Search results for: chemical bonding

Authors: Oustani Mabrouka, Halilat Med Tahar

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The physico-chemical properties of poultry droppings indicate that this waste can be an excellent way to enrich the soil with low fertility that is the case in arid soils (low organic matter content), but its concentrations in some microbial and chemical components make them potentially dangerous and toxic contaminants if they are used directly in fresh state. On other hand, the accumulation of plant residues in the crop areas can become a source of plant disease and affects the quality of the environment. The biotechnological processes that we have identified appear to alleviate these problems. It leads to the stabilization and processing of wastes into a product of good hygienic quality and high fertilizer value by the composting test. In this context, a trial was conducted in composting operations in the region of Ouargla located in southern Algeria. Composing test was conducted in a completely randomized design experiment. Three mixtures were prepared, in pits of 1 m3 volume for each mixture. Each pit is composed by mixture of poultry droppings and crushed plant residues in amount of 40 and 60% respectively: C1: Droppings + Straw (P.D +S) , C2: Poultry Droppings + Olive Wastes (P.D+O.W) , C3: Poultry Droppings + Date palm residues (P.D+D.P). Before and after the composting process, physico-chemical parameters (temperature, moisture, pH, electrical conductivity, total carbon and total nitrogen) were studied. The stability of the biological system was noticed after 90 days. The results of physico-chemical and microbiological compost obtained from three mixtures: C1: (P.D +S) , C2: (P.D+O.W) and C3: (P.D +D.P) shows at the end of composting process, three composts characterized by the final products were characterized by their high agronomic and environmental interest with a good physico chemical characteristics in particularly a low C/N ratio with 15.15, 10.01 and 15.36 % for (P.D + S), (P.D. + O.W) and (P.D. +D.P), respectively, reflecting a stabilization and maturity of the composts. On the other hand, a significant increase of temperature was recorded at the first days of composting for all treatments, which is correlated with a strong reduction of the pathogenic micro flora contained in poultry dropings.

Keywords: Arid environment, Composting, Date palm residues, Olive wastes, pH, Pathogenic microorganisms, Poultry Droppings, Straw

Procedia PDF Downloads 236

Authors: Payal Sudhan

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Popular films in India, Bollywood, and other local industries make a range of commercial films that attract vast viewership. Love, Heroism, Action, Adventure, Revenge, etc., are some of the dearest themes chosen by many filmmakers of various popular film Industries across the world. However, sexuality has become an issue to address within the cinema. Such films feature in small numbers compared to other themes. One can easily assume that homosexuality is unlikely to be a favorite theme found in Indian popular cinema. It doesn’t mean that there is absolutely no film made on the issues of homosexuality. There have been several attempts. Earlier, some movies depicted homosexual (gay) characters as comedians, which continued until the beginning of the 21st century. The study aims to explore how modern homophobia and stereotype are represented in the films and how it affects homosexuality in the recent Malayalam Cinema. The study wills primarily focusing on Mumbai Police (2013) and My Life Partner (2014). The study tries to explain social space, the idea of a cure, and criminality. The film that has been selected for the analysis Mumbai Police (2013) is a crime thriller. The nonlinear narration of the movie reveals, towards the end, the murderer of ACP Aryan IPS, who was shot dead in a public meeting. In the end, the culprit is the enquiring officer, ACP Antony Moses, himself a close friend and colleague of the victim. Much to one’s curiosity, the primary cause turns out to be the sexual relation Antony has. My Life Partner generically can be classified as a drama. The movie puts forth male bonding and visibly riddles the notions of love and sex between Kiran and his roommate Richard. Running through the same track, the film deals with a different ‘event.’ The ‘event’ is the exclusive celebration of male bonding. The socio-cultural background of the cinema is heterosexual. The elements of heterosexual social setup meet the ends of diplomacy of the Malayalam queer visual culture. The film reveals the life of two gays who were humiliated by the larger heterosexual society. In the end, Kiran dies because of extreme humiliation. The paper is a comparative and cultural analysis of the two movies, My Life Partner and Mumbai Police. I try to bring all the points of comparison together and explain the similarities and differences, how one movie differs from another. Thus, my attempt here explains how stereotypes and homophobia with other related issues are represented in these two movies.

Keywords: queer cinema, homophobia, malayalam cinema, queer films

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Authors: Masume Rezaie, Mohammad H. Farjam

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Chemical composition of Citrus aurantium was studied by solvent free microwave extraction (SFME) and hydrodistillation (HD) methods. Limonene (76.06% SFME and 67.04% HD), Linalool (4.91% SFME and 10.08% HD) and Linalyl Acetate (8.52% SFME and 5.10% HD) were the major compounds that obtained by SFME and hydrodistillation, respectively.

