Search results for: adhesion molecules
667 Physico-Chemical Basis of Thermal Destruction of Benzo(a)Pyrene and Reducing Their Concentration in the Gas Phase
Authors: K. A. Kemelov, Z. K. Maymekov, D. A. Sambaeva, W. Frenzel
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Benzo(a)pyrene is widespread carcinogenic and mutagenic environmental pollutant, which is formed in combustion processes of carbonaceous materials at high temperature and still health safety problem related benz(a)pyrene continues to remain actual. At the moment the mechanisms of formation of benzo(a)pyrene are not studied in detail, there is not concrete certain full scheme of synthesis of benzo(a)pyrene. Studies in this area are mainly dedicated to development of measuring tools and chemical reactions analyzes, or to obtain specific evidence of a large group of polycyclic aromatic hydrocarbons (PAHs). Consequently in this study we try to create physical and chemical model of oxidation and thermo destruction processes of benzo(a)pyrene, using critical thermodynamical parameters in order to estimate theoretical derivatives of benzo(a)pyrene and which conditions benzo(a)pyrene degraded into more harmful substances. According to this physical and chemical modeling of thermal destruction process of benzo(a)pyrene in wide ranges of change of temperature value were calculated. C20H12 - H2O-O2 system was taken for modeling of thermal destruction process of benzo(a)pyrene in order to establish distribution range of equilibrium structures and concentrations of molecules in a gas phase. Also technological ways of reduction of concentration of benzo(a)pyrene in a gas phase were supposed.Keywords: benzo(a)pyrene, emission, PAH, thermodynamic parameters
Procedia PDF Downloads 292666 Pharmacophore-Based Modeling of a Series of Human Glutaminyl Cyclase Inhibitors to Identify Lead Molecules by Virtual Screening, Molecular Docking and Molecular Dynamics Simulation Study
Authors: Ankur Chaudhuri, Sibani Sen Chakraborty
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In human, glutaminyl cyclase activity is highly abundant in neuronal and secretory tissues and is preferentially restricted to hypothalamus and pituitary. The N-terminal modification of β-amyloids (Aβs) peptides by the generation of a pyro-glutamyl (pGlu) modified Aβs (pE-Aβs) is an important process in the initiation of the formation of neurotoxic plaques in Alzheimer’s disease (AD). This process is catalyzed by glutaminyl cyclase (QC). The expression of QC is characteristically up-regulated in the early stage of AD, and the hallmark of the inhibition of QC is the prevention of the formation of pE-Aβs and plaques. A computer-aided drug design (CADD) process was employed to give an idea for the designing of potentially active compounds to understand the inhibitory potency against human glutaminyl cyclase (QC). This work elaborates the ligand-based and structure-based pharmacophore exploration of glutaminyl cyclase (QC) by using the known inhibitors. Three dimensional (3D) quantitative structure-activity relationship (QSAR) methods were applied to 154 compounds with known IC50 values. All the inhibitors were divided into two sets, training-set, and test-sets. Generally, training-set was used to build the quantitative pharmacophore model based on the principle of structural diversity, whereas the test-set was employed to evaluate the predictive ability of the pharmacophore hypotheses. A chemical feature-based pharmacophore model was generated from the known 92 training-set compounds by HypoGen module implemented in Discovery Studio 2017 R2 software package. The best hypothesis was selected (Hypo1) based upon the highest correlation coefficient (0.8906), lowest total cost (463.72), and the lowest root mean square deviation (2.24Å) values. The highest correlation coefficient value indicates greater predictive activity of the hypothesis, whereas the lower root mean square deviation signifies a small deviation of experimental activity from the predicted one. The best pharmacophore model (Hypo1) of the candidate inhibitors predicted comprised four features: two hydrogen bond acceptor, one hydrogen bond donor, and one hydrophobic feature. The Hypo1 was validated by several parameters such as test set activity prediction, cost analysis, Fischer's randomization test, leave-one-out method, and heat map of ligand profiler. The predicted features were then used for virtual screening of potential compounds from NCI, ASINEX, Maybridge and Chembridge databases. More than seven million compounds were used for this purpose. The hit compounds were filtered by drug-likeness and pharmacokinetics properties. The selective hits were docked to the high-resolution three-dimensional structure of the target protein glutaminyl cyclase (PDB ID: 2AFU/2AFW) to filter these hits further. To validate the molecular docking results, the most active compound from the dataset was selected as a reference molecule. From the density functional theory (DFT) study, ten molecules were selected based on their highest HOMO (highest occupied molecular orbitals) energy and the lowest bandgap values. Molecular dynamics simulations with explicit solvation systems of the final ten hit compounds revealed that a large number of non-covalent interactions were formed with the binding site of the human glutaminyl cyclase. It was suggested that the hit compounds reported in this study could help in future designing of potent inhibitors as leads against human glutaminyl cyclase.Keywords: glutaminyl cyclase, hit lead, pharmacophore model, simulation
Procedia PDF Downloads 128665 The Effect of the Addition of Additives on the Properties of Bisamide Organogels
Authors: Elmira Ghanbari, Jan Van Esch, Stephen J. Picken, Sahil Aggarwal
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Organogels are formed by the assembly of low molecular weight gelators (LMWG) into fibrous structures. The assembly of these molecules into crystalline fibrous structures occurs as a result of reversible interactions such as π-stacking, hydrogen-bonding, and van der Waals interactions. Bisamide organogelators with two amide groups have been used as one of LMWGs which show efficient assembly behavior via hydrogen bonding for network formation, the formation of a crystalline network for solvent entrapment. In this study, different bisamide gelators with different lengths of alkyl chains have been added to the bisamide parent gels. The effect of the addition of bisamide additives on the gelation of bisamide gels is described. Investigation of the thermal properties of the gels by differential scanning calorimetry and dropping ball techniques indicated that the bisamide gels can be formed by the addition of a high concentration of the second bisamide components. The microstructure of the gels with different gelator components has been visualized with scanning electron microscopy (SEM) which has shown systematic woven, platelet-like, and a combination of those morphologies for different gels. Examining the addition of a range of bisamide additives with different structural characteristics than the parent bisamide gels has confirmed the effect of the molecular structure on the morphology of the bisamide gels and their final properties.Keywords: bisamide organogelator additives, gel morphology, gel properties, self-assembly
