucose pyrophosphorylase (UGPase) using uridine-5′-triphosphate (UTP) and α-d-glucose 1-phosphate as a substrate. Herein two UGPase genes from Lactobacillus kefiranofaciens ZW3 (LkUGPase) and Rhodococcus wratislaviensis IFP 2016 (RwUGPase) were identified through genome mining approaches. The LkUGPase and RwUGPase have 299 and 306 amino acids, respectively. Both UGPase has the conserved UTP binding site (G-X-G-T-R-X-L-P) and the glucose -1-phosphate binding site (V-E-K-P). The LkUGPase and RwUGPase were cloned in E. coli and SDS-PAGE analysis showed the expression of both enzymes forming about 36 KDa of protein band after induction. LkUGPase and RwUGPase have an activity of 1549.95 and 671.53 U/mg respectively. Currently, their kinetic properties are under investigation.Keywords: UGPase, LkUGPase, RwUGPase, UDP-glucose, Glycosylation
Procedia PDF Downloads 181307 A CFD Analysis of Flow through a High-Pressure Natural Gas Pipeline with an Undeformed and Deformed Orifice Plate
Authors: R. Kiš, M. Malcho, M. Janovcová
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This work aims to present a numerical analysis of the natural gas which flows through a high-pressure pipeline and an orifice plate, through the use of CFD methods. The paper contains CFD calculations for the flow of natural gas in a pipe with different geometry used for the orifice plates. One of them has a standard geometry and a shape without any deformation and the other is deformed by the action of the pressure differential. It shows the behaviour of natural gas in a pipeline using the velocity profiles and pressure fields of the gas in both models with their differences. The entire research is based on the elimination of any inaccuracy which should appear in the flow of the natural gas measured in the high-pressure pipelines of the gas industry and which is currently not given in the relevant standard.Keywords: orifice plate, high-pressure pipeline, natural gas, CFD analysis
Procedia PDF Downloads 377