Keywords: microwave-assisted, GC-MS, essential oils, hydrodistillation, citrus aurantium

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Authors: Nicholas B. Beck, Thomas E. Albrecht-Schönzart

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High-pressure results in decreases in the bond lengths of metal-ligand bonds, which has proven to be incredibly informative in uncovering differences in bonding between lanthanide and actinide complexes. The degree of f-electron contribution to the metal ligand bonds has been observed to increase under pressure by a far greater degree in the actinides than the lanthanides, as revealed by spectroscopic studies. However, the actual changes in bond lengths have yet to be quantified, although computationally predicted. By using high-pressure crystallographic techniques, crystal structures of lanthanide complexes have been obtained at pressures up to 5 GPa for both hard and soft-donor ligands. These studies have revealed some unpredicted changes in the coordination environment as well as provided experimental support to computational results

Keywords: crystallography, high-pressure, lanthanide, materials

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Authors: Bazaraliyeva Aigerim Bakytzhanovna, Turgumbayeva Aknur Amanbekovna

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The phytosubstance from garlic was obtained by extraction with liquid carbon dioxide under critical conditions. Methods of processing raw materials are proposed, and the chemical composition of garlic is studied by gas chromatography and mass spectrometry. The garlic extract's composition was determined using gas chromatography (GC) and gas chromatography-mass spectrophotometry (GC-MS). The phytosubstance had 54 constituents. The extract included the following main compounds: Manool (39.56%), Viridifrolol (7%), Podocarpa-1,8,11,13-tetraen-3-one, 14-isopropyl-1,13-dimethoxy- 5,15 percent, (+)-2-Bornanone (4.29%), Thujone (3.49%), Linolic acid ethyl ester (3.41%), and 12-O-Methylcarn.

Keywords: allium sativum, bioactive compounds of garlic, carbon dioxide extraction of garlic, GS-MS method

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Authors: M. Fatmi, B. Gueridi, Z. Zerrougui

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Some physical properties of hexahalometallate K₂XBr₆(X=Se, Pt) were computed in the zinc blend structure using generalized gradient approximation. The cell constant of K₂SeBr₆ and K₂PtBr₆ is consistent with the experiment value quoted in the literature, where the error is 0.95 % and 1 %. K₂SeBr₆ and K₂PtBr₆ present covalent bonding, high anisotropy and are ductile. The elastic constants of K₂SeBr₆ and K₂PtBr₆ are significantly smaller due to their larger reticular distances and lower Colombian forces, and then they are soft and damage tolerant. The interatomic separation is greater in K₂SeBr₆ than in K₂PtBr₆; hence the Colombian interaction in K₂PtBr₆ is greater than that of K2SeBr₆. The internal coordinate of the Br atom in K₂PtBr₆ is lower than that of the same atom in K2SeBr₆, and this can be explained by the fact that it is inversely proportional to the atom radius of Se and Pt. There are two major plasmonic processes, with intensities of 3.7 and 1.35, located around 53.5 nm and 72.8 nm for K₂SeBr₆ and K₂PtBr₆.

Keywords: hexahalometallate, band structure, morphology, absorption, band gap, absorber

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Authors: Rui Huang, Thomas Richard, Masood Mostofi

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The lifetime of impregnated diamond bits and their drilling efficiency are in part governed by the bit wear conditions, not only the extent of the diamonds’ wear but also their exposure or protrusion out of the matrix bonding. As much as individual diamonds wear, the bonding matrix does also wear through two-body abrasion (direct matrix-rock contact) and three-body erosion (cuttings trapped in the space between rock and matrix). Although there is some work dedicated to the study of diamond bit wear, there is still a lack of understanding on how matrix erosion and diamond exposure relate to the bit drilling response and drilling efficiency, as well as no literature on the process that governs bit sharpening a procedure commonly implemented by drillers when the extent of diamond polishing yield extremely low rate of penetration. The aim of this research is (i) to derive a correlation between the wear state of the bit and the drilling performance but also (ii) to gain a better understanding of the process associated with tool sharpening. The research effort combines specific drilling experiments and precise mapping of the tool-cutting face (impregnated diamond bits and segments). Bit wear is produced by drilling through a rock sample at a fixed rate of penetration for a given period of time. Before and after each wear test, the bit drilling response and thus efficiency is mapped out using a tailored design experimental protocol. After each drilling test, the bit or segment cutting face is scanned with an optical microscope. The test results show that, under the fixed rate of penetration, diamond exposure increases with drilling distance but at a decreasing rate, up to a threshold exposure that corresponds to the optimum drilling condition for this feed rate. The data further shows that the threshold exposure scale with the rate of penetration up to a point where exposure reaches a maximum beyond which no more matrix can be eroded under normal drilling conditions. The second phase of this research focuses on the wear process referred as bit sharpening. Drillers rely on different approaches (increase feed rate or decrease flow rate) with the aim of tearing worn diamonds away from the bit matrix, wearing out some of the matrix, and thus exposing fresh sharp diamonds and recovering a higher rate of penetration. Although a common procedure, there is no rigorous methodology to sharpen the bit and avoid excessive wear or bit damage. This paper aims to gain some insight into the mechanisms that accompany bit sharpening by carefully tracking diamond fracturing, matrix wear, and erosion and how they relate to drilling parameters recorded while sharpening the tool. The results show that there exist optimal conditions (operating parameters and duration of the procedure) for sharpening that minimize overall bit wear and that the extent of bit sharpening can be monitored in real-time.