Procedia PDF Downloads 193664 Enhancement of Interface Properties of Thermoplastic Composite Materials
Authors: Reyhan Ozbask, Emek Moroydor Derin, Mustafa Dogu
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There are a limited number of global companies in the world that manufacture and commercially offer thermoplastic composite prepregs in accordance with aerospace requirements. High-performance thermoplastic materials supplied for aerospace structural applications are PEEK (polyetheretherketone), PPS (polyphenylsulfite), PEI (polyetherimide), and PEKK (polyetherketoneketone). Among these, PEEK is the raw material used in the first applications and has started to become widespread. However, the use of these thermoplastic raw materials in composite production is very difficult due to their high processing temperatures and impregnation difficulties. This study, it is aimed to develop carbon fiber-reinforced thermoplastic PEEK composites that comply with the requirements of the aviation industry that are superior mechanical properties as well as being lightweight. Therefore, it is aimed to obtain high-performance thermoplastic composite materials with improved interface properties by using the sizing method (suspension development through chemical synthesis and functionalization), to optimize the production process. The use of boron nitride nanotube as a bonding agent by modifying its surface constitutes the original aspect of the study as it has not been used in composite production with high-performance thermoplastic materials yet. For this purpose, laboratory-scale studies on the application of thermoplastic compatible sizing will be carried out in order to increase the fiber-matrix interfacial adhesion. The method respectively consists of the selection of appropriate sizing type, laboratory-scale carbon fiber (CF) / poly ether ether ketone (PEEK) polymer interface enhancement studies, manufacturing of laboratory-scale BNNT coated CF/PEEK woven prepreg composites and their tests.Keywords: carbon fiber reinforced composite, interface enhancement, boron nitride nanotube, thermoplastic composite
Procedia PDF Downloads 220663 Synthesis and Characterization of Functionalized Carbon Nanorods/Polystyrene Nanocomposites
Authors: M. A. Karakassides, M. Baikousi, A. Kouloumpis, D. Gournis
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Nanocomposites of Carbon Nanorods (CNRs) with Polystyrene (PS), have been synthesized successfully by means of in situ polymerization process and characterized. Firstly, carbon nanorods with graphitic structure were prepared by the standard synthetic procedure of CMK-3 using MCM-41 as template, instead of SBA-15, and sucrose as carbon source. In order to create an organophilic surface on CNRs, two parts of modification were realized: surface chemical oxidation (CNRs-ox) according to the Staudenmaier’s method and the attachment of octadecylamine molecules on the functional groups of CNRs-ox (CNRs-ODA The nanocomposite materials of polystyrene with CNRs-ODA, were prepared by a solution-precipitation method at three nanoadditive to polymer loadings (1, 3 and 5 wt. %). The as derived nanocomposites were studied with a combination of characterization and analytical techniques. Especially, Fourier-transform infrared (FT-IR) and Raman spectroscopies were used for the chemical and structural characterization of the pristine materials and the derived nanocomposites while the morphology of nanocomposites and the dispersion of the carbon nanorods were analyzed by atomic force and scanning electron microscopy techniques. Tensile testing and thermogravimetric analysis (TGA) along with differential scanning calorimetry (DSC) were also used to examine the mechanical properties and thermal stability -glass transition temperature of PS after the incorporation of CNRs-ODA nanorods. The results showed that the thermal and mechanical properties of the PS/ CNRs-ODA nanocomposites gradually improved with increasing of CNRs-ODA loading.Keywords: nanocomposites, polystyrene, carbon, nanorods
Procedia PDF Downloads 344662 Nature of a Supercritical Mesophase
Authors: Hamza Javar Magnier, Leslie V. Woodcock
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It has been reported that at temperatures above the critical there is no “continuity of liquid and gas”, as originally hypothesized by van der Waals. Rather, both gas and liquid phases, with characteristic properties as such, extend to supercritical temperatures. Each phase is bounded by the locus of a percolation transition, i.e. a higher-order thermodynamic phase change associated with percolation of gas clusters in a large void, or liquid interstitial vacancies in a large cluster. Between these two-phase bounds, it is reported there exists a mesophase that resembles an otherwise homogeneous dispersion of gas micro-bubbles in liquid (foam) and a dispersion of liquid micro-droplets in gas (mist). Such a colloidal-like state of a pure one-component fluid represents a hitherto unchartered equilibrium state of matter besides pure solid, liquid or gas. Here we provide compelling evidence, from molecular dynamics (MD) simulations, for the existence of this supercritical mesophase and its colloidal nature. We report preliminary results of computer simulations for a model fluid using a simplistic representation of atoms or molecules, i.e. a hard-core repulsion with an attraction so short that the atoms are referred to as “adhesive spheres”. Molecular clusters, and hence percolation transitions, are unambiguously defined. Graphics of color-coded clusters show colloidal characteristics of the supercritical mesophase.Keywords: critical phenomena, mesophase, supercritical, square-well, critical parameters
Procedia PDF Downloads 420661 Encapsulation of Flexible OLED with an Auxiliary Sealing Line
Authors: Hanjun Yun, Gun Bae, Nabin Paul, Cheolhee Moon
