Search results for: Compound Word
772 Phonetics and Phonological Investigation of Geminates and Gemination in Some Indic Languages
Authors: Hifzur Ansary
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The aim and scope of the present research are to delve into the form of geminates and the process of gemination with special reference to Indic Languages. This work presents the results of a cross-linguistic investigation of word-medial geminate consonants. This study is a theoretical as well as experimental, that is, it is based not only on impressionistic data from Indic languages but also on an instrumental analysis of the data. The primary data have been collected from the native speakers. The secondary data have been collected from printed materials such as journals, grammar books and other published articles. The observations made in this study have been checked with a number of educated native speakers of Bangla and Telugu. The study focuses on geminates and gemination in Bangla (Indo-Aryan Language Family) and Telugu (Dravidian Language family) exhaustively. Thus this study also attempts to posit the valid geminates in Bangali and Telugu and provides an account of gemination in these languages. It also makes a comparison of singletons and geminated consonants. It describes the distribution of geminate phonemes and non-geminate phonemes of Bangla and Telugu. The present research would also investigate the vowel lengthening in Bangla with respect to gemination. The study also explains how gemination processes present in Indian Languages are transferred to Indian English.Keywords: geminate consonant, singleton-geminate contrast, different types of assimilation, gemination derives from borrowed words
Procedia PDF Downloads 285771 Difficulties in Pronouncing the English Bilabial Plosive Sounds among EFL Students
Authors: Ali Mohammed Saleh Al-Hamzi
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This study aims at finding out the most difficult position in pronouncing the bilabial plosive sounds at the fourth level of English foreign language students of the Faculty of Education, Mahweet, Sana’a University in Yemen. The subject of this study were 50 participants from English foreign language students aged 22-25. In describing sounds according to their place of articulation, sounds are classified as bilabial, labiodental, dental, alveolar, post-alveolar, palato-alveolar retroflex, palatal, velar, uvular, and glottal. In much the same way, sounds can be described in their manner of articulation as plosives, nasals, affricates, flaps, taps, rolls, fricatives, laterals, frictionless continuants, and semi-vowels. For English foreign language students in Yemen, there are some articulators that are difficult to pronounce. In this study, the researcher focuses on difficulties in pronouncing the English bilabial plosive sounds among English foreign language students. It can be in the initial, medial, and final positions. The problem discussed in this study was: which position is the most difficult in pronouncing the English bilabial plosive sounds? To solve the problem, a descriptive qualitative method was conducted in this study. The data were collected from each English bilabial plosive sounds produced by students. Finally, the researcher reached that the most difficult position in pronouncing the English bilabial plosive sounds is when English bilabial plosive /p/ and /b/ occur word-finally, where both are voiceless.Keywords: difficulty, EFL students’ pronunciation, bilabial sounds, plosive sounds
Procedia PDF Downloads 145770 E-Tongue Based on Metallo-Porphyrins for Histamine Evaluation
Authors: A. M. Iordache, S. M. Iordache, V. Barna, M. Elisa, I. C. Vasiliu, C. R. Stefan, I. Chilibon, I. Stamatin, S. Caramizoiu, C. E. A. Grigorescu
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The general objective of the presentation is the development of an e-tongue like sensor based on modified screen printed electrode (SPE) structures with a receptor part made of porphyrins/metalloporphyrins chemically bound to graphene (the sensitive assembly) to act as antennas and “capture” the histamine molecules. Using a single, ultra-sensitive electrochemical sensor, we measured the concentration of histamine, a compound which is strongly connected to the level of freshness in foods (the caution level of histamine is 50 ppm, whereas the maximum accepted levels range from 200 ppm to 500 ppm). Our approach for the chemical immobilization of the porphyrins onto the surface of the graphenes was via substitution reaction: a solution of graphene in SOCl2 was heated to 800C for 6 hours. Upon cooling, the metallo-porphyrins were added and ultrasonicated for 4 hours. The solution was then allowed to cool to room temperature and then centrifuged in order to separate the deposit. The sensitive assembly was drop casted onto the carbon SPE and cyclic voltammetry was performed in the presence of histamine. The reaction is quasi-reversible and the sensor showed an oxidation potential for histamine at 600 mV. The results indicate a linear dependence of concentration of histamine as function of intensity. The results are reproducible; however the chemical stability of the sensitive assembly is low.Keywords: histamine, cyclic voltammetry, metallo-porphyrin, food freshness
Procedia PDF Downloads 139769 The Application of Cellulose-Based Halloysite-Carbon Adsorbent to Remove Chloroxylenol from Water
Authors: Laura Frydel
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Chloroxylenol is a common ingredient in disinfectants. Due to the use of this compound in large amounts, it is more and more often detected in rivers, sewage, and also in human body fluids. In recent years, there have been concerns about the potentially harmful effects of chloroxylenol on human health and the environment. This paper presents the synthesis, a brief characterization and the use of a halloysite-carbon adsorbent for the removal of chloroxylenol from water. The template in the halloysite-carbon adsorbent was acid treated bleached halloysite, and the carbon precursor was cellulose dissolved in zinc (II) chloride, which was dissolved in 37% hydrochloric acid. The FTIR spectra before and after the adsorption process allowed to determine the presence of functional groups, bonds in the halloysite-carbon composite, and the binding mechanism of the adsorbent and adsorbate. The morphology of the bleached halloysite sample and the sample of the halloysite-carbon adsorbent were characterized by scanning electron microscopy (SEM) with surface analysis by X-ray dispersion spectrometry (EDS). The specific surface area, total pore volume and mesopore and micropore volume were determined using the ASAP 2020 volumetric adsorption analyzer. Total carbon and total organic carbon were determined for the halloysite-carbon adsorbent. The halloysite-carbon adsorbent was used to remove chloroxylenol from water. The degree of removal of chloroxylenol from water using the halloysite-carbon adsorbent was about 90%. Adsorption studies show that the halloysite-carbon composite can be used as an effective adsorbent for removing chloroxylenol from water.Keywords: adsorption, cellulose, chloroxylenol, halloysite