Keywords: bit sharpening, diamond exposure, drilling response, impregnated diamond bit, matrix erosion, wear rate

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Authors: Lola Brasseur, Guillaume Caulier, Marie Demeyer, Pascal Gerbaux, Igor Eeckhaut

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Seawater being an ideal dispersing agent, chemical communication stays predominant in marine ecosystems. However, if many molecules acting in chemical heterospecific communication have already been well described in terrestrial ecosystems, only three of these molecules were identified in marine ecosystems. Echinoderms and their symbiotic organisms constitute very good models to study heterospecific chemical communication because each class synthesizes a specific type of molecules and symbioses with echinoderms as hosts are very usual. In this study, the chemical communication that allows the commensal shrimps Tuleariocaris holthuisi Hipeau-Jacquotte, 1965 to live with their host Echinometra mathaei (Blainville, 1825) was investigated. The chemoreception of the shrimp was characterized using olfactometers and it was demonstrated that hosts and synthetic hydroxynaphthoquinones are attractive to the symbiotic shrimps. Hydroxynaphthoquinonic pigments also known as spinochromes are by the way synthesized by sea urchin and involved in all probability in a lot of mechanisms. To our knowledge, this study is the first highlighting the ecological function of naphthoquinones as kairomones. Chemical extractions were also performed on sea urchins in order to analyze and identify their specific hydroxynaphthoquinones using HPLC-ESI-MS. Accurate mass identification and elemental composition have been performed on various organs (gonads, coelomic liquid, digestive system and test) in different morphotypes of Echinometra mathaei for a better understanding of the molecular diversity of these semiochemicals. Moreover, some experiments were performed to investigate the dependence of T. holthuisi for their host. First, the analyses showed that the molecules involved in shrimp pigmentation are the same that the ones involved in E. mathaei, suggesting a potential feeding on the host. Secondly, a substantial shrimp depigmentation and an increase of the mortality rate were demonstrated after the symbionts-host separation which could mean a potential implication of spinochromes in the shrimp metabolism.

Keywords: crustacean, sea urchin, spinochrome, symbiosis

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Authors: Richa Dhingra, Monika, Manav Malhotra, Tilak Raj Bhardwaj, Neelima Dhingra

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5-Alpha-reductases (5AR), a membrane bound, NADPH dependent enzyme and convert male hormone testosterone (T) into more potent androgen dihydrotestosterone (DHT). DHT is the required for the development and function of male sex organs, but its overproduction has been found to be associated with physiological conditions like Benign Prostatic Hyperplasia (BPH). Thus the inhibition of 5ARs could be a key target for the treatment of BPH. In present study, 2D and 3D Quantitative Structure Activity Relationship (QSAR) pharmacophore models have been generated for 5AR based on known inhibitory concentration (IC₅₀) values with extensive validations. The four featured 2D pharmacophore based PLS model correlated the topological interactions (–OH group connected with one single bond) (SsOHE-index); semi-empirical (Quadrupole2) and physicochemical descriptors (Mol. wt, Bromines Count, Chlorines Count) with 5AR inhibitory activity, and has the highest correlation coefficient (r² = 0.98, q² =0.84; F = 57.87, pred r² = 0.88). Internal and external validation was carried out using test and proposed set of compounds. The contribution plot of electrostatic field effects and steric interactions generated by 3D-QSAR showed interesting results in terms of internal and external predictability. The well validated 2D Partial Least Squares (PLS) and 3D k-nearest neighbour (kNN) models were used to search novel 5AR inhibitors with different chemical scaffold. To gain more insights into the molecular mechanism of action of these steroidal derivatives, molecular docking and in silico absorption, distribution, metabolism, and excretion (ADME) studies were also performed. Studies have revealed the hydrophobic and hydrogen bonding of the ligand with residues Alanine (ALA) 63A, Threonine (THR) 60A, and Arginine (ARG) 456A of 4AT0 protein at the hinge region. The results of QSAR, molecular docking, in silico ADME studies provide guideline and mechanistic scope for the identification of more potent 5-Alpha-reductase inhibitors (5ARI).

Keywords: 5α-reductase inhibitor, benign prostatic hyperplasia, ligands, molecular docking, QSAR

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Authors: Ahmed A.D. Sarhan, Chong Feng Duan, Mum Wai Yip, M. Sayuti

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Rapid Prototyping (RP) technologies enable physical parts to be produced from various materials without depending on the conventional tooling. Fused Deposition Modeling (FDM) is one of the famous RP processes used at present. Tensile strength and compressive strength resistance will be identified for different sample structures and different layer orientations of ABS rapid prototype solid models. The samples will be fabricated by a FDM rapid prototyping machine in different layer orientations with variations in internal geometrical structure. The 0° orientation where layers were deposited along the length of the samples displayed superior strength and impact resistance over all the other orientations. The anisotropic properties were probably caused by weak interlayer bonding and interlayer porosity.

