Search results for: optical emission spectroscopy
1085 Synthesis of Zeolites from Bauxite and Kaolin: Effect of Synthesis Parameters on Competing Phases
Authors: Bright Kwakye-Awuah, Elizabeth Von-Kiti, Isaac Nkrumah, Baah Sefa-Ntiri, Craig D. Williams
Abstract:
Bauxite and kaolin from Ghana Bauxite Company mine site were used to synthesize zeolites. Bauxite served as the alumina source and kaolin the silica source. Synthesis variations include variation of aging time at constant crystallization time and variation of crystallization times at constant aging time. Characterization techniques such as X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive x-ray analysis (EDX) and Fourier transform infrared spectroscopy (FTIR) were employed in the characterization of the raw samples as well as the synthesized samples. The results obtained showed that the transformations that occurred and the phase of the resulting products were coordinated by the aging time, crystallization time, alkaline concentration and Si/Al ratio of the system. Zeolites A, X, Y, analcime, Sodalite, and ZK-14 were some of the phases achieved. Zeolite LTA was achieved with short crystallization times of 3, 5, 18 and 24 hours and a maximum aging of 24 hours. Zeolite LSX was synthesized with 24 hr aging followed with 24 hr hydrothermal treatment whilst zeolite Y crystallized after 48 hr of aging and 24 hr crystallization. Prolonged crystallization time produced a mixed phased product. Prolonged aging times, on the other hand, did not yield any zeolite as the sample was amorphous. Increasing the alkaline content of the reaction mixture above 5M introduced sodalite phase in the final product. The properties of the final products were comparable to zeolites synthesized from pure chemical reagents.Keywords: bauxite, kaolin, aging, crystallization, zeolites
Procedia PDF Downloads 2201084 The Effect of Brand Recovery Communications on Embarrassed Consumers’ Cognitive Appraisal and Post-purchase Behavior
Authors: Kin Yan Ho
Abstract:
Negative brand news (such as Volkswagen’s faulty carbon emission reports, China’s Luckin Coffee scandal, and bribery in reputable US universities) influence how people perceive a company. Germany’s citizens claimed Volkswagen’s scandal as a national embarrassment and cannot recover their psychological damages through monetary and non-monetary compensation. The main research question is to examine how consumers evaluate and respond to embarrassing brand publicity. The cognitive appraisal theory is used as a theoretical foundation. This study describes the use of scenario-based experiment. The findings suggest that consumers with different levels of embarrassment evaluate brand remedial offers from emotion-focused and task-focused restorative justice perspectives (newly derived from the well-established scales of perceived justice). When consumers face both negative and positive brand information (i.e., negative publicity news and a remedial offer), they change their appraisal criterion. The social situation in the cognitive reappraisal process influences the quality of the customer-brand relationship and the customer’s recovery from brand embarrassment. The results also depict that the components of recovery compensation cause differences in emotion recovery, relationship quality, and repurchase intentions. This study extends embarrassment literature in an embarrassing brand publicity context. The emotional components of brand remedial tactics provide insights to brand managers on how to handle different consumers’ emotions, consumer satisfaction, and foster positive future behavior.Keywords: brand relationship quality, cognitive appraisal, crisis communications, emotion, justice, social presence
Procedia PDF Downloads 1341083 Poly(Amidoamine) Dendrimer-Cisplatin Nanocomplex Mixed with Multifunctional Ovalbumin Coated Iron Oxide Nanoparticles for Immuno-Chemotherapeutics with M1 Polarization of Macrophages
Authors: Tefera Worku Mekonnen, Hiseh Chih Tsai
Abstract:
Enhancement of drug efficacy is essential in cancer treatment. The immune stimulator ovalbumin (Ova)-coated citric acid (AC-)-stabilized iron oxide nanoparticles (AC-IO-Ova NPs) and enhanced permeability and retention (EPR) based tumor targeted 4.5 (4.5G) poly(amidoamine) dendrimer-cisplatin nanocomplex (4.5GDP-Cis-pt NC) were used for enhanced anticancer efficiency. The formations of 4.5GDP-Cis-pt NC, AC-IO, and AC-IO-Ova NPs have been examined by FTIR, X-ray diffraction, Raman, and X-ray photoelectron spectroscopy. The conjugation of cisplatin (Cis-pt) with 4.5GDP was confirmed using carbon NMR. The tumor-specific 4.5GDP-Cis-pt NC provided ~45% and 28% cumulative cisplatin release in 72 h at pH 6.5 and 7.4, respectively. A significant immune response with high TNF-α and IL-6 cytokine secretion was confirmed when the co-incubation of AC-IO-Ova with RAW 264.7 or HaCaT cells. AC-IO-Ova NP was biocompatible in different cell lines, even at a high