Procedia PDF Downloads 189768 Reasons for Language Words in the Quran and Literary Approaches That Are Persian
Authors: Fateme Mazbanpoor, Sayed Mohammad Amiri
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In this article, we will examine the Persian words in Quran and study the reasons of their presence in this holy book. Writers of this paper extracted about 70 Persian words of Quran by referring to resources. (Alalfaz ol Moarab ol Farsieh Edishir, Almoarabol Javalighi, Almahzab va Etghan Seuti; Vocabulary involved in Quran Arthur Jeffry;, and etc…), some of these words are: ‘Abarigh, ‘Estabragh’,’Barzakh’, ‘Din’,’Zamharir, ‘Sondos’ ‘Sejil’,’ Namaregh’, ‘Fil’ etc. These Persian words have entered Arabic and finally entered Quran in two ways: 1) directly from Persian language, 2) via other languages. The first way: because of the Iranian dominance on Hira, Yemen, whole Oman and Bahrein land in Sasanian period, there were political, religious, linguistic, literary, and trade ties between these Arab territories causing the impact of Persian on Arabic; giving way to many Persian-loan words into Arabic in this period of time. The second way: Since the geographical and business conditions of the areas were dominated by Iran, Hejaz had lots of deals and trades with Mesopotamia and Yemen. On the other hand, Arabic language which was relatively a young language at that time, used to be impressed by Semitic languages in order to expand its vocabulary (Syrian and Aramaic were influenced by the languages of Iran). Consequently, due to the long relationship between Iranian and Arabs, some of the Persian words have taken longer ways through Aramaic and Syrian to find their way into Quran.Keywords: Quran, Persian word, Arabic language, Persian
Procedia PDF Downloads 461767 Preliminary dosimetric Evaluation of a New Therapeutic 177LU Complex for Human Based on Biodistribution Data in Rats
Authors: H. Yousefnia, S. Zolghadri, A. Golabi Dezfuli
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Tris (1,10-phenanthroline) lanthanum(III)] trithiocyanate is a new compound that has shown to stop DNA synthesis in CCRF-CEM and Ehrlich ascites cells leading to a cell cycle arrest in G0/G1. One other important property of the phenanthroline nucleus is its ability to act as a triplet-state photosensitizer especially in complexes with lanthanides. In Nowadays, the radiation dose assessment resource (RADAR) method is known as the most common method for absorbed dose calculation. 177Lu was produced by irradiation of a natural Lu2O3 target at a thermal neutron flux of approximately 4 × 1013 n/cm2•s. 177Lu-PL3 was prepared in the optimized condition. The radiochemical yield was checked by ITLC method. The biodistribution of the complex was investigated by intravenously injection to wild-type rats via their tail veins. In this study, the absorbed dose of 177Lu-PL3 to human organs was estimated by RADAR method. 177Lu was prepared with a specific activity of 2.6-3 GBq.mg-1 and radionuclide purity of 99.98 %. The 177Lu-PL3 complex can prepare with high radiochemical yield (> 99 %) at optimized conditions. The results show that liver and spleen have received the highest absorbed dose of 1.051 and 0.441 mSv/MBq, respectivley. The absorbed dose values for these two dose-limiting tissues suggest more biological studies special in tumor-bearing animals.Keywords: internal dosimetry, Lutetium-177, radar, animals
Procedia PDF Downloads 371766 Moving on or Deciding to Let Go: The Effects of Emotional and Decisional Forgiveness on Intentional Forgetting
Authors: Saima Noreen, Malcolm D. MacLeod
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Different types of forgiveness (emotional and decisional) have been shown to have differential effects on incidental forgetting of information related to a prior transgression. The present study explored the extent to which emotional and decisional forgiveness also influenced intentional forgetting; that is, the extent to which forgetting occurs following an explicit instruction to forget. Using the List-Method Directed Forgetting (LMDF) paradigm, 236 participants were presented with a hypothetical transgression and then assigned to an emotional forgiveness, a decisional forgiveness, or a no-forgiveness manipulation. Participants were then presented with two-word lists each comprising transgression-relevant and transgression-irrelevant words. Following the presentation of the first list, participants were told to either remember or forget the previously learned list of words. Participants in the emotional forgiveness condition were found to remember fewer relevant and more irrelevant transgression-related words, while the opposite was true for both decisional forgiveness and no-forgiveness conditions. Furthermore, when directed to forget words in List 1, participants in the decisional and no-forgiveness conditions were less able to forget relevant transgression-related words in comparison to participants in the emotional forgiveness condition. This study suggests that emotional forgiveness plays a pivotal role in the intentional forgetting of transgression-related information. The potential implications of these findings for coping with unpleasant incidents will be considered.Keywords: decisional forgiveness, directed forgetting, emotional forgiveness, executive control, forgiveness
Procedia PDF Downloads 233765 Cytotoxicity of Thymoquinone Alone or in Combination with Cisplatin (CDDP) Against Oral Squamous Cell Carcinoma in Vitro
Authors: Omar M. Al Aufi, Abdulwahab Noorwali, Ahmed Al Abd, Safia Alattas, Fathya Zahran, Fahd Almutairi