Keywords: building orientation, compression strength, rapid prototyping, tensile strength

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Authors: Y. Jeon, A. Bissessur, J. Lin, P. Ndungu

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Most transformers employ the usage of cellulose paper, which has been chemically modified through the Kraft process that acts as an effective insulator. Cellulose ageing and oil degradation are directly linked to fouling of the transformer and accumulation of large quantities of waste insulating paper. In addition to technical difficulties, this proves costly for power utilities to deal with. Currently there are no cost effective method for the rejuvenation of cellulose paper that has been documented nor proposed, since renewal of used insulating paper is implemented as the best option. This study proposes and contrasts different rejuvenation methods of accelerated aged cellulose insulating paper by chemical and bio-bleaching processes. Of the three bleaching methods investigated, two are, conventional chlorine-based sodium hypochlorite (m/v), and chlorine-free hydrogen peroxide (v/v), whilst the third is a bio-bleaching technique that uses a bacterium isolate, Acinetobacter strain V2. Through chemical bleaching, varying the strengths of the bleaching reagents at 0.3 %, 0.6 %, 0.9 %, 1.2 %, 1.5 % and 1.8 % over 4 hrs. were analyzed. Bio-bleaching implemented a bacterium isolate, Acinetobacter strain V2, to bleach the aged Kraft paper over 4 hrs. The determination of the amount of alpha cellulose, degree of polymerization and viscosity carried out on Kraft-cellulose insulating paper before and after bleaching. Overall the investigated techniques of chemical and bio-bleaching were successful and effective in treating degraded and accelerated aged Kraft-cellulose insulating paper, however, to varying extents. Optimum conditions for chemical bleaching were attained at bleaching strengths of 1.2 % (m/v) NaOCl and 1.5 % (v/v) H2O2 yielding alpha cellulose contents of 82.4 % and 80.7 % and degree of polymerizations of 613 and 616 respectively. Bio-bleaching using Acinetobacter strain V2 proved to be the superior technique with alpha cellulose levels of 89.0 % and a degree of polymerization of 620. Chemical bleaching techniques require careful and controlled clean-up treatments as it is chlorine and hydrogen peroxide based while bio-bleaching is an extremely eco-friendly technique.

Keywords: alpha cellulose, bio-bleaching, degree of polymerization, Kraft-cellulose insulating paper, transformer, viscosity

Procedia PDF Downloads 271

Authors: Ujjawal Kumar Bhagat, Kamaluddin, Rama Krishna Peddinti

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The Huisgen’s 1,3-dipolar [3+2] cycloaddition of organic azides and alkynes often give the mixtures of both the regioisomers 1,4- and 1,5- disubstituted 1,2,3-triazoles. Later, in presence of metal salts (click chemistry) such as copper(I)-catalyzed azide-alkyne cycloaddition (CuAAC) was used for the synthesis of 1,4-disubstituted 1,2,3-triazoles as a sole products regioselectively. Also, the ‘click reactions’ of Ruthenium-catalyzed azides-alkynes cycloaddition (RuAAC) is used for the synthesis of 1,5-disubstituted 1,2,3-triazoles as a single isomer. The synthesis of 1,4- and 1.5-disubstituted 1,2,3-triazoles has become the gold standard of ‘click chemistry’ due to its reliability, specificity, and biocompatibility. The 1,4- and 1,5-disubstituted 1,2,3-triazoles have emerged as one of the most powerful entities in the varieties of biological properties like antibacterial, antitubercular, antitumor, antifungal and antiprotozoal activities. Some of the 1,4,5-trisubstituted 1,2,3-triazoles exhibit Hsp90 inhibiting properties. The 1,4-disubstituted 1,2,3-triazoles also play a big role in the area of material sciences. The triazole-derived oligomeric, polymeric structures are the potential materials for the preparation of organic optoelectronics, silicon elastomers and unimolecular block copolymers. By the virtue of hydrogen bonding and dipole interactions, the 1,2,3-triazole moiety readily associates with the biological targets. Since, the 4-aryl-1H-1,2,3-triazoles are stable entities, they are chemically robust and very less reactive. In this regard, the addition of 4-aryl-1H-1,2,3-triazoles as nucleophiles to α,β-unsaturated carbonyls and nucleophilic substitution with the epoxides constitutes a powerful and challenging synthetic approach for the generation of disubstituted 1,2,3-triazoles. Herein, we have developed aza-Michael addition of 4-aryl-1H-1,2,3-triazoles to 2-cycloalken-1-ones in the presence of an organic base (DABCO) in acetonotrile solvent leading to the formation of disubstituted 1,2,3-triazoles. The reaction provides 1,4-disubstituted triazoles, 3-(4-aryl-1H-1,2,3-triazol-1-yl)cycloalkanones in major amount along with 1,5-disubstituted 1,2,3-triazoles, minor regioisomers with excellent combined chemical yields (upto99%). The nucleophilic behavior of 4-aryl-1H-1,2,3-triazoles was also tested in the ring opening of meso-epoxides in the presence of organic bases (DABCO/Et3N) in acetonotrile solvent furnishing the two regioisomers1,4- and 1,5-disubstituted 1,2,3-triazoles. Thus, the novelty of this methodology is synthesis of diversified disubstituted 1,2,3-triazoles under metal free condition.The results will be presented in detail.