concentration (200 µg mL−1). In contrast, AC-IO-Ova NPs mixed with 4.5GDP-Cis-pt NC (Cis-pt at 15 µg mL−1) significantly increased the cytotoxicity against the cancer cells, which is dose-dependent on the concentration of AC-IO-Ova NPs. The increased anticancer effects may be attributed to the generation of reactive oxygen species (ROS). Moreover, the efficiency of anticancer cells may be further assisted by induction of an innate immune response via M1 macrophage polarization due to the presence of AC-IO-Ova NPs. We provide a better synergestic chemoimmunotherapeutic strategy to enhance the efficiency of anticancer of cisplatin via chemotherapeutic agent 4.5GDP-Cis-pt NC and induction of proinflammatory cytokines to stimulate innate immunity through AC-IO-Ova NPs against tumors.Keywords: cisplatin-release, iron oxide, ovalbumin, poly(amidoamine) dendrimer
Procedia PDF Downloads 1451082 4D Modelling of Low Visibility Underwater Archaeological Excavations Using Multi-Source Photogrammetry in the Bulgarian Black Sea
Authors: Rodrigo Pacheco-Ruiz, Jonathan Adams, Felix Pedrotti
Abstract:
This paper introduces the applicability of underwater photogrammetric survey within challenging conditions as the main tool to enhance and enrich the process of documenting archaeological excavation through the creation of 4D models. Photogrammetry was being attempted on underwater archaeological sites at least as early as the 1970s’ and today the production of traditional 3D models is becoming a common practice within the discipline. Photogrammetry underwater is more often implemented to record exposed underwater archaeological remains and less so as a dynamic interpretative tool. Therefore, it tends to be applied in bright environments and when underwater visibility is > 1m, reducing its implementation on most submerged archaeological sites in more turbid conditions. Recent years have seen significant development of better digital photographic sensors and the improvement of optical technology, ideal for darker environments. Such developments, in tandem with powerful processing computing systems, have allowed underwater photogrammetry to be used by this research as a standard recording and interpretative tool. Using multi-source photogrammetry (5, GoPro5 Hero Black cameras) this paper presents the accumulation of daily (4D) underwater surveys carried out in the Early Bronze Age (3,300 BC) to Late Ottoman (17th Century AD) archaeological site of Ropotamo in the Bulgarian Black Sea under challenging conditions (< 0.5m visibility). It proves that underwater photogrammetry can and should be used as one of the main recording methods even in low light and poor underwater conditions as a way to better understand the complexity of the underwater archaeological record.Keywords: 4D modelling, Black Sea Maritime Archaeology Project, multi-source photogrammetry, low visibility underwater survey
Procedia PDF Downloads 2361081 Highly Efficient Iron Oxide-Sulfonated Graphene Oxide Catalyst for Esterification and Trans-Esterification Reactions
Authors: Reena D. Souza, Tripti Vats, Prem F. Siril
Abstract:
Esterification of free fatty acid (oleic acid) and transesterification of waste cooking oil (WCO) with ethanol over graphene oxide (GO), GO-Fe2O3, sulfonated GO (GO-SO3H), and Fe2O3/GO-SO3H catalysts were examined in the present study. Iron oxide supported graphene-based acid catalyst (Fe2O3/GO-SO3H) exhibited highest catalytic activity. GO was prepared by modified Hummer’s process. The GO-Fe2O3 nanocomposites were prepared by the addition of NaOH to a solution containing GO and FeCl3. Sulfonation was done using concentrated sulfuric acid. Transmissionelectron microscopy (TEM) and atomic force microscopy (AFM) imaging revealed the presence of Fe2O3 particles having size in the range of 50-200 nm. Crystal structure was analyzed by XRD and defect states of graphene were characterized using Raman spectroscopy. The effects of the reaction variables such as catalyst loading, ethanol to acid ratio, reaction time and temperature on the conversion of fatty acids were studied. The optimum conditions for the esterification process were molar ratio of alcohol to oleic acid at 12:1 with 5 wt% of Fe2O3/GO-SO3H at 1000C with a reaction time of 4h yielding 99% of ethyl oleate. This is because metal oxide supported solid acid catalysts have advantages of having both strong Brønsted as well as Lewis acid properties. The biodiesel obtained by transesterification of WCO was characterized by 1H NMR and Gas Chromatography techniques. XRD patterns of the recycled catalyst evidenced that the catalyst structure was unchanged up to the 5th cycle, which indicated the long life of the catalyst.Keywords: Fe₂O₃/GO-SO₃H, Graphene Oxide, GO-Fe₂O₃, GO-SO₃H, WCO
Procedia PDF Downloads 2771080 Optimization and Validation for Determination of VOCs from Lime Fruit Citrus aurantifolia (Christm.) with and without California Red Scale Aonidiella aurantii (Maskell) Infested by Using HS-SPME-GC-FID/MS