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Flexible OLED is an important technology for the next generation display over various kinds of applications. However, the organic materials of OLEDs degrade rapidly under the invasion of oxygen and water moisture. The degradation causes the formation of non-emitting areas which gradually suppress the device brightness, ultimately the lifetime of the device decreasing rapidly. Until now, the most suitable sealing process of the flexible OLED devices is a thin film encapsulation (TFE). However, TFE consists of a multilayer thin-film structure with organic-inorganic materials, so the cost is expensive and the process time is long. Another problem is that the blocking characteristics from the moisture and oxygen are not perfect. Therefore, the encapsulation of the flexible OLED device is a still key technical issue for the successful market entry. In this study, we are to introduce an auxiliary sealing line between the two flexible substrates. The electrode lines were formed on the substrates which have a SiNx barrier coating layer. To induce the solid phase diffusion process between the SiNx layer and the electrode lines, the electrode materials were determined as Al-Si composition. Thermal energy was supplied for both the SiNx layer and Al-Si electrode lines within the furnace to induce the interfacial bonding through the solid phase diffusion of Si. We printed a test pattern for the edge of the flexible PET substrate of 3cm*3cm size. Experimental conditions such as heating temperature, heating time were optimized to get enough adhesion strength which was estimated through the competitive bending test. Finally, OLED devices with flexible PET substrate of 3cm*3cm size were manufactured to investigate the blocking characteristics as an encapsulation layer.Keywords: barrier, encapsulation, OLED, solid phase diffusion
Procedia PDF Downloads 233660 Role of Micro-Patterning on Stem Cell-Material Interaction Modulation and Cell Fate
Authors: Lay Poh Tan, Chor Yong Tay, Haiyang Yu
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Micro-contact printing is a form of soft lithography that uses the relief patterns on a master polydimethylsiloxane (PDMS) stamp to form patterns of self-assembled monolayers (SAMs) of ink on the surface of a substrate through conformal contact technique. Here, we adopt this method to print proteins of different dimensions on our biodegradable polymer substrates. We started off with printing 20-500 μm scale lanes of fibronectin to engineer the shape of bone marrow derived human mesenchymal stem cell (hMSCs). After 8 hours of culture, the hMSCs adopted elongated shapes, and upon analysis of the gene expressions, genes commonly associated with myogenesis (GATA-4, MyoD1, cTnT and β-MHC) and neurogenesis (NeuroD, Nestin, GFAP, and MAP2) were up-regulated but gene expression associated to osteogenesis (ALPL, RUNX2, and SPARC) were either down modulated or remained at the nominal level. This is the first evidence that cellular morphology control via micropatterning could be used to modulate stem cell fate without external biochemical stimuli. We further our studies to modulate the focal adhesion (FA) instead of the macro shape of cells. Micro-contact printed islands of different smaller dimensions were investigated. We successfully regulated the FAs into dense FAs and elongated FAs by micropatterning. Additionally, the combined effects of hard (40.4 kPa), and intermediate (10.6 kPa) PA gel and FAs patterning on hMSCs differentiation were studied. Results showed that FA and matrix compliance plays an important role in hMSCs differentiation, and there is a cross-talk between different physical stimulants and the significance of these stimuli can only be realized if they are combined at the optimum level.Keywords: micro-contact printing, polymer substrate, cell-material interaction, stem cell differentiation
Procedia PDF Downloads 168659 Silica Nanofibres – Promising Material for Regenerative Medicine
Authors: Miroslava Rysová, Zdena Syrová, Tomáš Zajíc, Petr Exnar
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Currently, attention of tissue engineers has been attracted to novel nanofibrous materials having advanced properties and ability to mimic extracellular matrix (ECM) by structure which makes them interesting candidates for application in regenerative medicine as scaffolding and/or drug delivering material. Throughout the last decade, more than 200 synthetic and natural polymers have been successfully electrospun leading to the formation of nanofibres with a wide range of chemical, mechanical and degradation properties. In this family, inorganic nanofibres represent very specific group offering an opportunity to manufacture inert to body, well degradable and in properties tunable material. Aim of this work, was to reveal unique properties of silica (SiO2, CAS 7631-86-9) nanofibres and their potential in field of regenerative medicine. Silica nanofibres were prepared by sol-gel method from tetraethyl orthosilicate (TEOS, CAS 78-10-4) as a precursor and subsequently manufactured by needleless electrospinning on NanospiderTM device. Silica nanofibres thermally stabilized under 200°C were confirmed to be fully biodegradable and soluble in several simulated body fluids. In vitro cytotoxicity tests of eluate (ES ISO 10993-5:1999) and in direct contact (ES ISO 10993-5:2009) showed no toxicity - e.g. cell viabilities reached values exceeding 80%. Those results were obtained equally from two different cell lines (Vero, 3T3). Non-toxicity of silaca nanofibres´ eluate was additionally confirmed in real time by testing on xCelligence (ACEA Biosciences, Inc.) device. Both cell types also showed good adhesion to material. To conclude, all mentioned results lead to resumption that silica nanofibres have a potential as material for regenerative medicine which opens door to further research.Keywords: cytotoxicity, electrospinning, nanofibres, silica, tissue engineering
Procedia PDF Downloads 422658 Antimicrobial Activity of Ilex paraguariensis Sub-Fractions after Liquid-Liquid Partitioning
Authors: Sabah El-Sawalhi, Elie Fayad, Roula M. Abdel-Massih
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Ilex paraguariensis (Yerba Mate) is a medium to large tree commonly consumed by South Americans. Its leaves and stems are associated with different biological activities. The purpose of this study was to evaluate the antibacterial activity of Yerba Mate against Gram-positive and Gram-negative bacterial strains and its action against some resistant bacteria with different resistance profiles. Yerba Mate aqueous extracts were prepared at 70°C for 2 hrs, and the microdilution method was used to determine the minimum inhibitory concentration (MIC). Gram-positive bacteria exhibited a stronger antibacterial activity (MIC ranged between 0.468 mg/mL and 15 mg/mL) than Gram-negative bacteria. Yerba Mate was also extracted with acetone: water (1:1) and then further sub-fractionated with hexane, chloroform, and ethyl acetate. MIC values against Staphylococcus aureus ranged from 0.78 to 2.5 mg/ml for the chloroform fraction, from 1.56 to 3.75 mg/ml for the ethyl acetate fraction, and 0.78 to 1.87 mg/ml for the water fraction. The water fraction also exhibited antibacterial activity against Salmonella species (MIC ranged from 1.56 mg/ml to 3.12 mg/ml). The water fraction exhibited the highest antibacterial activity among all the fractions obtained. More studies are needed to determine the molecule or molecules responsible for this activity.Keywords: antibacterial activity, bacterial resistance, minimum inhibitory concentration, yerba mate
Procedia PDF Downloads 134657 Rapid and Easy Fabrication of Collagen-Based Biocomposite Scaffolds for 3D Cell Culture
Authors: Esra Turker, Umit Hakan Yildiz, Ahu Arslan Yildiz