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Cisplatin (CDDP) is a potent anticancer agent used for several tumor types. Thymoquinone (TQ) is a naturally occurring compound drawing great attention as an anticancer and chemomodulator for chemotherapies. Herein, we studied the potential cytotoxicity of thymoquinone, CDDP and their combination against human oral squamous cell carcinoma cells in contrast to normal oral epithelial cells. CDDP similarly killed both head and neck squamous cell carcinoma cells (UMSCC-14C) and normal oral epithelial cells (OEC). TQ alone exerted considerable cytotoxicity against UMSCC-14C cells, while it induced a weaker killing effect against normal oral epithelial cells (OEC). The equitoxic combination of TQ and CDDP showed additive to synergistic interaction against both UMSCC-14C and OEC cells. TQ alone increased apoptotic cell fraction in UMSCC-14C cells as early as after 6 hours. In addition, prolonged exposure of UMSCC-14C to TQ alone resulted in 96.7±1.6% total apoptosis, which was increased after combination with CDDP to 99.3±1.2% in UMSCC-14C cells. On the other hand, TQ induced a marginal increase in the apoptosis in OEC and even decreased the apoptosis induced by CDDP alone. Finally, apoptosis induction results were confirmed by the change in the expression levels of p53, Bcl-2 and Caspase-9 proteins in both UMSCC-14c and OEC cells.Keywords: thymoquinone, cisplatin, apoptosis, oral squamous cell carcinoma, P53, Caspase-9, Bcl-2
Procedia PDF Downloads 64764 Heroin and Opiates Metabolites Tracing by Gas-Chromatography Isotope Ratio Mass Spectrometry
Authors: Yao-Te Yen, Chao-Hsin Cheng, Meng-Shun Huang, Shan-Zong Cyue
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'Poppy-seed defense' has been a serious problem all over the world, that is because the opiates metabolites in urine are difficult to distinguish where they come from precisely. In this research, a powerful analytic method has been developed to trace the opiates metabolites in urine by Gas-Chromatography Isotope Ratio Mass Spectrometry (GC-IRMS). In order to eliminate the interference of synthesis to heroin or metabolism through human body, opiates metabolites in urine and sized heroin were hydrolyzed to morphine. Morphine is the key compound for tracing between opiates metabolites and seized heroin in this research. By matching δ13C and δ15N values through morphine, it is successful to distinguish the opiates metabolites coming from heroin or medicine. We tested seven heroin abuser’s metabolites and seized heroin in crime sites, the result showed that opiates metabolites coming from seized heroin, the variation of δ13C and δ15N for morphine are within 0.2 and 2.5‰, respectively. The variation of δ13C and δ15N for morphine are reasonable with the result of matrix match experiments. Above all, the uncertainty of 'Poppy-seed defense' can be solved easily by this analytic method, it provides the direct evidence for judge to make accurate conviction without hesitation.Keywords: poppy-seed defense, heroin, opiates metabolites, isotope ratio mass spectrometry
Procedia PDF Downloads 237763 A Small-Molecular Inhibitor of Influenza Virus via Disrupting the PA and PB1 Interaction of the Viral Polymerase
Authors: Shuofeng Yuan, Bojian Zheng
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Assembly of the heterotrimeric polymerase complex of influenza virus from the individual subunits PB1, PA, and PB2 is a prerequisite for viral replication, in which the interaction between the N-terminal of PB1 (PB1N) and the C terminal of PA (PAC) may be a desired target for antiviral development. In this study, we first compared the feasibility of high throughput screening by enzyme-linked immunosorbent assay (ELISA) and fluorescence polarization (FP) assay. Among the two, ELISA was demonstrated to own broader dynamic range so that it was used for screening inhibitors, which blocked PA and PB1 interaction. Several binding inhibitors of PAC-PB1N were identified and subsequently tested for the antiviral efficacy. Apparently, 3-(2-chlorophenyl)-6-ethyl-7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5-ol, designated ANA-1, was found to be a strong inhibitor of PAC-PB1N interaction and act as a potent antiviral agent against the infections of multiple subtypes of influenza A virus, including H1N1, H3N2, H5N1, H7N7, H7N9 and H9N2 subtypes, in cell cultures. Intranasal administration of ANA-1 protected mice from lethal challenge and reduced lung viral loads in H1N1 virus infected BALB/c mice. Docking analyses predicted that ANA-1 bound to an allosteric site of PAC, which would cause conformational changes thereby disrupting the PAC-PB1N interaction. Overall, our study has identified a novel compound with potential to be developed as an anti-influenza drug.Keywords: influenza, antiviral, viral polymerase, compounds
Procedia PDF Downloads 346762 Theoretical Study of Structural and Electronic Properties of Matlockite CaFX (X = I and Br) Compounds
Authors: Meriem Harmel, Houari Khachai
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The full potential linearized augmented plane wave (FP-LAPW)method within density functional theory is applied to study, for the first time, the structural and electronic properties of CaFI and to compare them with CaFCl and CaFBr, all compounds belonging to the tetragonal PbFCl structure group with space group P4/nmm. We used the generalized gradient approximation (GGA) based on exchange–correlation energy optimization to calculate the total energy and also the Engel– Vosko GGA formalism, which optimizes the corresponding potential for band structure calculations. Ground state properties such as the lattice parameters, c/a ratio, bulk modulus, pressure derivative of the bulk modulus and cohesive energy are calculated, as well as the optimized internal parameters, by relaxing the atomic position in the force directions. The variations of the calculated interatomic distances and angles between different atomic bonds are discussed. CaFCl was found to have a direct band gap at whereas CaFBr and BaFI have indirect band gaps. From these computed bands, all three materials are found to be insulators having band gaps of 6.28, 5.46, and 4.50 eV, respectively. We also calculated the valence charge density and the total density of states at equilibrium volume for each compound. The results are in reasonable agreement with the available experimental data.Keywords: DFT, matlockite, structural properties, electronic structure
Procedia PDF Downloads 322761 Antibiotic and Fungicide Exposure Reveal the Evolution of Soil-Lettuce System Resistome
Authors: Chenyu Huang, Minrong Cui, Hua Fang, Luqing Zhang, Yunlong Yu