Authors: K. Mohammed, M. Agarwal, J. Mewman, Y. Ren
Abstract:
An optimum technic has been developed for extracting volatile organic compounds which contribute to the aroma of lime fruit (Citrus aurantifolia). The volatile organic compounds of healthy and infested lime fruit with California red scale Aonidiella aurantii were characterized using headspace solid phase microextraction (HS-SPME) combined with gas chromatography (GC) coupled flame ionization detection (FID) and gas chromatography with mass spectrometry (GC-MS) as a very simple, efficient and nondestructive extraction method. A three-phase 50/30 μm PDV/DVB/CAR fibre was used for the extraction process. The optimal sealing and fibre exposure time for volatiles reaching equilibrium from whole lime fruit in the headspace of the chamber was 16 and 4 hours respectively. 5 min was selected as desorption time of the three-phase fibre. Herbivorous activity induces indirect plant defenses, as the emission of herbivorous-induced plant volatiles (HIPVs), which could be used by natural enemies for host location. GC-MS analysis showed qualitative differences among volatiles emitted by infested and healthy lime fruit. The GC-MS analysis allowed the initial identification of 18 compounds, with similarities higher than 85%, in accordance with the NIST mass spectral library. One of these were increased by A. aurantii infestation, D-limonene, and three were decreased, Undecane, α-Farnesene and 7-epi-α-selinene. From an applied point of view, the application of the above-mentioned VOCs may help boost the efficiency of biocontrol programs and natural enemies’ production techniques.Keywords: lime fruit, Citrus aurantifolia, California red scale, Aonidiella aurantii, VOCs, HS-SPME/GC-FID-MS
Procedia PDF Downloads 2131079 Nanoparticle Based Green Inhibitor for Corrosion Protection of Zinc in Acidic Medium
Authors: Neha Parekh, Divya Ladha, Poonam Wadhwani, Nisha Shah
Abstract:
Nano scaled materials have attracted tremendous interest as corrosion inhibitor due to their high surface area on the metal surfaces. It is well known that the zinc oxide nanoparticles have higher reactivity towards aqueous acidic solution. This work presents a new method to incorporate zinc oxide nanoparticles with white sesame seeds extract (nano-green inhibitor) for corrosion protection of zinc in acidic medium. The morphology of the zinc oxide nanoparticles was investigated by TEM and DLS. The corrosion inhibition efficiency of the green inhibitor and nano-green inhibitor was determined by Gravimetric and electrochemical impedance spectroscopy (EIS) methods. Gravimetric measurements suggested that nano-green inhibitor is more effective than green inhibitor. Furthermore, with the increasing temperature, inhibition efficiency increases for both the inhibitors. In addition, it was established the Temkin adsorption isotherm fits well with the experimental data for both the inhibitors. The effect of temperature and Temkin adsorption isotherm revealed Chemisorption mechanism occurring in the system. The activation energy (Ea) and other thermodynamic parameters for inhibition process were calculated. The data of EIS showed that the charge transfer controls the corrosion process. The surface morphology of zinc metal (specimen) in absence and presence of green inhibitor and nano-green inhibitor were performed using Scanning Electron Microscopy (SEM) and Atomic Force Microscopy (AFM) techniques. The outcomes indicated a formation of a protective layer over zinc metal (specimen).Keywords: corrosion, green inhibitor, nanoparticles, zinc
Procedia PDF Downloads 4541078 Cenomanian-Turonian Oceanic Anoxic Event, Palynofacies and Optical Kerogen Analysis in Abu Gharadig Basin, Egypt
Authors: Mohamed Ibrahim, Suzan Kholeif
Abstract:
The Cenomanian-Turonian boundary was a ‘greenhouse’ period. The atmosphere at that time was characterized by high CO₂; in addition, there was the widespread deposition of organic-rich sediments anomalously rich in organic carbon. The sediments, palynological, total organic carbon (TOC), stable carbon and oxygen isotopes (δ¹³C, δ¹⁸O, organic) of the Cenomanian-Turonian Bahariya and basal Abu Roash formations at the southern Tethys margin were studied in two deep wells (AG5 and AG-13), Abu Gharadig Oil Field, North Western Desert, Egypt. Some of the marine (dinoflagellate cysts), as well as the terrestrial palynoflora (spores and pollen grains), reveal extinction and origination patterns that are known elsewhere, although other species may be survived across the Cenomanian-Turonian boundary. This implies control of global changes on the palynoflora, i.e., impact of Oceanic Anoxic Event OAE2 (Bonarelli Event), rather than changes in the local environmental conditions. The basal part of the Abu Roach Formation ('G' and 'F' members, late Cenomanian) shows a positive δ ¹³C excursion of the organic fraction. The TOC is generally high between 2.20 and 3.04 % in the basal Abu Roash Formation: shale of 'G' and carbonate of 'F' members, which indicates that these two members are the main Cretaceous source rocks in the Abu Gharadig Basin and have a type I-II kerogen composition. They are distinguished by an abundance of amorphous organic matter AOM and Chlorococcalean algae, mainly Pediastrum and Scenedesmus, along with subordinate dinoflagellate cysts.Keywords: oceanic anoxic event, cenomanian-turonian, palynofacies, western desert, Egypt