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The key of regenerative medicine is mimicking natural three dimensional (3D) microenvironment of tissues by utilizing appropriate biomaterials. In this study, a synthetic biodegradable polymer; poly (L-lactide-co-ε-caprolactone) (PLLCL) and a natural polymer; collagen was used to mimic the biochemical structure of the natural extracellular matrix (ECM), and by means of electrospinning technique the real physical structure of ECM has mimicked. PLLCL/Collagen biocomposite scaffolds enables cell attachment, proliferation and nutrient transport through fabrication of micro to nanometer scale nanofibers. Biocomposite materials are commonly preferred due to limitations of physical and biocompatible properties of natural and synthetic materials. Combination of both materials improves the strength, degradation and biocompatibility of scaffold. Literature studies have shown that collagen is mostly solved with heavy chemicals, which is not suitable for cell culturing. To overcome this problem, a new approach has been developed in this study where polyvinylpyrrolidone (PVP) is used as co-electrospinning agent. PVP is preferred due to its water solubility, so PLLCL/collagen biocomposite scaffold can be easily and rapidly produced. Hydrolytic and enzymatic biodegradation as well as mechanical strength of scaffolds were examined in vitro. Cell adhesion, proliferation and cell morphology characterization studies have been performed as well. Further, on-chip drug screening analysis has been performed over 3D tumor models. Overall, the developed biocomposite scaffold was used for 3D tumor model formation and obtained results confirmed that developed model could be used for drug screening studies to predict clinical efficacy of a drug.Keywords: biomaterials, 3D cell culture, drug screening, electrospinning, lab-on-a-chip, tissue engineering
Procedia PDF Downloads 306656 An Insight into the Conformational Dynamics of Glycan through Molecular Dynamics Simulation
Authors: K. Veluraja
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Glycan of glycolipids and glycoproteins is playing a significant role in living systems particularly in molecular recognition processes. Molecular recognition processes are attributed to their occurrence on the surface of the cell, sequential arrangement and type of sugar molecules present in the oligosaccharide structure and glyosidic linkage diversity (glycoinformatics) and conformational diversity (glycoconformatics). Molecular Dynamics Simulation study is a theoretical-cum-computational tool successfully utilized to establish glycoconformatics of glycan. The study on various oligosaccharides of glycan clearly indicates that oligosaccharides do exist in multiple conformational states and these conformational states arise due to the flexibility associated with a glycosidic torsional angle (φ,ψ) . As an example: a single disaccharide structure NeuNacα(2-3) Gal exists in three different conformational states due to the differences in the preferential value of glycosidic torsional angles (φ,ψ). Hence establishing three dimensional structural and conformational models for glycan (cartesian coordinates of every individual atoms of an oligosaccharide structure in a preferred conformation) is quite crucial to understand various molecular recognition processes such as glycan-toxin interaction and glycan-virus interaction. The gycoconformatics models obtained for various glycan through Molecular Dynamics Simulation stored in our 3DSDSCAR (3DSDSCAR.ORG) a public domain database and its utility value in understanding the molecular recognition processes and in drug design venture will be discussed.Keywords: glycan, glycoconformatics, molecular dynamics simulation, oligosaccharide
Procedia PDF Downloads 130655 Software Tool Design for Heavy Oil Upgrading by Hydrogen Donor Addition in a Hydrodynamic Cavitation Process
Authors: Munoz A. Tatiana, Solano R. Brandon, Montes C. Juan, Cierco G. Javier
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The hydrodynamic cavitation is a process in which the energy that the fluids have in the phase changes is used. From this energy, local temperatures greater than 5000 °C are obtained where thermal cracking of the fluid molecules takes place. The process applied to heavy oil affects variables such as viscosity, density, and composition, which constitutes an important improvement in the quality of crude oil. In this study, the need to design a software through mathematical integration models of mixing, cavitation, kinetics, and reactor, allows modeling changes in density, viscosity, and composition of a heavy oil crude, when the fluid passes through a hydrodynamic cavitation reactor. In order to evaluate the viability of this technique in the industry, a heavy oil of 18° API gravity, was simulated using naphtha as a hydrogen donor at concentrations of 1, 2 and 5% vol, where the simulation results showed an API gravity increase to 0.77, 1.21 and 1.93° respectively and a reduction viscosity by 9.9, 12.9 and 15.8%. The obtained results allow to have a favorable panorama on this technological development, an appropriate visualization on the generation of innovative knowledge of this technique and the technical-economic opportunity that benefits the development of the hydrocarbon sector related to heavy crude oil that includes the largest world oil production.Keywords: hydrodynamic cavitation, thermal cracking, hydrogen donor, heavy oil upgrading, simulator
Procedia PDF Downloads 147654 Comparative Toxicity of Garlic Juice and Dicofol to Population of Citrus Mites
Authors: Y. Atibi, A. Boutaleb Joutei, T. Slimani
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Insecticidal properties of Alliaceae are widely known, they are plant with varied biological properties. Garlic and onion are known for their positive effect on health, including the prevention of cardiovascular disease and some digestive cancers. These health benefits molecules are also responsible for pest potential control of Alliaceae. With these properties, we can consider using Alliaceae as acaricides. The purpose of this study was to compare the effect of chemical and biopesticides on citrus mites, especially Tetranychus urticae, Panonychus citri and Eutetranychus orientalis. Chemical treatment (Dicofol) and biopesticides (Garlic juice + Alcohol) applied on this study to control the various stages of mites, have reduced the proliferation of mobile forms and reducing the number of eggs to acceptable levels. Garlic juice + alcohol revealed efficiency from 50 to 57.69 % against the mobile forms of T. urticae, however, it was effective against the mobile forms of P. citri and E. orientalis with an efficiency of 85.71 % and 100 % respectively, its action has also reduced the number of eggs of T. urticae and E. orientalis at low levels. Therefore, this biopesticide is conceivable viewpoint technical and economic as the infestation by mite is low.Keywords: Garlic juice, acaricide, biopesticide, mites, alcohol, Tetranychus urticae, Panonychus citri, Eutetranychus orientalis.