Keywords: aza-Michael addition, cycloalkenones, epoxides, triazoles

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Authors: Wojciech Grochala

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AgF2 is an important two-dimensional antiferromagnet and an analogue of [CuO2]2– sheet. However, the strength of magnetic superexchange as well as magnetic dimensionality have not been explored before . Here we report our recent Raman and neutron scattering experiments which led to better understanding of the magnetic properties of the title compound. It turns out that intra-sheet magnetic superexchange constant reaches 70 meV, thus some 2/3 of the value measured for parent compounds of oxocuprate superconductors which is over 100 meV. The ratio of intra-to-inter-sheet superexchange constants is of the order of 102 rendering AgF2 a quasi-2D material, similar to the said oxocuprates. The quantum mechanical calculations reproduce the abovementioned values quite well and they point out to substantial covalence of the Ag–F bonding. After 3 decades of intense research on layered oxocuprates, AgF2 now stands as a second-to-none analogue of these fascinating systems. It remains to be seen whether this 012 parent compound may be doped in order to achieve superconductivity.

Keywords: antiferromagnets, superexchange, silver, fluorine

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Authors: Asmaa M. Fahim

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In this investigation, the (E)-2-cyano-3-(dimethylamino)-N-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acrylam-ide (4) which used TAM as a template which interacts with Methacrylic Acid (MAA) monomer, in the presence of CH₃CN as progen. The TAM-MMA complex interactions are dependent on stable hydrogen bonding interaction between the carboxylic acid group of TAM(Template) and the hydroxyl group of MMA(methyl methacrylate) with minimal interference of porogen CH₃CN. The physical computational studies were used to optimize their structures and frequency calculations. The binding energies between TAM with different monomers showed the most stable molar ratio of 1:4, which was confirmed through experimental analysis. The optimized polymers were investigated in industrial applications.

Keywords: molecular imprinted polymer, computational studies, SEM, spectral analysis, industrial applications

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Authors: Anitha Kandasamy, Thirumurugan Ramaiah

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Interestingly, organic materials exhibit large optical nonlinearity with quick responses and having the flexibility of molecular tailoring using computational modelling and favourable synthetic methodologies. Pyridine based organic compounds and carboxylic acid contained aromatic compounds play a crucial role in crystal engineering of NCS complexes that displays admirable optical nonlinearity with fast response and favourable physicochemical properties such as low dielectric constant, wide optical transparency and large laser damage threshold value requires for optoelectronics device applications. Based on these facts, it was projected to form an acentric molecule of π-conjugated system interaction with appropriately replaced electron donor and acceptor groups for achieving higher SHG activity in which quinoline-2-carboyxlic acid is chosen as an electron acceptor and capable of acting as an acid as well as a base molecule, while 2-amino-4-methylpyridine is used as an electron donor and previously employed in numerous proton transfer complexes for synthesis of NLO materials for optoelectronic applications. 2-amino-4-mehtylpyridinium quinoline-2-carboxylate molecular complex (2AQ) is having π-donor-acceptor groups in which 2-amino-4-methylpyridine donates one of its electron to quinoline -2-carboxylic acid thereby forming a protonated 2-amino-4-methyl pyridinium moiety and mono ionized quinoline-2-carboxylate moiety which are connected via N-H…O intermolecular interactions with non-centrosymmetric crystal packing arrangement at microscopic scale is accountable to the enhancement of macroscopic second order NLO activity. The 2AQ crystal was successfully grown by a slow evaporation solution growth technique and its structure was determined in orthorhombic crystal system with acentric, P212121, space group. Hirshfeld surface analysis reveals that O…H intermolecular interactions primarily contributed with 31.0 % to the structural stabilization of 2AQ. The molecular structure of title compound has been confirmed by 1H and 13C NMR spectral studies. The vibrational modes of functional groups present in 2AQ have been assigned by using FTIR and FT-Raman spectroscopy. The grown 2AQ crystal exhibits high optical transparency with lower cut-off wavelength (275 nm) within the region of 275-1500 nm. The laser study confirmed that 2AQ exhibits high SHG efficiency of 12.6 times greater than that of KDP. TGA-DTA analysis revealed that 2AQ crystal had a thermal stability of 223 °C. The low dielectric constant and low dielectric loss at higher frequencies confirmed good crystalline nature with fewer defects of grown 2AQ crystal. The grown crystal exhibits soft material and positive photoconduction behaviour. Mulliken atomic distribution and FMOs analysis suggested that the strong intermolecular hydrogen bonding which lead to the enhancement of NLO activity. These properties suggest that 2AQ crystal is a suitable material for optoelectronic and laser frequency conversion applications.