Procedia PDF Downloads 1321077 Evaluation of Life Cycle Assessment in Furniture Manufacturing by Analytical Hierarchy Process
Authors: Majid Azizi, Payam Ghorbannezhad, Mostafa Amiri, Mohammad Ghofrani
Abstract:
Environmental issues in the furniture industry are of great importance due to the use of natural materials such as wood and chemical substances like adhesives and paints. These issues encompass environmental conservation and managing pollution and waste generated. Improper use of wood resources, along with the use of chemicals and their release, leads to the depletion of natural resources, damage to forests, and the emission of greenhouse gases. Therefore, identifying influential indicators in the life cycle assessment of classic furniture and proposing solutions to reduce environmental impacts becomes crucial. In this study, the life cycle of classic furniture was evaluated using a hierarchical analytical process from cradle to grave. The life cycle assessment was employed to assess the environmental impacts of the furniture industry, ranging from raw material extraction to waste disposal and recycling. The most significant indicators in the furniture industry's production chain were also identified. The results indicated that the wood quality indicator is the most essential factor in the life cycle of classic furniture. Furthermore, the relative contribution of each type of traditional furniture was proposed concerning impact categories in the life cycle assessment. The results showed that among the three proposed types, the design and production of furniture with prefabricated parts had the most negligible impact in categories such as global warming potential and ozone layer depletion compared to furniture design with solid wood and furniture design with recycled components. Among the three suggested types of furniture to reduce environmental impacts, producing furniture with solid wood or other woods was chosen as the most crucial solution.Keywords: life cycle assessment, analytic hierarchy process, environmental issues, furniture
Procedia PDF Downloads 651076 MXene-Based Self-Sensing of Damage in Fiber Composites
Authors: Latha Nataraj, Todd Henry, Micheal Wallock, Asha Hall, Christine Hatter, Babak Anasori, Yury Gogotsi
Abstract:
Multifunctional composites with enhanced strength and toughness for superior damage tolerance are essential for advanced aerospace and military applications. Detection of structural changes prior to visible damage may be achieved by incorporating fillers with tunable properties such as two-dimensional (2D) nanomaterials with high aspect ratios and more surface-active sites. While 2D graphene with large surface areas, good mechanical properties, and high electrical conductivity seems ideal as a filler, the single-atomic thickness can lead to bending and rolling during processing, requiring post-processing to bond to polymer matrices. Lately, an emerging family of 2D transition metal carbides and nitrides, MXenes, has attracted much attention since their discovery in 2011. Metallic electronic conductivity and good mechanical properties, even with increased polymer content, coupled with hydrophilicity make MXenes a good candidate as a filler material in polymer composites and exceptional as multifunctional damage indicators in composites. Here, we systematically study MXene-based (Ti₃C₂) coated on glass fibers for fiber reinforced polymer composite for self-sensing using microscopy and micromechanical testing. Further testing is in progress through the investigation of local variations in optical, acoustic, and thermal properties within the damage sites in response to strain caused by mechanical loading.Keywords: damage sensing, fiber composites, MXene, self-sensing
Procedia PDF Downloads 1211075 Designing, Preparation and Structural Evaluation of Co-Crystals of Oxaprozin
Authors: Maninderjeet K. Grewal, Sakshi Bhatnor, Renu Chadha
Abstract:
The composition of pharmaceutical entities and the molecular interactions can be altered to optimize drug properties such as solubility and bioavailability by the crystal engineering technique. The present work has emphasized on the preparation, characterization, and biopharmaceutical evaluation of co-crystal of BCS Class II anti-osteoarthritis drug, Oxaprozin (OXA) with aspartic acid (ASPA) as co-former. The co-crystals were prepared through the mechanochemical solvent drop grinding method. Characterization of the prepared co-crystal (OXA-ASPA) was done by using analytical tools such as differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FT-IR), powder X-ray diffraction (PXRD). DSC thermogram of OXA-ASPA cocrystal showed a single sharp melting endotherm at 235 ºC, which was between the melting peaks of the drug and the counter molecules suggesting the formation of a new phase which is a co-crystal that was further confirmed by using other analytical techniques. FT-IR analysis of OXA-ASPA cocrystal showed a shift in a hydroxyl, carbonyl, and amine peaks as compared to pure drugs indicating all these functional groups are participating in cocrystal formation. The appearance of new peaks in the PXRD pattern of cocrystals in comparison to individual components showed that a new crystalline entity has been formed. The Crystal structure of cocrystal was determined using material studio software (Biovia) from PXRD. The equilibrium solubility study of OXA-ASPA showed improvement in solubility as compared to pure drug. Therefore, it was envisioned to prepare the co-crystal of oxaprozin with a suitable conformer to modulate its physiochemical properties and consequently, the biopharmaceutical parameters.Keywords: cocrystals, coformer, oxaprozin, solubility
Procedia PDF Downloads 1151074 Kinetic Study on Extracting Lignin from Black Liquor Using Deep Eutectic Solvents
Authors: Fatemeh Saadat Ghareh Bagh, Srimanta Ray, Jerald Lalman
Abstract:
Lignin, the largest inventory of organic carbon with a high caloric energy value is a major component in woody and non-woody biomass. In pulping mills, a large amount of the lignin is burned for energy. At the same time, the phenolic structure of lignin enables it to be converted to value-added compounds.This study has focused on extracting lignin from black liquor using deep eutectic solvents (DESs). Therefore, three choline chloride (ChCl)-DESs paired with lactic acid (LA) (1:11), oxalic acid.2H₂O (OX) (1:4), and malic acid (MA) (1:3) were synthesized at 90oC and atmospheric pressure. The kinetics of lignin recovery from black liquor using DES was investigated at three moderate temperatures (338, 353, and 368 K) at time intervals from 30 to 210 min. The extracted lignin (acid soluble lignin plus Klason lignin) was characterized by Fourier transform infrared spectroscopy (FTIR). The FTIR studies included comparing the extracted lignin with a model Kraft lignin. The extracted lignin was characterized spectrophotometrically to determine the acid soluble lignin (ASL) [TAPPI UM 250] fraction and Klason lignin was determined gravimetrically using TAPPI T 222 om02. The lignin extraction reaction using DESs was modeled by first-order reaction kinetics and the activation energy of the process was determined. The ChCl:LA-DES recovered lignin was 79.7±2.1% at 368K and a DES:BL ratio of 4:1 (v/v). The quantity of lignin extracted for the control solvent, [emim][OAc], was 77.5+2.2%. The activation energy measured for the LA-DES system was 22.7 KJ mol⁻¹, while the activation energy for the OX-DES and MA-DES systems were 7.16 KJ·mol⁻¹ and 8.66 KJ·mol⁻¹ when the total lignin recovery was 75.4 ±0.9% and 62.4 ±1.4, % respectively.Keywords: black liquor, deep eutectic solvents, kinetics, lignin
Procedia PDF Downloads 1471073 Enhancement of Mechanical Properties for Al-Mg-Si Alloy Using Equal Channel Angular Pressing
Authors: W. H. El Garaihy, A. Nassef, S. Samy
Abstract:
Equal channel angular pressing (ECAP) of commercial Al-Mg-Si alloy was conducted using two strain rates. The ECAP processing was conducted at room temperature and at 250 °C. Route A was adopted up to a total number of four passes in the present work. Structural evolution of the aluminum alloy discs was investigated before and after ECAP processing using optical microscopy (OM). Following ECAP, simple compression tests and Vicker’s hardness were performed. OM micrographs showed that, the average grain size of the as-received Al-Mg-Si disc tends to be larger than the size of the ECAP processed discs. Moreover, significant difference in the grain morphologies of the as-received and processed discs was observed. Intensity of deformation was observed via the alignment of the Al-Mg-Si consolidated particles (grains) in the direction of shear, which increased with increasing the number of passes via ECAP. Increasing the number of passes up to 4 resulted in increasing the grains aspect ratio up to ~5. It was found that the pressing temperature has a significant influence on the microstructure, Hv-values, and compressive strength of the processed discs. Hardness measurements demonstrated that 1-pass resulted in increase of Hv-value by 42% compared to that of the as-received alloy. 4-passes of ECAP processing resulted in additional increase in the Hv-value. A similar trend was observed for the yield and compressive strength. Experimental data of the Hv-values demonstrated that there is a lack of any significant dependence on the processing strain rate.Keywords: Al-Mg-Si alloy, equal channel angular pressing, grain refinement, severe plastic deformation