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The emergence and spread of antibiotic resistance genes (ARGs) have become a pressing issue in global agricultural production. However, understanding how these ARGs spread across different spatial scales, especially when exposed to both pesticides and antibiotics, has remained a challenge. Here, metagenomic assembly and binning methodologies were used to determine the mechanism of ARG propagation within soil-lettuce systems exposed to both fungicides and antibiotics. The results of our study showed that the presence of fungicide and antibiotic stresses had a significant impact on certain bacterial communities. Notably, we observed that ARGs were primarily transferred from the soil to the plant through plasmids. The selective pressure exerted by fungicides and antibiotics contributed to an increase in unique ARGs present on lettuce leaves. Moreover, ARGs located on chromosomes and plasmids followed different transmission patterns. The presence of diverse selective pressures, a result of compound treatments involving antibiotics and fungicides, amplifies this phenomenon. Consequently, there is a higher probability of bacteria developing multi-antibiotic resistance under the combined pressure of fungicides and antibiotics. In summary, our findings highlight that combined fungicide and antibiotic treatments are more likely to drive the acquisition of ARGs within the soil-plant system and may increase the risk of human ingestion.Keywords: soil-lettuce system, fungicide, antibiotic, ARG, transmission
Procedia PDF Downloads 104760 On the Interface of the Phonemes and the Orthography of KāNà
Authors: Akat Sordum Owen
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This paper focuses on the interface between the phonemes and the orthography of Kānà, an endangered language spoken in Khānà and Tàì Local Government Areas of Rivers State of Nigeria. Kānà is one of the four languages (others being Gòkānà, Bāān Ògóì and Ẹ́lẹ́mẹ́) of Ogonoid (i.e. Ogoni group of languages) located in the Cross River branch of Benue-Congo phylum. A good number of scholars, including Ikoro (1996) and Vobnu (2001) agree on the phonemes inventory of the language but differ on the choice of the letters of the orthography. Whereas many scholars on the language accept that the language is alphabetic and satisfactory with respect to the use of Latin (English) alphabetic orthography with emphasis on phoneme-grapheme relation, some other scholars tend to uphold that the complex consonants in the phonemic chart should be treated as a consonant cluster in the alphabet. This paper argues that consonant clusters occur at syntactic (and morphological) levels with regard to certain items in order to produce desired pronunciations and spellings. Each consonant in a cluster is identical and can be used with other letters to produce a different word. The data was obtained from scholarly writings on the language, by interviews and our intuition as a native speaker of the language. It is believed that this study will trigger further research into the orthography of Kānà and other tonal languages, such as Igbo and Yoruba having similar features in order to reanalyze the number of letters in the alphabets of those languages.Keywords: KANA, phonemes, orthography, letters
Procedia PDF Downloads 11759 Intellectual Telepathy between Arabs and Pashtuns; Study of Their Proverbs as a Model
Authors: Shams Ul Hussain Zaheer, Bibi Alia, Shehla Shams
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With the creation of human beings, almost all of them are blessed with the award of the power of expression, and this series starts from the life of Adam (A.S) in Paradise when he was blesses with language and knowledge and given priority upon the Angels. Later on, when the population spread and many other languages came into being, the method of the different people of different regions remained various. And when the Arabic was formed as a language after Ismail (A.S) and his sons spread in the gulf area, the words adopted from other gulf languages also became a part of this new language with it immense. Beside this, the tone of expression in other areas of the word was different, but the incidents, norms of bad and good, parameters for like and dislike, thinking styles, and rules of good and bad governance with social values remained round about the same. People practiced their lives according to the set norms everywhere in the world. Especially the two built, i.e., Hijaz and Khurasan, wherein Arabs and Pashtun accordingly were dwelling; it seems that their social values were much closed to each other. These norms reflect in various kinds of literature of both of the nations, but this article deals in with their proverbs specifically. This article discusses the intellectual telepathic between them in a research way. And put the defined similarities and dissimilarities between both in the proverb. And it also draws a sketch in front of readers that how the thinking and expression styles remains same in humans. As it belongs to a comparative analysis of the proverbs so, the same methodology has been adopted in the articles.Keywords: intellectual telepathy, hijaz, arab, khurasan, pashtun, proverbs, comparison
Procedia PDF Downloads 88758 Effect of Spelling on Communicative Competence: A Case Study of Registry Staff of the University of Ibadan, Nigeria
Authors: Lukman Omobola Adisa
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Spelling is rule bound in a written discourse. It, however, calls into question, when such convention is grossly contravened in a formal setting revered as citadel of learning, despite availability of computer spell-checker, human knowledge, and lexicon. The foregoing reveals the extent of decadence pervading education sector in Nigeria. It is on this premise that this study reviews the effect of spelling on communicative competence of the University of Ibadan Registry Staff. The theoretical framework basically evaluates diverse scholars’ views on communicative competence and how spelling influences the intended meaning of a word/ sentence as a result of undue infringement on grammatical (spelling) rule. Newsletter, bulletin, memo, and letter are four print materials purposively selected while the methodology adopted is content analysis. Similarly, five categories, though not limited to, through which spelling blunders are committed are considered: effect of spelling (omission, addition, and substitution); sound ( homophone); transposition (heading/body: content) and ambiguity (capitalisation, space, and acronym). Subsequently, the analyses, findings, and recommendations are equally looked into. Summarily, the study x-rays effective role(s) plays by spelling in enhancing communicative competence through appropriate usage of linguistic registers.Keywords: communicative competence, content analysis, effect of spelling, linguistics registers