Keywords: crystal growth, NLO activity, proton transfer complex, quantum chemical investigation

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Authors: H. Oudira, A. Saifi

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The therapeutic utility of certain Auger emitters such as iodine-125 depends on their position within the cell nucleus . Or diagnostically, and to maintain as low as possible cell damage, it is preferable to have radionuclide localized outside the cell or at least the core. One solution to this problem is to consider markers capable of conveying anticancer drugs to the tumor site regardless of their location within the human body. The objective of this study is to simulate the impact of a complex such as bleomycin on single and double strand breaks in the DNA molecule. Indeed, this simulation consists of the following transactions: - Construction of BLM -Fe- DNA complex. - Simulation of the electron’s transport from the metastable state excitation of Fe 57 by the Monte Carlo method. - Treatment of chemical reactions in the considered environment by the diffusion equation. For physical, physico-chemical and finally chemical steps, the geometry of the complex is considered as a sphere of 50 nm centered on the binding site , and the mathematical method used is called step by step based on Monte Carlo codes.

Keywords: concentration, yield, radical species, bleomycin, excitation, DNA

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Authors: N. Dahbi, D. E. Arafah

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Cd1−xZnxS thins films have been fabricated from ZnS/CdS/ZnS multilayer thin film systems, by using the vacuum deposition method; the Rutherford back-scattering (RBS) technique have been applied in order to determine the: structure, composition, depth profile, and stoichiometric of these films. The influence of the chemical and heat treatments on the produced films also have been investigated; the RBS spectra of the films showed that homogenous Cd1−xZnxS can be synthesized with x=0.45.

Keywords: Cd1−xZnxS, chemical treatment, depth profile, heat treatment, RBS, RUMP simulation, thin film, vacuum deposition, ZnS/CdS/ZnS

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Authors: H. B. Rekha, Usha N. Murthy, Prashanth, Ashoka

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Dyes are manufactured to have high chemical resistance because they are normally species, very difficult to degrade (reactive dyes). It damages flora and fauna. Furthermore, coloured components are highly hazardous. So removal of dyes becomes a challenge for both textile industry and water treatment facility. Dyeing wastewater is usually treated by conventional methods such as biological oxidation and adsorption but nowadays them becoming in-adequate because of large variability of composition of waste water. In the present investigation, mild steel electrodes of varying surface area were used for treatment of synthetic textile dye. It appears that electro-chemical coagulation could be very effective in removing coloured from wastewater; it could also be used to remove other parameters like chlorides, COD, and solids to some extent. In the present study, coloured removal up to 99% was obtained for surface area of mild steel electrode of 80 cm2 and 96% of surface area of mild steel electrode of 50 cm2. The findings from this study could be used to improve the design of electro-chemical treatment systems and modify existing systems to improve efficiency.

Keywords: electrochemical coagulation, mild steel, colour, environmental engineering

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Authors: Abdallah Habbab, Khaled Sekkoum, Nasser Belboukhari

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Objective: This study is designed to examine the chemical composition, antioxidant and antibacterial activities of the essential oil extracted from leaves of Vitex agnus-castus. Methods: The essential oils of dry leaves of Vitex agnus-castus L. were obtained by hydro-distillation, afforded oil in the yield of 5.5% and their volatile constituents were identified by GC/MS. Antioxidant activity of the sample was determined by test system DPPH. Antifungal activity was tested against three fungal strains (Aspergillus flavus, Penicillium escpansum and Aspergillus ochraceus) by direct contact method. Results: Forty-three compounds were identified, representing 98.02% of the oil. Major components of the oil were 1,8-cineole (18.27 %), caryophyllene (8.60 %), N-(M-fluorophenyl)-maleimide (6.30 %), (+)-epi-bicyclosesquiphellandrene (6.00 %), terpinen-4-ol (5.57 %), pyrrolo (3,2,1-jk) carbazole (5.43 %), caryophyllene oxide (4.79 %), and phenol (4.09 %). Conclusion: The chemical constituents in the essential oil from the locally grown Vitex agnus-castus were identified. Therefore, the essential oil of Vitex agnus-castus is an active candidate which would be used as antioxidant, or antifungal agent in new drugs preparation for therapy of diseases.

Keywords: Vitex agnus-castus, essential oil, GC/MS, DPPH, 1, 8-cineole

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Authors: Violina R. Angelova, Sava G. Tabakov, Aleksander B. Peltekov, Krasimir I. Ivanov

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A field study was conducted to evaluate the chemical composition and quality of the Aronia fruits, as well as the possibilities of Aronia cultivation on soils contaminated with heavy metals. The experiment was performed on an agricultural field contaminated by the Non-Ferrous-Metal Works (NFMW) near Plovdiv, Bulgaria. The study included four varieties of Aronia; Aron variety, Hugin variety, Viking variety and Nero variety. The Aronia was cultivated according to the conventional technology on areas at a different distance from the source of pollution NFMW- Plovdiv (1 km, 3.5 km, and 15 km). The concentrations of macroelements, microelements, and heavy metals in Aronia fruits were determined. The dry matter content, ash, sugars, proteins, and fats were also determined. Aronia is a crop that is tolerant to heavy metals and can successfully be grown on soils contaminated with heavy metals. The increased content of heavy metals in the soil leads to less absorption of the nutrients (Ca, Mg and P) in the fruit of the Aronia. Soil pollution with heavy metals does not affect the quality of the Aronia fruit varieties.