Procedia PDF Downloads 4351072 Development of Star Image Simulator for Star Tracker Algorithm Validation
Authors: Zoubida Mahi
Abstract:
A successful satellite mission in space requires a reliable attitude and orbit control system to command, control and position the satellite in appropriate orbits. Several sensors are used for attitude control, such as magnetic sensors, earth sensors, horizon sensors, gyroscopes, and solar sensors. The star tracker is the most accurate sensor compared to other sensors, and it is able to offer high-accuracy attitude control without the need for prior attitude information. There are mainly three approaches in star sensor research: digital simulation, hardware in the loop simulation, and field test of star observation. In the digital simulation approach, all of the processes are done in software, including star image simulation. Hence, it is necessary to develop star image simulation software that could simulate real space environments and various star sensor configurations. In this paper, we present a new stellar image simulation tool that is used to test and validate the stellar sensor algorithms; the developed tool allows to simulate of stellar images with several types of noise, such as background noise, gaussian noise, Poisson noise, multiplicative noise, and several scenarios that exist in space such as the presence of the moon, the presence of optical system problem, illumination and false objects. On the other hand, we present in this paper a new star extraction algorithm based on a new centroid calculation method. We compared our algorithm with other star extraction algorithms from the literature, and the results obtained show the star extraction capability of the proposed algorithm.Keywords: star tracker, star simulation, star detection, centroid, noise, scenario
Procedia PDF Downloads 961071 Research of Actuators of Common Rail Injection Systems with the Use of LabVIEW on a Specially Designed Test Bench
Authors: G. Baranski, A. Majczak, M. Wendeker
Abstract:
Currently, the most commonly used solution to provide fuel to the diesel engines is the Common Rail system. Compared to previous designs, as a due to relatively simple construction and electronic control systems, these systems allow achieving favourable engine operation parameters with particular emphasis on low emission of toxic compounds into the atmosphere. In this system, the amount of injected fuel dose is strictly dependent on the course of parameters of the electrical impulse sent by the power amplifier power supply system injector from the engine controller. The article presents the construction of a laboratory test bench to examine the course of the injection process and the expense in storage injection systems. The test bench enables testing of injection systems with electromagnetically controlled injectors with the use of scientific engineering tools. The developed system is based on LabView software and CompactRIO family controller using FPGA systems and a real time microcontroller. The results of experimental research on electromagnetic injectors of common rail system, controlled by a dedicated National Instruments card, confirm the effectiveness of the presented approach. The results of the research described in the article present the influence of basic parameters of the electric impulse opening the electromagnetic injector on the value of the injected fuel dose. Acknowledgement: This work has been realized in the cooperation with The Construction Office of WSK ‘PZL-KALISZ’ S.A.’ and is part of Grant Agreement No. POIR.01.02.00-00-0002/15 financed by the Polish National Centre for Research and Development.Keywords: fuel injector, combustion engine, fuel pressure, compression ignition engine, power supply system, controller, LabVIEW
Procedia PDF Downloads 1311070 Use of Amaranthus Roxburghianus Root Extract in the Treatment of Ulcerative Colitis in Mice
Authors: S. A. Nirmal, J. M. Ingale, G. S. Asane, S. C. Pal, Subhash C. Mandal
Abstract:
The present work was undertaken to determine the effects of Amaranthus roxburghianus Nevski. (Amaranthaceae) root alone and in combination with piperine in treating ulcerative colitis (UC) in mice. Swiss albino mice were divided into seven groups (n = 6). Standard group received prednisolone (5 mg/kg, i.p.). Treatment groups received hydroalcoholic extract of roots of A. roxburghianus (50 and 100 mg/kg, p.o.) and a combination of hydroalcoholic extract of roots of A. roxburghianus (50 and 100 mg/kg, p.o.) and piperine (5 mg/kg, p.o.). Ulcer index, colitis severity, myeloperoxidase (MPO), malondialdehyde and glutathione were estimated from blood and tissue. Column chromatography of the extract was done and purified fractions were analyzed by gas chromatography-mass spectroscopy (GC-MS). Treatment with the combination of hydroalcoholic extract of A. roxburghianus and piperine showed minimal ulceration, hemorrhage, necrosis and leucocyte infiltration by histopathological observation. Acetic acid increased MPO levels in blood and colon tissue to 355 U/mL and 385 U/mg, respectively. The combination of hydroalcoholic extract (100 mg/kg) and piperine (5 mg/kg) significantly decreased MPO in blood and tissue to 182 U/mL and 193 U/mg, respectively. Similarly, this combination significantly reduced MPO and increased glutathione levels in blood and tissue. Various phytoconstituents were detected by GC-MS. The combination of hydroalcoholic extract and piperine is effective in the treatment of UC and the effects are comparable with the standard drug prednisolone. 