Procedia PDF Downloads 217757 Synthesis, Characterization and Biological Activites of Azomethine Derivatives
Authors: Lynda Golea, Rachid Chebaki
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Schiff bases contain heterocyclic structural units with N and O donor atoms which plays an important role in coordination chemistry. Azomethine groups are a broad class of widely used compounds with applications in many fields, including analytical, inorganic chemistry and biological. Schiff's base is of promising research interest due to the widespread antibacterial resistance in medical science. In addition, the research is essential to generate Schiff base metal complexes with various applications. Schiff complexes have been used as drugs and have antibacterial, antifungal, antiviral, and anti-inflammatory properties. The various donor atoms they contain offer a special ability for metal binding. In this research on the physicochemical properties of azomethine groups, we synthesized and studied the Schiff base compounds by a condensation reaction of tryptamines and acetophenone in ethanol. The structure of the prepared compound was interpreted using 1H NMR, 13C NMR, UV-vis and FT-IR. A computational analysis at the level of DFT with functional B3LYP in conjunction with the base 6-311+G (d, p) was conducted to study its electronic and molecular structure. The biological study was performed on three bacterial strains usually causing infection, including Gram-positive and Gram-negative, for antibacterial activity. Results showed moderate biological activity and proportional activity with increasing concentration.Keywords: azomethine, HOMO, LUMO, RMN, molecular docking
Procedia PDF Downloads 62756 Effect of Nitriding and Shot Peening on Corrosion Behavior and Surface Properties of Austenite Stainless Steel 316L
Authors: Khiaira S. Hassan, Abbas S. Alwan, Muna K. Abbass
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This research aims to study the effect of the liquid nitriding and shot peening on the hardness, surface roughness, residual stress, microstructure and corrosion behavior of austenite stainless steel 316 L. Chemical surface heat treatment by liquid nitriding process was carried out at 500 °C for 1 h and followed by shot peening with using ball steel diameter of 1.25 mm in different exposure time of 10 and 20 min. Electrochemical corrosion test was applied in sea water (3.5% NaCl solution) by using potentostat instrument. The results showed that the nitride layer consists of a compound layer (white layer) and diffusion zone immediately below the alloy layer. It has been found that the mechanical treatment (shot peening) has led to the formation of compressive residual stresses in layer surface that increased the hardness of stainless steel surface. All surface treatment (nitriding and shot peening) processes have led to the formation of carbide of CrN in hard surface layer. It was shown that both processes caused an increase in surface hardness and roughness which increases with shot peening time. Also, the corrosion results showed that the liquid nitriding and shot peening processes increase the corrosion rate to values more than that of not treated stainless steel.Keywords: stainless steel 316L, shot peening, nitriding, corrosion, hardness
Procedia PDF Downloads 467755 De-Novo Structural Elucidation from Mass/NMR Spectra
Authors: Ismael Zamora, Elisabeth Ortega, Tatiana Radchenko, Guillem Plasencia
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The structure elucidation based on Mass Spectra (MS) data of unknown substances is an unresolved problem that affects many different fields of application. The recent overview of software available for structure elucidation of small molecules has shown the demand for efficient computational tool that will be able to perform structure elucidation of unknown small molecules and peptides. We developed an algorithm for De-Novo fragment analysis based on MS data that proposes a set of scored and ranked structures that are compatible with the MS and MSMS spectra. Several different algorithms were developed depending on the initial set of fragments and the structure building processes. Also, in all cases, several scores for the final molecule ranking were computed. They were validated with small and middle databases (DB) with the eleven test set compounds. Similar results were obtained from any of the databases that contained the fragments of the expected compound. We presented an algorithm. Or De-Novo fragment analysis based on only mass spectrometry (MS) data only that proposed a set of scored/ranked structures that was validated on different types of databases and showed good results as proof of concept. Moreover, the solutions proposed by Mass Spectrometry were submitted to the prediction of NMR spectra in order to elucidate which of the proposed structures was compatible with the NMR spectra collected.Keywords: De Novo, structure elucidation, mass spectrometry, NMR
Procedia PDF Downloads 294754 Modeling Optimal Lipophilicity and Drug Performance in Ligand-Receptor Interactions: A Machine Learning Approach to Drug Discovery
Authors: Jay Ananth
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The drug discovery process currently requires numerous years of clinical testing as well as money just for a single drug to earn FDA approval. For drugs that even make it this far in the process, there is a very slim chance of receiving FDA approval, resulting in detrimental hurdles to drug accessibility. To minimize these inefficiencies, numerous studies have implemented computational methods, although few computational investigations have focused on a crucial feature of drugs: lipophilicity. Lipophilicity is a physical attribute of a compound that measures its solubility in lipids and is a determinant of drug efficacy. This project leverages Artificial Intelligence to predict the impact of a drug’s lipophilicity on its performance by accounting for factors such as binding affinity and toxicity. The model predicted lipophilicity and binding affinity in the validation set with very high R² scores of 0.921 and 0.788, respectively, while also being applicable to a variety of target receptors. The results expressed a strong positive correlation between lipophilicity and both binding affinity and toxicity. The model helps in both drug development and discovery, providing every pharmaceutical company with recommended lipophilicity levels for drug candidates as well as a rapid assessment of early-stage drugs prior to any testing, eliminating significant amounts of time and resources currently restricting drug accessibility.Keywords: drug discovery, lipophilicity, ligand-receptor interactions, machine learning, drug development