Keywords: aronia, chemical composition, fruits, quality

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Authors: Nacira Mecheri, N. Boussid

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A new chemical mechanism designed to study the process of forming the first aromatic ring (benzene) and polycyclic aromatic hydrocarbons (PAH) from a flame of acetylene (C2H2) has been developed. The mechanism developed, contains 50 chemical species involved in 268 reversible elementary reactions. The comparison between the results from modelling and experimental measurements allowed us to test the validity of the postulated mechanism in specific experimental conditions. Kinetic analysis of the flame by calculating the maximum rates for each elementary reaction, allowed us to identify key reactions pathways of consumption and formation of main precursors of soot.

Keywords: benzene, PAH, acetylene, modeling, flame, soot

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Authors: Jaskirat Singh, Roshan Lal Virdi, Khushdeep Goyal

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The purpose of this paper is to perform a microstructural analysis of Friction Stir Welded joints of aluminum alloys 6063 and 5083, also to check the properties of the weld zone by SEM analysis. FSW experiments were carried on CNC Vertical milling machine. The tools used for welding were the round cylindrical pin shape and square pin shape. It is found that Microstructure shows the uniformly distributed material with minimum heat affected zone and dense welded zone without any defect. Microstructures indicate that the weld material is defect free. The SEM shows the diffusion of material with base metal with proper bonding without any defect.

Keywords: friction stir welding, aluminum alloy, microstructure, SEM analysis

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Authors: Mecabih Zohra

Abstract:

Water is such an important element of many manufacturing processes which that use a big amount of chemical substances, It is likely to cause it contamination of water returning to rivers by industrial discharged. These contaminants can be a high in suspended solid and chemical oxygen demand. In this study, urban wastewater of sidi bel abbes city (Algeria) was treated by adsorption using modified bentonite from Magnia (Algeria) by conducting batch experiments to investigate its equilibrium characteristics and kinetics. Purified bentonite is characterized by; CEC, XRF, BET, FITR, XRD, SEM and 27Al spectroscopy. The results showed the removal of suspended solids exceeds 98.47% and COD up to 99.52%, and regarding of sorption efficiencies (qm), the maximum COD sorption efficiencies (qm) calculated using the Langmuir model is 156.23, 64.47 and 17.19 mg/g respectively, for a pH range of 4 to 9.

Keywords: adsorption, bentonite, COD, wastewater

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Authors: Mecabih Zohra

Abstract:

Water is such an important element of many manufacturing processes which that use a big amount of chemical substances, It is likely to cause it contamination of water returning to rivers by industrial discharged. These contaminants can be a high in suspended solid and chemical oxygen demand. In this study, urban wastewater of sidi bel abbes city (Algeria) was treated by adsorption using modified bentonite from Magnia (Algeria) by conducting batch experiments to investigate its equilibrium characteristics and kinetics. Purified bentonite is characterized by; CEC, XRF, BET, FITR, XRD, SEM and 27Al spectroscopy. The results showed the removal of suspended solids exceeds 98.47% and COD up to 99.52%, and regarding of sorption efficiencies (qm), the maximum COD sorption efficiencies (qm) calculated using the Langmuir model is 156.23, 64.47 and 17.19 mg/g respectively, for a pH range of 4 to 9.

Keywords: adsorption, bentonite, COD, wastewater

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Authors: Xiaodong Xu, Dan Zhao, Xiujuan Chang, Chunming Li, Huiyun Zhou, Xin Li, Qiang Shi, Shifang Luan, Jinghua Yin

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Polypropylene (PP) is one of the most commonly used plastics because of its low density, outstanding mechanical properties, and low cost. However, its drawbacks such as low surface energy, poor dyeability, lack of chemical functionalities, and poor compatibility with polar polymers and inorganic materials, have restricted the application of PP. To expand its application in biomedical materials, functionalization is considered to be the most effective way. In this study, PP was functionalized with a chiral monomer, (S)-1-acryloylpyrrolidine-2-carboxylic acid ((S)-APCA), by free-radical grafting in the solid phase. The grafting degree of PP-g-APCA was determined by chemical titration method, and the chemical structure of functionalized PP was characterized by FTIR spectroscopy, which confirmed that the chiral monomer (S)-APCA was successfully grafted onto PP. Static water contact angle results suggested that the surface hydrophilicity of PP was significantly improved by solid phase grafting and assistance of surface water treatment. Protein adsorption and platelet adhesion results showed that hemocompatibility of PP was greatly improved by grafting the chiral monomer.