4H-pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl, eugenol and benzene, and 1-(1,5-dimethyl-4-hexenyl)-4-methyl are reported having analgesic, anti-inflammatory, and antioxidant properties; they may play a role in the biological activity of A. roxburghianus root.Keywords: Amaranthus roxburghianus, ulcerative colitis, anti-inflammatory, ulcerative colitis
Procedia PDF Downloads 5281069 The Role of Bone Marrow Stem Cells Transplantation in the Repair of Damaged Inner Ear in Albino Rats
Authors: Ahmed Gaber Abdel Raheem, Nashwa Ahmed Mohamed
Abstract:
Introduction: Sensorineural hearing loss (SNHL) is largely caused by the degeneration of the cochlea. Therapeutic options for SNHL are limited to hearing aids and cochlear implants. The cell transplantation approach to the regeneration of hair cells has gained considerable attention because stem cells are believed to accumulate in the damaged sites and have the potential for the repair of damaged tissues. The aim of the work: was to assess the use of bone marrow transplantation in repair of damaged inner ear hair cells in rats after the damage had been inflicted by Amikacin injection. Material and Methods: Thirty albino rats were used in this study. They were divided into three groups. Each group ten rats. Group I: used as control. Group II: Were given Amikacin- intratympanic injection till complete loss of hearing function. This could be assessed by Distortion product Otoacoustic Emission (DPOAEs) and / or auditory brain stem evoked potential (ABR). GroupIII: were given intra-peritoneal injection of bone marrow stem cell after complete loss of hearing caused by Amikacin. Clinical assessment was done using DPOAEs and / or auditory brain stem evoked potential (ABR), before and after bone marrow injection. Histological assessment of the inner ear was done by light and electron microscope. Also, Detection of stem cells in the inner ear by immunohistochemistry. Results: Histological examination of the specimens showed promising improvement in the structure of cochlea that may be responsible for the improvement of hearing function in rats detected by DPOAEs and / or ABR. Conclusion: Bone marrow stem cells transplantation might be useful for the treatment of SNHL.Keywords: amikacin, hair cells, sensorineural hearing loss, stem cells
Procedia PDF Downloads 4491068 Carbon Aerogel Spheres from Resorcinol/Phenol and Formaldehyde for CO₂ Adsorption
Authors: Jessica Carolina Hernandez Galeano, Juan Carlos Moreno Pirajan, Liliana Giraldo
Abstract:
Carbon gels are materials whose structure and porous texture can be designed and controlled on a nanoscale. Among their characteristics it is found their low density, large surface area and high degree of porosity. These materials are produced by a sol-gel polymerization of organic monomers using basic or acid catalysts, followed by drying and controlled carbonization. In this work, the synthesis and characterization of carbon aerogels from resorcinol, phenol and formaldehyde in ethanol is described. The aim of this study is obtaining different carbonaceous materials in the form of spheres using the Stöber method to perform a further evaluation of CO₂ adsorption of each material. In general, the synthesis consisted of a sol-gel polymerization process that generates a cluster (cross-linked organic monomers) from the precursors in the presence of NH₃ as a catalyst. This cluster was subjected to specific conditions of gelling and curing (30°C for 24 hours and 100°C for 24 hours, respectively) and CO₂ supercritical drying. Finally, the dry material was subjected to a process of carbonization or pyrolysis, in N₂ atmosphere at 350°C (1° C / min) for 2 h and 600°C (1°C / min) for 4 hours, to obtain porous solids that retain the structure initially desired. For this work, both the concentrations of the precursors and the proportion of ammonia in the medium where modify to describe the effect of the use of phenol and the amount of catalyst in the resulting material. Carbon aerogels were characterized by Scanning Electron Microscope (SEM), N₂ isotherms, infrared spectroscopy (IR) and X-ray Powder Diffraction (XRD) showing the obtention of carbon spheres in the nanometric scale with BET areas around 500 m2g-1.Keywords: carbon aerogels, carbon spheres, CO₂ adsorption, Stöber method