Procedia PDF Downloads 108753 Models to Calculate Lattice Spacing, Melting Point and Lattice Thermal Expansion of Ga₂Se₃ Nanoparticles
Authors: Mustafa Saeed Omar
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The formula which contains the maximum increase of mean bond length, melting entropy and critical particle radius is used to calculate lattice volume in nanoscale size crystals of Ga₂Se₃. This compound belongs to the binary group of III₂VI₃. The critical radius is calculated from the values of the first surface atomic layer height which is equal to 0.336nm. The size-dependent mean bond length is calculated by using an equation-free from fitting parameters. The size-dependent lattice parameter then is accordingly used to calculate the size-dependent lattice volume. The lattice size in the nanoscale region increases to about 77.6 A³, which is up to four times of its bulk state value 19.97 A³. From the values of the nanosize scale dependence of lattice volume, the nanoscale size dependence of melting temperatures is calculated. The melting temperature decreases with the nanoparticles size reduction, it becomes zero when the radius reaches to its critical value. Bulk melting temperature for Ga₂Se₃, for example, has values of 1293 K. From the size-dependent melting temperature and mean bond length, the size-dependent lattice thermal expansion is calculated. Lattice thermal expansion decreases with the decrease of nanoparticles size and reaches to its minimum value as the radius drops down to about 5nm.Keywords: Ga₂Se₃, lattice volume, lattice thermal expansion, melting point, nanoparticles
Procedia PDF Downloads 166752 Short Answer Grading Using Multi-Context Features
Authors: S. Sharan Sundar, Nithish B. Moudhgalya, Nidhi Bhandari, Vineeth Vijayaraghavan
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Automatic Short Answer Grading is one of the prime applications of artificial intelligence in education. Several approaches involving the utilization of selective handcrafted features, graphical matching techniques, concept identification and mapping, complex deep frameworks, sentence embeddings, etc. have been explored over the years. However, keeping in mind the real-world application of the task, these solutions present a slight overhead in terms of computations and resources in achieving high performances. In this work, a simple and effective solution making use of elemental features based on statistical, linguistic properties, and word-based similarity measures in conjunction with tree-based classifiers and regressors is proposed. The results for classification tasks show improvements ranging from 1%-30%, while the regression task shows a stark improvement of 35%. The authors attribute these improvements to the addition of multiple similarity scores to provide ensemble of scoring criteria to the models. The authors also believe the work could reinstate that classical natural language processing techniques and simple machine learning models can be used to achieve high results for short answer grading.Keywords: artificial intelligence, intelligent systems, natural language processing, text mining
Procedia PDF Downloads 131751 Corrosion Inhibition of Brass in Phosphoric Acid Solution by 2-(5-Methyl-2-Nitro-1H-Imidazol-1-Yl) Ethyl Benzoate
Authors: R. Khrifou, M. Galai, R. Touir, M. Ebn Touhami, Y. Ramli
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A 2-(5-methyl-2-Nitro-1H-imidazol-1-yl)ethyl benzoate (IMDZ-B) was synthesized and characterized using elemental analyses, NMR, and Fourier transform infrared (FTIR) techniques. Its effect on brass corrosion in 1.0 M H₃PO₄ solution was investigated by using electrochemical measurements coupled with X-ray diffraction analysis (XRD), Scanning electron microscopy (SEM) and Energy-dispersive X-ray spectroscopy (EDX). The polarization measurements showed that the IMDZ-B acts as a mixed-type inhibitor. Indeed, it is found that the IMDZ-B compound is a very good inhibitor, and its inhibition efficiency increases with concentration to reach a maximum of 99.5 % at 10-³ M. In addition, the obtained electrochemical parameters from impedance indicated that the IMDZ-B molecules act by adsorption on metallic surfaces. This adsorption was found to obey Langmuir’s adsorption isotherm. However, the temperature effect on the performance of IMDZ-B was also studied. It is found that the IMDZ-B takes its performance at high temperatures. In addition, the obtained kinetic and thermodynamic parameters showed that the IMDZ-B molecules act via two adsorption modes, physisorption and chemisorptions, and its process is endothermic and spontaneous. Finally, the XRD and SEM/EDX analyses confirmed the electrochemical obtained results.Keywords: low concentration, anti-corrosion brass, IMDZ-B product, phosphoric acid solution, electrochemical, SEM\EDAX analysis
Procedia PDF Downloads 63750 Investigation of the Effects of Processing Parameters on Pla Based 3D Printed Tensile Samples
Authors: Saifullah Karimullah