Procedia PDF Downloads 516653 Preparation and Optimization of Curcumin-HPβCD Complex Bioadhesive Vaginal Films for Vaginal Candidiasis by Factorial Design
Authors: Umme Hani, H. G. Shivakumar, M. D. Younus Pasha
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The purpose of this work was to design and optimize a novel vaginal drug delivery system for more effective treatment against vaginal candidiasis. To achieve a better therapeutic efficacy and patient compliance in the treatment for vaginal candidiasis, herbal antifungal agent Curcumin which is 2.5 fold more potent than fluconazole at inhibiting the adhesion of candida albicans has been formulated in a bio-adhesive vaginal film. Curcumin was formulated in bio-adhesive film formulations that could be retained in the vagina for prolonged intervals. The polymeric films were prepared by solvent evaporation and optimized for various physicodynamic and aesthetic properties. Curcumin HPβCD (Hydroxypropyl β Cyclodextrin) was first developed to increase the solubility of curcumin. The formation of the Curcumin HPβCD complex was characterized by scanning electron microscopy (SEM), differential scanning calorimetry (DSC), and FT-IR and evaluated for its solubility. Curcumin HPβCD complex was formulated in a bio-adhesive film using hydroxypropyl methyl cellulose (HPMC) and Carbopol 934P and characterized. DSC and FT-IR data of Curcumin HPβCD indicate there was complex formation between the drug and HPβCD. The little moisture content (8.02±0.34% w/w) was present in the film, which helps them to remain stable and kept them from being completely dry and brittle. The mechanical properties, tensile strength, and percentage elongation at break reveal that the formulations were found to be soft and tough. The films showed good peelability, relatively good swelling index, and moderate tensile strength and retained vaginal mucosa up to 8 h. The developed Curcumin vaginal film could be a promising safe herbal medication and can ensure longer residence at the vagina and provide an efficient therapy for vaginal candidiasis.Keywords: curcumin, curcumin-HPβCD complex, bio-adhesive vaginal film, vaginal candidiasis, 23 factorial design
Procedia PDF Downloads 376652 Laboratory Evaluation of Asphalt Concrete Prepared with Over Burnt Brick Aggregate Treated by Zycosoil
Authors: D. Sarkar, M. Pal, A. K. Sarkar
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Asphaltic concrete for pavement construction in India are produced by using crushed stone, gravels etc. as aggregate. In north-Eastern region of India, there is a scarcity o f stone aggregate. Therefore the road engineers are always in search of an optional material as aggregate which can replace the regularly used material. The purpose of this work was to evaluate the utilization of substandard or marginal aggregates in flexible pavement construction. The investigation was undertaken to evaluate the effects of using lower quality aggregates such as over burnt brick aggregate on the preparation of asphalt concrete for flexible pavements. The scope of this work included a review of available literature and existing data, a laboratory evaluation organized to determine the effects of marginal aggregates and potential techniques to upgrade these substandard materials, and a laboratory evaluation of these upgraded marginal aggregate asphalt mixtures. Over burnt brick aggregates are water susceptible and can leads to moisture damage. Moisture damage is the progressive loss of functionality of the material owing to loss of the adhesion bond between the asphalt binder and the aggregate surface. Hence, zycosoil as an anti striping additive were evaluated in this study. This study summarizes the results of the laboratory evaluation carried out to investigate the properties of asphalt concrete prepared with zycosoil modified over burnt brick aggregate. Marshall specimen were prepared with stone aggregate, zycosoil modified stone aggregate, over burnt brick aggregate and zycosoil modified over burnt brick aggregate. Results show that addition of zycosoil with stone aggregate increased stability by 6% and addition of zycosoil with over burnt brick aggregate increased stability by 30%.Keywords: asphalt concrete, over burnt brick aggregate, marshall stability, zycosoil
Procedia PDF Downloads 352651 Free Radical Dosimetry for Ultrasound in Terephthalic Acid Solutions Containing Gold Nanoparticles
Authors: Ahmad Shanei, Mohammad Mahdi Shanei
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When a liquid is irradiated with high intensities (> 1 W) and low frequencies (≤ 1 MHz) ultrasound, acoustic cavitation occurs. Acoustic cavitation generates free radicals from the breakdown of water and other molecules. The existence of particles in liquid provide nucleation sites for cavitation bubbles and lead to decrease the ultrasonic intensity threshold needed for cavitation onset. The study was designed to measure hydroxyl radicals in terephthalic acid solutions containing 30 nm gold nanoparticles in a near field of a 1 MHz sonotherapy probe. The effect of ultrasound irradiation parameters containing mode of sonication and ultrasound intensity in hydroxyl radicals production have been investigated by the spectrofluorometry method. Recorded fluorescence signal in terephthalic acid solution containing gold nanoparticles was higher than the terephthalic acid solution without gold nanoparticles. Also, the results showed that any increase in intensity of the sonication would be associated with an increase in the fluorescence intensity. Acoustic cavitation in the presence of gold nanoparticles has been introduced as a way for improving therapeutic effects on the tumors. Also, the terephthalic acid dosimetry is suitable for detecting and quantifying free hydroxyl radicals as a criterion of cavitation production over a range of condition in medical ultrasound fields.Keywords: acoustic cavitation, gold nanoparticle, chemical dosimetry, terephthalic acid
Procedia PDF Downloads 468650 Integrated Design of Froth Flotation Process in Sludge Oil Recovery Using Cavitation Nanobubbles for Increase the Efficiency and High Viscose Compatibility
Authors: Yolla Miranda, Marini Altyra, Karina Kalmapuspita Imas