Keywords: functionalization, polypropylene, chiral monomer, hemocompatibility

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Authors: Ali Kuzu

Abstract:

There are about 800 thousand chemicals in our environment and the number is increasing more than a thousand every year. While most of these chemicals are used as components in various consumer products, some are faced as industrial waste in the environment. Unfortunately, many of these chemicals are hazardous and affect humans. According to the “International Program on Chemical Safety” of World Health Organization; Among the chronic health effects of chemicals, cancer is of major concern. Many substances have found in recent years to be carcinogenic in one or more species of laboratory animals. Especially with respect to long-term effects, the response to a chemical may vary, quantitatively or qualitatively, in different groups of individuals depending on predisposing conditions, such as nutritional status, disease status, current infection, climatic extremes, and genetic features, sex and age of the individuals. Understanding the response of such specific risk groups is an important area of toxicology research. People with age 65+ is defined as “aged (or elderly)”. The elderly population in the world is about 600 million, which corresponds to ~8 percent of the world population. While every 1 of each 4 people is aged in Japan, the elderly population is quite close to 20 percent in many developed countries. And elderly population in these countries is growing more rapidly than the total population. The negative effects of chemicals on elderly take an important place in health-care related issues in last decades. The aged population is more susceptible to the harmful effects of environmental chemicals. According to the poor health of the organ systems in elderly, the ability of their body to eliminate the harmful effects and chemical substances from their body is also poor. With the increasing life expectancy, more and more people will face problems associated with chemical residues.

Keywords: elderly, chemicals’ effects, aged care, care need

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Authors: Jin-Woo Park, Sung-Soo Lee, Nong-Moon Hwang

Abstract:

The generation of charged nanoparticles in the gas phase during the Chemical Vapor Deposition (CVD) process has been frequently reported with their subsequent deposition into films and nanostructures in many systems such as carbon, silicon and zinc oxide. The microstructure evolution of films and nanostructures is closely related with the size distribution of charged nanoparticles. To confirm the generation of charged nanoparticles during GaN, the generation of GaN charged nanoparticles was examined in an atmospheric pressure CVD process using a Differential Mobility Analyser (DMA) combined with a Faraday Cup Electrometer (FCE). It was confirmed that GaN charged nanoparticles were generated under the condition where GaN nanostructures were synthesized on the bare and Au-coated Si substrates. In addition, the deposition behaviour depends strongly on the charge transfer rate of metal substrates. On the metal substrates of a lower CTR such as Mo, the deposition rate of GaN was much lower than on those of a higher CTR such as Fe. GaN nanowires tend to grow on the substrates of a lower CTR whereas GaN thin films tend to be deposited on the substrates of a higher CTR.

Keywords: chemical vapour deposition, charged cluster model, generation of charged nanoparticles, deposition behaviour, nanostructures, gan, charged transfer rate

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Authors: Houssam A. Toutanji, Meng Han

Abstract:

This study focuses on the development of a fracture mechanics based-model that predicts the debonding behavior of FRP strengthened RC beams. In this study, a database includes 351 concrete prisms bonded with FRP plates tested in single and double shear were prepared. The existing fracture-mechanics-based models are applied to this database. Unfortunately the properties of adhesive layer, especially a soft adhesive layer, used on the specimens in the existing studies were not always able to found. Thus, the new model’s proposal was based on fifteen newly conducted pullout tests and twenty four data selected from two independent existing studies with the application of a soft adhesive layers and the availability of adhesive properties.

Keywords: carbon fiber composite materials, interface response, fracture characteristics, maximum shear stress, ultimate transferable load

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Authors: José Luiz da Silva Neto, Renato Sipelli Silva, Érick Aragão Ribeiro

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The automation of industrial processes plays a vital role in industries today, becoming an integral and important part of the industrial process and modern production. The process control systems are designed to maximize production, reduce costs and minimize risks in production. However, these systems are generally not deployed methodologies and planning. So that this article describes the development of an automation system of a kitchen preparation of chemicals in the textile industry based on a retrofitting methodology that provides more quality into the process at a lower cost.

Keywords: automation, textile industry, kitchen chemical, information integration

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Authors: Tigist Girma Kidane, Yalew Dessalegn Asfaw

Abstract:

Abstract: The current investigation aims to measure the longitudinal and transversal three-point bending tests of bamboo fibres polypropylene composites (BFPPCs) for the application of the automobile industry. Research has not been done on the properties of Ethiopian bamboo fibres for the utilization of composite development. The samples of bamboo plants have been harvested in 3–groups of age, 2–harvesting seasons, and 3–regions of bamboo species. Roll milling machine used for the extraction of bamboo fibres which has been developed by the authors. Chemical constituents measured using gravimetric methods. Unidirectional bamboo fibres prepreg has been produced using PP and hot press machine, then BFPPCs were produced using 6 layers of prepregs at automatic hot press machine. Age, harvesting month, and bamboo species have a statistically significant effect on the longitudinal and transverse flexural strength (FS), modulus of elasticity (MOE), and failure strain at α = 0.05 as evaluated by one-way ANOVA. 2–yrs old of BFPPCs have the highest FS and MOE, whereas November has the highest value of flexural properties. The highest to the lowest FS and MOE of BFPPCs has measured in Injibara, Mekaneselam, and Kombolcha, respectively. The transverse 3-point bending test has a lower FS and MOE compared to the longitudinal direction. The chemical constituents of Injibara, Mekaneselam, and Kombolcha have the highest to the lowest, respectively. 2-years old of bamboo fibres has the highest chemical constituent. The chemical constituents improved the flexural properties. Bamboo fibres in Ethiopia can be relevant for composite development, which has been applied in the area of requiring higher flexural properties.

Keywords: age, bamboo species, flexural properties, harvesting season, polypropylene

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