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Additive manufacturing techniques are becoming more common with the latest technological advancements. It is composed to bring a revolution in the way products are designed, planned, manufactured, and distributed to end users. Fused deposition modeling (FDM) based 3D printing is one of those promising aspects that have revolutionized the prototyping processes. The purpose of this design and study project is to design a customized laboratory-scale FDM-based 3D printer from locally available sources. The primary goal is to design and fabricate the FDM-based 3D printer. After the fabrication, a tensile test specimen would be designed in Solid Works or [Creo computer-aided design (CAD)] software. A .stl file is generated of the tensile test specimen through slicing software and the G-codes are inserted via a computer for the test specimen to be printed. Different parameters were under studies like printing speed, layer thickness and infill density of the printed object. Some parameters were kept constant such as temperature, extrusion rate, raster orientation etc. Different tensile test specimens were printed for a different sets of parameters of the FDM-based 3d printer. The tensile test specimen were subjected to tensile tests using a universal testing machine (UTM). Design Expert software has been used for analyses, So Different results were obtained from the different tensile test specimens. The best, average and worst specimen were also observed under a compound microscope to investigate the layer bonding in between.Keywords: additive manufacturing techniques, 3D printing, CAD software, UTM machine
Procedia PDF Downloads 102749 Development of a French to Yorùbá Machine Translation System
Authors: Benjamen Nathaniel, Eludiora Safiriyu Ijiyemi, Egume Oneme Lucky
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A review on machine translation systems shows that a lot of computational artefacts has been carried out to translate written or spoken texts from a source language to Yorùbá language through Machine Translation systems. However, there are no work on French to Yorùbá language machine translation system; hence, the study investigated the process involved in the translation of French-to-Yorùbá language equivalent with the view to adopting a rule- based MT approach to build a Machine Translation framework from simple sentences administered through questionnaire. Articles and relevant textbooks were reviewed with key speakers of both languages interviewed to find out the processes involved in the translation of French language and their equivalent in Yorùbálanguage simple sentences using home domain terminologies. Achieving this, a model was formulated using phrase grammar structure, re-write rule, parse tree, automata theory- based techniques, designed and implemented respectively with unified modeling language (UML) and python programming language. Analysing the result, it was observed when carrying out the result that, the Machine Translation system performed 18.45% above Experimental Subject Respondent and 2.7% below Linguistics Expert when analysed with word orthography, sentence syntax and semantic correctness of the sentences. And, when compared with Google Machine Translation system, it was noticed that the developed system performed better on lexicons of the target language.Keywords: machine translation (MT), rule-based, French language, Yoru`ba´ language
Procedia PDF Downloads 76748 Engineering of Stable and Improved Electrochemical Activities of Redox Dominating Charge Storage Electrode Materials
Authors: Girish Sambhaji Gund
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The controlled nanostructure growth and its strong coupling with the current collector are key factors to achieve good electrochemical performance of faradaic-dominant electroactive materials. We employed binder-less and additive-free hydrothermal and physical vapor doping methods for the synthesis of nickel (Ni) and cobalt (Co) based compounds nanostructures (NiO, NiCo2O4, NiCo2S4) deposited on different conductive substrates such as carbon nanotube (CNT) on stainless steel, and reduced graphene oxide (rGO) and N-doped rGO on nickel foam (NF). The size and density of Ni- and Co-based compound nanostructures are controlled through the strong coupling with carbon allotropes on stainless steel and NF substrates. This controlled nanostructure of Ni- and Co-based compounds with carbon allotropes leads to stable faradaic electrochemical reactions at the material/current collector interface and within the electrode, which is consequence of strong coupling of nanostructure with functionalized carbon surface as a buffer layer. Thus, it is believed that the results provide the synergistic approaches to stabilize electrode materials physically and chemically, and hence overall electrochemical activity of faradaic dominating battery-type electrode materials through buffer layer engineering.Keywords: metal compounds, carbon allotropes, doping, electrochemicstry, hybrid supercapacitor
Procedia PDF Downloads 76747 Computational Studies of the Reactivity Descriptors and the Optoelectronic Properties on the Efficiency Free-Base- and Zn-Porphyrin-Sensitized Solar Cells
Authors: Soraya Abtouche, Zeyneb Ghoualem, Syrine Daoudi, Lina Ouldmohamed, Xavier Assfeld
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This work reports density functional theory calculations of the optimized geometries, molecular reactivity, energy gap,and thermodynamic properties of the free base (H2P) and their Zn (II) metallated (ZnP), bearing one, two, or three carboxylic acid groups using the hybrid functional B3LYP, Cam-B3lYP, wb97xd with 6-31G(d,p) basis sets. When donating groups are attached to the molecular dye, the bond lengths are slightly decreased, which is important for the easy transfer of an electron from donating to the accepting group. For all dyes, the highest occupied molecular orbital/lowest occupied molecular orbital analysis results in positive outcomes upon electron injection to the semiconductor and subsequent dye regeneration by the electrolyte. The ionization potential increases with increasing conjugation; therefore, the compound dye attached to one carboxylic acid group has the highest ionization potential. The results show higher efficiencies of those sensitized with ZnP. These results have been explained, taking into account the electronic character of the metal ion, which acts as a mediator in the injection step, and, on the other hand, considering the number of anchoring groups to which it binds to the surface of TiO2.Keywords: DSSC, porphyrin, TD-DFT, electronic properties, donor-acceptor groups
Procedia PDF Downloads 77746 Issues in Implementing ISO 9002 from the Islamic Perspective (ISI 2020)
Authors: Ahmad Masduki Bin Selamat, Kang Chia Yang