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Oily sludge wastes always fill in upstream and downstream petroleum industry process. Sludge still contains oil that can use for energy storage. Recycling sludge is a method to handling it for reduce the toxicity and very probable to get the remaining oil around 20% from its volume. Froth flotation, a common method based on chemical unit for separate fine solid particles from an aqueous suspension. The basic composition of froth flotation is the capture of oil droplets or small solids by air bubbles in an aqueous slurry, followed by their levitation and collection in a froth layer. This method has been known as no intensive energy requirement and easy to apply. But the low efficiency and unable treat the high viscosity become the biggest problem in froth flotation unit. This study give the design to manage the high viscosity of sludge first and then entering the froth flotation including cavitation tube on it to change the bubbles into nano particles. The recovery in flotation starts with the collision and adhesion of hydrophobic particles to the air bubbles followed by transportation of the hydrophobic particle-bubble aggregate from the collection zone to the froth zone, drainage and enrichment of the froth, and finally by its overflow removal from the cell top. The effective particle separation by froth flotation relies on the efficient capture of hydrophobic particles by air bubbles in three steps. The important step is collision. Decreasing the bubble particles will increasing the collision effect. It cause the process more efficient. The pre-treatment, froth flotation, and cavitation tube integrated each other. The design shows the integrated unit and its process.Keywords: sludge oil recovery, froth flotation, cavitation tube, nanobubbles, high viscosity
Procedia PDF Downloads 366649 VII Phytochemistry UNIT-IV Glycoside
Authors: Magy Magdy Danial Riad
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Introduction: Glycosides: Enzymatic and hydrolysis reactions of glycosides, mechanism of action, SAR, therapeutic uses and toxicity of glycosides. Cardiac glycosides of digitalis, bufa and squill. Structure of salicin, hesperidin and rutin. Glycosides are certain molecules in which a sugar part is bound to some other part. Glycosides play numerous important roles in living organisms. Formally, a glycoside is any molecule in which a sugar group is bonded through its anomeric carbon to another group and form glycosidic bonds via an O-glycosidic bond or an S-glycosidic bond; glycosides involving the latter are also called thioglycosides. The purpose: the addition of sugar be bonded to a non-sugar for the molecule to qualify as a glycoside, The sugar group is then known as the glycone and the non-sugar group as the aglycone or genin part of the glycoside. The glycone can consist of a single sugar group (monosaccharide) or several sugar groups (oligosaccharide). The glycone and aglycone portions can be chemically separated by hydrolysis in the presence of acid. Methods: There are also numerous enzymes that can form and break glycosidic bonds. Results: The most important cleavage enzymes are the glycoside hydrolases, and the most important synthetic enzymes in nature are glycosyltransferases. Mutant enzymes termed glycosynthases have been developed that can form glycosidic bonds. Conclusions: There are a great many ways to chemically synthesize glycosidic bonds.Keywords: glycosides, bufa, squill, thioglycosides
Procedia PDF Downloads 48648 Suppression Subtractive Hybridization Technique for Identification of the Differentially Expressed Genes
Authors: Tuhina-khatun, Mohamed Hanafi Musa, Mohd Rafii Yosup, Wong Mui Yun, Aktar-uz-Zaman, Mahbod Sahebi
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Suppression subtractive hybridization (SSH) method is valuable tool for identifying differentially regulated genes in disease specific or tissue specific genes important for cellular growth and differentiation. It is a widely used method for separating DNA molecules that distinguish two closely related DNA samples. SSH is one of the most powerful and popular methods for generating subtracted cDNA or genomic DNA libraries. It is based primarily on a suppression polymerase chain reaction (PCR) technique and combines normalization and subtraction in a solitary procedure. The normalization step equalizes the abundance of DNA fragments within the target population, and the subtraction step excludes sequences that are common to the populations being compared. This dramatically increases the probability of obtaining low-abundance differentially expressed cDNAs or genomic DNA fragments and simplifies analysis of the subtracted library. SSH technique is applicable to many comparative and functional genetic studies for the identification of disease, developmental, tissue specific, or other differentially expressed genes, as well as for the recovery of genomic DNA fragments distinguishing the samples under comparison.Keywords: suppression subtractive hybridization, differentially expressed genes, disease specific genes, tissue specific genes
Procedia PDF Downloads 426647 Study on the Fabrication and Mechanical Characterization of Pineapple Fiber-Reinforced Unsaturated Polyester Resin Based Composites: Effect of Gamma Irradiation
Authors: Kamrun N. Keya, Nasrin A. Kona, Ruhul A. Khan
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Pineapple leaf fiber (PALF) reinforced polypropylene (PP) based composites were fabricated by a conventional compression molding technique. In this investigation, PALF composites were manufactured using different percentages of fiber, which were varying from 25-50% on the total weight of the composites. To fabricate the PALF/PP composites, untreated and treated fibers were selected. A systematic study was done to observe the physical, mechanical and interfacial behavior of the composites. In this study, mechanical properties of the composites such as tensile, impact and bending properties were observed precisely. It was found that 45wt% of fiber composites showed better mechanical properties than others. Maximum tensile strength (TS) and bending strength (BS) was observed, 65 MPa and 50 MPa respectively, whereas the highest tensile modulus (TM) and bending modulus (BM) was examined, 1.7 GPa and 0.85 GPa respectively. The PALF/PP based composites were treated with irradiated under gamma radiation (the source strength 50 kCi Cobalt-60) of various doses (2.5 kGy to 10 kGy). The effect of gamma radiation on the composites was also investigated, and it found that the effect of 5.0 kGy (i.e. units for radiation measurement is 'gray', kGy=kilogray ) gamma dose showed better mechanical properties than other doses. The values of TS, BS, TM, and BM of the irradiated (5.0 kGy) composites were found to improve by 19%, 23%, 17% and 25 % over non-irradiated composites. After flexural testing, fracture sides of the untreated and treated both composites were studied by scanning electron microscope (SEM). SEM results of the treated PALF/PP based composites showed better fiber-matrix adhesion and interfacial bonding than untreated PALF/PP based composites. Water uptake and soil degradation tests of untreated and treated composites were also investigated.Keywords: PALF, polypropylene, compression molding technique, gamma radiation, mechanical properties, scanning electron microscope
Procedia PDF Downloads 148646 Antimutagenic Activity of a Protein, Lectin Fraction from Urtica Dioica L.
Authors: Nijole Savickiene, Antonella Di Sotto, Gabriela Mazzanti, Rasa Starselskyte, Silvia Di Giacomo, Annabella Vitalone
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Plant lectins are non-enzymic and non-immune origin proteins that specifically recognize and bind to various sugar structures and possess the activity to agglutinate cells and/or precipitate polysaccharides and glycoconjugates. The emerging evidences showed that plant lectins contribute not only to tumour cell recognition but also to cell adhesion and localization, to signal transduction, to mitogenic cytotoxicity and apoptosis. Among chitin-binding lectins, the Urtica dioica agglutinin (UDA), which is a complex of different isoforms, has been poorly studied for its biological activity. In this context and according to the increasing interest for lectins as novel antitumor drugs, present paper aimed at evaluating the potential antimutagenic activity of a lectin-like glycoprotein-enriched fraction from aerial part of Urtica dioica L. Aim: to evaluate the potential chemopreventive properties of a protein - lectin fraction from the aerial part of Urtica dioica. Materials and methods: Protein – lectin fraction has been tested for the antimutagenic activity in bacteria (50–800 mg/plate; Ames test by the preincubation method) and for the cytotoxicity on human hepatoma HepG2 cells (0.06–2 mg/mL; 24 and 48 h incubation). Results: Protein – lectin fraction from stinging nettle was not cytotoxic on HepG2 cells up to 2 mg/mL; conversely, it exhibited a strong antimutagenic activity against the mutagen 2-aminoanthracene (2AA) in all strains tested (maximum inhibition of 56.78 and 61% in TA98, TA100, and WP2uvrA strains, respectively, at 800 mg/plate). Discussion and conclusions: Protein – lectin fraction from Urtica dioica L. possesses antimutagenic and radical scavenging properties. Being 2AA a pro-carcinogenic agent, we hypothesize that the antimutagenicity of it can be due to the inhibition of CYP450-isoenzymes, involved in the mutagen bioactivation.Keywords: lectins, antimutagenicity, chemoprevention, Urtica dioica
Procedia PDF Downloads 416645 Surface Enhanced Raman Substrate Detection on the Structure of γ-Aminobutyric Acid(GABA) Connected with Modified Gold-Chitosan Nanoparticles by Mercaptopropionic Acid (MPA)
Authors: Bingjie Wang, Su-Yeon Kwon, Ik-Joong Kang
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A Surface-enhanced Raman Scattering (SERS) as the principle for enhancing Raman scattering by molecules adsorbed on rough metal surfaces or by nanostructures is used to detect the concentration change of γ-Aminobutyric Acid (GABA). As for the gold-chitosan nanoshell, it is made by using chitosan nanoparticles crosslinking with sodium tripolyphosphate(TPP) for the first step to form the chitosan nanoparticles, which would be covered with the gold sequentially. The size of the fabricated product was around 100nm. Based on the method that the sulfur end of the MPA linked to gold can form the very strong S–Au bond, and the carboxyl group, the other end of the MPA, can easily absorb the GABA. GABA is the mainly inhibitory neurotransmitter in the mammalian central nervous system in the human body. It plays such significant role in reducing neuronal excitability throughout the nervous system. When the system formed, it generated SERS, which made a clear difference in the intensity of Raman scattering within the range of GABA concentration. So it is obtained from the experiment that the calibration curve according to the GABA concentration relevant with the SERS scattering. In this study, DLS, SEM, FT-IR, UV, SERS were used to analyze the products to obtain the conclusion.Keywords: chitosan-gold nanoshell, mercaptopropionic acid, γ-aminobutyric acid, surface-enhanced Raman scattering
Procedia PDF Downloads 256644 Synthesis of Biologically Active Heterocyclic Compounds via C-H Bond Activation
Authors: Neeraj Kumar Mishra, In Su Kim
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The isoindoline, indazole and indole heterocycles are ubiquitous structural motif found in heterocyclic compounds as they exhibit biological and medicinal applications. For example, isoindoline motif is present in molecules that act as endothelin-A receptor antagonists and dipeptidyl peptidase inhibitors. Moreover, isoindoline derivatives are very crucial constituents in the field of materials science as attractive candidates for organic light-emitting devices. However, compounds containing the indazole motif are known to exhibit to a variety of biological activities, such as estrogen receptor, HIV protease inhibition and anti-tumor activity. The prevalence of indazoles and indoles has led to the development of many useful methods for their preparation. Thus, isoindoline, indazole and indole heterocycles can be new candidates for the next generation of pharmaceuticals. Therefore, the development of highly efficient strategies for the formation of these heterocyclic architectures is an area of great interest in organic synthesis. The past years, transition-metal-catalyzed C−H activation followed by annulation reaction has been frequently used as a powerful tool to construct various heterocycles. Herein, we describe our recent achievements about the transition-metal-catalyzed tandem cyclization reactions of N-benzyltriflamides, 1,2-disubstituted arylhydrazines, acetanilides, etc. via C−H bond activation to access the corresponding bioactive heterocylic scaffolds.Keywords: biologically active, C-H activation, heterocyclic compounds, transition-metal catalysts
Procedia PDF Downloads 297643 Effect of Sodium Hydroxide Treatment on the Mechanical Properties of Crushed and Uncrushed Luffa cylindrica Fibre Reinforced rLDPE Composites
Authors: Paschal A. Ubi, Salawu Abdul Rahman Asipita
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The use of suitable engineering materials which poses less harm to ,an and the environment is sort for in recent times, thus giving rise to polymer composites filled with natural organic reinforcement which are biodegradable. Treatment of natural fibres is essential in improving matrix to filler adhesion, hence improving its mechanical properties. In this study, investigations were carried out to determine the effect of sodium hydroxide treatment on the tensile, flexural, impact and hardness properties of crushed and uncrushed luffa cylindrica fibre reinforced recycled low density polyethylene composites. The LC (Luffa Cylindrica) fibres were treated with 0%, 2%, 4%, 6%, 8%, and 10% wt. NaOH concentrations for a period of 24 hours under room temperature conditions. The compounding of the waste LDPE was done using a two roll mill at a temperature of 150 oC and cured in a hydraulic press at a temperature of 150oC for 3 minutes at 3 metric tonnes. A formulation of 20/80g (reinforcement to matrix ratio in grams) was maintained for all fabricated samples. Analysis of the results showed that the uncrushed luffa fibre samples gave better mechanical properties compared with the crushed luffa fibre samples. The uncrushed luffa fibre composites had optimum tensile and flexural strengths of 7.65MPa and 17.08Mpa respectively corresponding to a young modulus and flexural modulus of 21.08MPa and 232.22MPa for the 8% and 4%wt. NaOH concentration respectively. Results obtained in the research showed that NaOH treatment with the 8% NaOH concentration improves the mechanical properties of the LC fibre reinforced composites when compared with other NaOH treatment concentration values.Keywords: LC fibres, NaOH concentration, LC/rLDPE composite, tensile strength, flexural strength
Procedia PDF Downloads 273642 Synthesis of Flavonoid Derivatives Precursors of Active Pharmaceutical Ingredients by Mechanical Chemistry
Authors: Imen Abid, Rachel Calvet, Michel Baltas