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The International Standard Organization (ISO) is an international consensus on good management practice. It is derived from the Greek word “isos” meaning equal. ISO is aimed to give organization guidelines on what bring quality management system that leads to continuous improvement. The need of quality product is essential these days, especially in the manufacturing and service sectors. The requirement to produce good product is demanded, hence the certification of ISO enables the company to gain the trust from the public. Due to this, organizations whether government or private sectors in Malaysia are going for the ISO certification. However recently there has been an introduction of Islamic standard known as Islamic Standard Institute 2020 (ISI 2020). The ISI standards emphasize more on values that should be in the employees’ mind. By possessing good values, employees will work only for the betterment of the company. Currently only the feelings of being paid for the job exist in the employees’ mind. The non-Malays like Chinese and others, which comprise 40% of the sample size, are not aware about the existence of any Islamic quality system. As for the Malay managers, they support the Islamic quality systems. For them such values are encouraged by religion. By imitating religion, Allah promises a better life in this world and hereafter. Even though ISI 2020 is still new but the majority of Malays would support the need of Islamic quality system. Our findings suggest that integration of these two-quality systems running parallel would bring a better result.Keywords: International Standard Organization (ISO), Islamic standard, quality, ISI 2020
Procedia PDF Downloads 414745 Adsorbent Removal of Oil Spills Using Bentonite Clay
Authors: Saad Mohamed Elsaid Abdelrahman
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The adsorption method is one of the best modern techniques used in removing pollutants, especially organic hydrocarbon compounds, from polluted water. Through this research, bentonite clay can be used to remove organic hydrocarbon compounds, such as heptane and octane, resulting from oil spills in seawater. Bentonite clay can be obtained from the Kholayaz area, located north of Jeddah, at a distance of 80 km. Chemical analysis shows that bentonite clay consists of a mixture of silica, alumina and oxides of some elements. Bentonite clay can be activated in order to raise its adsorption efficiency and to make it suitable for removing pollutants using an ionic organic solvent. It is necessary to study some of the factors that could be in the efficiency of bentonite clay in removing oily organic compounds, such as the time of contact of the clay with heptane and octane solutions, pH and temperature, in order to reach the highest adsorption capacity of bentonite clay. The temperature can be a few degrees Celsius higher. The adsorption capacity of the clay decreases when the temperature is raised more than 4°C to reach its lowest value at the temperature of 50°C. The results show that the friction time of 30 minutes and the pH of 6.8 is the best conditions to obtain the highest adsorption capacity of the clay, 467 mg in the case of heptane and 385 mg in the case of octane compound. Experiments conducted on bentonite clay were encouraging to select it to remove heavy molecular weight pollutants such as petroleum compounds under study.Keywords: adsorbent, bentonite clay, oil spills, removal
Procedia PDF Downloads 86744 Optimization of Bio-Diesel Production from Rubber Seed Oils
Authors: Pawit Tangviroon, Apichit Svang-Ariyaskul
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Rubber seed oil is an attractive alternative feedstock for biodiesel production because it is not related to food-chain plant. Rubber seed oil contains large amount of free fatty acids, which causes problem in biodiesel production. Free fatty acids can react with alkaline catalyst in biodiesel production. Acid esterification is used as pre-treatment to convert unwanted compound to desirable biodiesel. Phase separation of oil and methanol occurs at low ratio of methanol to oil and causes low reaction rate and conversion. Acid esterification requires large excess of methanol in order to increase the miscibility of methanol in oil and accordingly, it is a more expensive separation process. In this work, the kinetics of esterification of rubber seed oil with methanol is developed from available experimental results. Reactive distillation process was designed by using Aspen Plus program. The effects of operating parameters such as feed ratio, molar reflux ratio, feed temperature, and feed stage are investigated in order to find the optimum conditions. Results show that the reactive distillation process is proved to be better than conventional process. It consumes less feed methanol and less energy while yielding higher product purity than the conventional process. This work can be used as a guideline for further development to industrial scale of biodiesel production using reactive distillation.Keywords: biodiesel, reactive distillation, rubber seed oil, transesterification
Procedia PDF Downloads 350743 Preparation of Biomedical Hydrogels Using Phenolic Compounds and Electron Beam Irradiation
Authors: Farnaz Sadeghi, Moslem Tavakol
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In this study, an attempt has been made to prepare a physically cross-linked gel by cooling of tannic acid (TA)-polyvinyl alcohol (PVA) solution that subsequently convert to antibacterial chemically cross-linked hydrogel by using electron beam irradiation. PVA is known for its biocompatibility and hydrophilicity, and TA is known for being a natural compound which can serve as a cross-linking agent and a therapeutic agent. Swelling behavior, gel content, pore size, and mechanical properties of hydrogels which prepared at 14, 28, and 56 (kGy) with different ratios of polymers were investigated. PVA-TA hydrogel showed sustained release of tannic acid as approximately 20% and 50% of loaded TA released from the hydrogel after 4 and 72 h release time. We found that gel content decreased and the moisture retention capability increased by an increase in TA composition. In addition, PVA-TA hydrogels showed a good antibacterial activity against S.aureus. MTT analysis indicated that close to 83% of fibroblast cells remained viable after 48 h exposure to hydrogel extract. Moreover, the cooling of 10% PVA solution containing 0.5 and 0.75% w/v tannic acid to room and refrigerator, respectively, led to formation of physical gel that did not present any flow index after inversion of hydrogel cast. According to the results, the hydrogel prepared by electron beam irradiation of blended PVA-TA solution could be further investigated as a promising candidate for wound healing.Keywords: poly vinyl alcohol, tannic acid, electron beam irradiation, hydrogel wound dressing
Procedia PDF Downloads 153