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Flavonoids are secondary metabolites that belong to a polyphenolic class, present in fruits and vegetables, playing a significant role in biological systems. The structural variations of these flavonoids are associated with many biological and pharmacological activities (antioxidant, anti-inflammatory, anticancer, antibacterial, antifungal, antiviral, and antimalarial). Given their importance in plants and health-promoting roles in humans, significant efforts have been devoted towards their isolation of flavonoids and chemical elaboration (organic synthesis). But with the increasing public concern over environmental degradation and future resources, it is of great importance for chemists to come up with different approaches, less hazardous to human health and the environment. Being employed in large amounts, the solvents used in organic synthesis are high on the list of environmental pollutants. To overcome these problems, our approach is to develop unconventional processes involving solvent-free conditions. The application of mechanical forces to solvent-free or solvent-less reaction mixtures through the use of ball mills offers many advantages over traditional solvent-based strategies. It is one of the unconventional activation methods, which makes it possible to overcome the use of solvents, in the context of green chemistry and more respectful of the environment.Keywords: organic synthesis, green chemistry, mecanochemistry, pharmaceutical molecules
Procedia PDF Downloads 72641 Development and Characterization of Sandwich Bio-Composites Based on Short Alfa Fiber and Jute Fabric
Authors: Amine Rezzoug, Selsabil Rokia Laraba, Mourad Ancer, Said Abdi
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Composite materials are taking center stage in different fields thanks to their mechanical characteristics and their ease of preparation. Environmental constraints have led to the development of composite with natural reinforcements. The sandwich structure has the advantage to have good flexural proprieties for low density, which is why it was chosen in this work. The development of these materials is related to an energy saving strategy and environmental protection. The present work refers to the study of the development and characterization of sandwiches composites based on hybrids laminates with natural reinforcements (Alfa and Jute), a metal fabric was introduced into composite in order to have a compromise between weight and properties. We use different configurations of reinforcements (jute, metallic fabric) to develop laminates in order to use them as thin facings for sandwiches materials. While the core was an epoxy matrix reinforced with Alfa short fibers, a chemical treatment sodium hydroxide was cared to improve the adhesion of the Alfa fibers. The mechanical characterization of our materials was made by the tensile and bending test, to highlight the influence of jute and Alfa. After testing, the fracture surfaces are observed by scanning electron microscopy (SEM). Optical microscopy allowed us to calculate the degree of porosity and to observe the morphology of the individual layers. Laminates based on jute fabric have shown better results in tensile test as well as to bending, compared to those of the metallic fabric (100%, 65%). Sandwich Panels were also characterized in terms of bending test. Results we had provide, shows that this composite has sufficient properties for possible replacing conventional composite materials by considering the environmental factors.Keywords: bending test, bio-composites, sandwiches, tensile test
Procedia PDF Downloads 428640 Effect of Different Parameters in the Preparation of Antidiabetic Microparticules by Coacervation
Authors: Nawel Ouennoughi, Kamel Daoud
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During recent years, new pharmaceutical dosage forms were developed in the research laboratories and which consists of encapsulating one or more active molecules in a polymeric envelope. Several techniques of encapsulation allow obtaining the microparticles or the nanoparticles containing one or several polymers. In the industry, microencapsulation is implemented to fill the following objectives: to ensure protection, the compatibility and the stabilization of an active matter in a formulation, to carry out an adapted working, to improve the presentation of a product, to mask a taste or an odor, to modify and control the profile of release of an active matter to obtain, for example, prolonged or started effect. To this end, we focus ourselves on the encapsulation of the antidiabetic. It is an oral hypoglycemic agent belonging to the second generation of sulfonylurea’s commonly employed in the treatment of type II non-insulin-dependent diabetes in order to improve profile them dissolution. Our choice was made on the technique of encapsulation by complex coacervation with two types of polymers (gelatin and the gum Arabic) which is a physicochemical process. Several parameters were studied at the time of the formulation of the microparticles and the nanoparticles: temperature, pH, ratio of polymers etc. The microparticles and the nanoparticles obtained were characterized by microscopy, laser granulometry, FTIR and UV-visible spectrophotometry. The profile of dissolution obtained for the microparticles showed an improvement of the kinetics of dissolution compared to that obtained for the active ingredient.Keywords: coacervation, gum Arabic, microencapsulation, gelatin
Procedia PDF Downloads 264639 Effects of Paroxetine on Biochemical Parameters and Reproductive Function in Male Rats
Authors: Rachid Mosbah, Aziez Chettoum, Zouhir Djerrou, Alberto Mantovani
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Selective serotonin reuptake inhibitors (SSRI) are a class of molecules used in treating depression, anxiety, and mood disorders. Paroxetine (PRT) is one of the mostly prescribed antidepressant which has attracted great attention regarding its side effects in recent years. This study was planned to assess the adverse effects of PRT on the biochemical parameters and reproductive system. Fourteen male Wistar rats were randomly allocated into two groups (7 rats or each): control and treated with PRT at dose of 5mg/kg.bw for two weeks. At the end of the experiment, blood was collected from retro orbital plexus for measuring the biochemical parameters, whereas the reproductive organs were removed for measuring semen quality and the histological investigations. Results showed that PRT induced significant changes in some biochemical parameters and alteration of semen quality including sperm count, spermatids number and sperm viability, motility, and abnormalities. The histopathological examinations of testis and epididymis revealed an alteration of spermatogenesis, cellular disorganization and vacuolization, enlargement of interstitial space, shrinkage and degenerative changes in the epithelium of seminiferous and epididymal tubules with few to nil numbers of spermatozoa in their lumen. In conclusion, PRT treatment caused changes in some biochemical parameters and sperm profile as well as histopathologic effects of reproductive organs.Keywords: antidepressant, biochemical parameters, reproductive function, paroxetine
Procedia PDF Downloads 120638 Development and Characterization of Hydroxyapatite Based Nanocomposites for Local Drug Delivery to Periodontal Pockets
Authors: Indu Lata Kanwar, Preeti K. Suresh
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The aim of this study is to fabricate hydroxyapatite based nanocomposites for local drug delivery in periodontal pockets. Hydroxyapatite is chemically similar to the mineral component of bones and hard tissues in mammals. Synthetic biocompatibility and bioactivity with human teeth and bone, making it very attractive for biomedical applications. Nanocomposite is a multiphase solid material where one of the phases has one, two or three dimensions of less than 100 nanometres (nm), or structures having nanoscale repeat distances between the different phases that make up the material. Nanostructured calcium phosphate materials play an important role in the formation of hard tissues in nature. It is reported that calcium phosphates materials in nano-size can mimic the dimensions of constituent components of calcified tissues. Nano-sized materials offer improved performances compared with conventional materials due to their large surface-to-volume ratios. The specific biological properties of the nanocomposites, as well as their interaction with cells, include the use of bioactive molecules. The approach of periodontal tissue engineering is considered promising to restore bone defect through the use of engineered materials with the aim that they will prohibit the invasion of fibrous connective tissue and help repair the function during bone regeneration.Keywords: bioactive, hydroxyapatite, nanocomposities, periondontal
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