Procedia PDF Downloads 1391067 Role of Biomaterial Surface Nanotopography on Protein Unfolding and Immune Response
Authors: Rahul Madathiparambil Visalakshan, Alex Cavallaro, John Hayball, Krasimir Vasilev
Abstract:
The role of biomaterial surface nanotopograhy on fibrinogen adsorption and unfolding, and the subsequent immune response were studied. Inconsistent topography and varying chemical functionalities along with a lack of reproducibility pose a challenge in determining the specific effects of nanotopography or chemistry on proteins and cells. It is important to have a well-defined nanotopography with a homogeneous chemistry to study the real effect of nanotopography on biological systems. Therefore, we developed a technique that can produce well-defined and highly reproducible topography to identify the role of specific roughness, size, height and density with the presence of homogeneous chemical functionality. Using plasma polymerisation of oxazoline monomers and immobilized gold nanoparticles we created surfaces with an equal number density of nanoparticles of different sizes. This surface was used to study the role of surface nanotopography and the interplay of surface chemistry on proteins and immune cells. The effect of nanotopography on fibrinogen adsorption was investigated using Quartz Cristal Microbalance with Dissipation and micro BCA. The mass of fibrinogen adsorbed on the surface increased with increasing size of nano-topography. Protein structural changes up on adsorption to the nano rough surface was studied using circular dichroism spectroscopy. Fibrinogen unfolding varied depending on the specific nanotopography of the surfaces. It was revealed that the in vitro immune response to the nanotopography surfaces changed due to this protein unfolding.Keywords: biomaterial inflammation, protein and cell responses, protein unfolding, surface nanotopography
Procedia PDF Downloads 1761066 Review of Strategies for Hybrid Energy Storage Management System in Electric Vehicle Application
Authors: Kayode A. Olaniyi, Adeola A. Ogunleye, Tola M. Osifeko
Abstract:
Electric Vehicles (EV) appear to be gaining increasing patronage as a feasible alternative to Internal Combustion Engine Vehicles (ICEVs) for having low emission and high operation efficiency. The EV energy storage systems are required to handle high energy and power density capacity constrained by limited space, operating temperature, weight and cost. The choice of strategies for energy storage evaluation, monitoring and control remains a challenging task. This paper presents review of various energy storage technologies and recent researches in battery evaluation techniques used in EV applications. It also underscores strategies for the hybrid energy storage management and control schemes for the improvement of EV stability and reliability. The study reveals that despite the advances recorded in battery technologies there is still no cell which possess both the optimum power and energy densities among other requirements, for EV application. However combination of two or more energy storages as hybrid and allowing the advantageous attributes from each device to be utilized is a promising solution. The review also reveals that State-of-Charge (SoC) is the most crucial method for battery estimation. The conventional method of SoC measurement is however questioned in the literature and adaptive algorithms that include all model of disturbances are being proposed. The review further suggests that heuristic-based approach is commonly adopted in the development of strategies for hybrid energy storage system management. The alternative approach which is optimization-based is found to be more accurate but is memory and computational intensive and as such not recommended in most real-time applications.Keywords: battery state estimation, hybrid electric vehicle, hybrid energy storage, state of charge, state of health
Procedia PDF Downloads 2421065 Pale, Firm and Non-Exudative (PFN): An Emerging Major Broiler Breast Meat Group
Authors: Cintia Midori Kaminishikawahara, Fernanda Jéssica Mendonça, Moisés Grespan, Elza Iouko Ida, Massami Shimokomaki, Adriana Lourenço Soares
Abstract:
The quality of broiler breast meat is changing as a result of continuing emphasis on genetically bird’s selection for efficiently higher meat production. The consumer is experiencing a cooked product that is drier and less juicy when consumed. Breast meat has been classified as PSE (pale, soft, exudative), DFD (dark, firm, dry) and normal color meat. However, recently variations of this color have been observed and they are not in line with the specificity of the meat functional properties. Thus, the objective of this work was to report the finding of a new pale meat color group characterized as Pale, Firm and Non-exudative (PFN) based on its pH, color, meat functional properties and micro structural evaluation. Breast meat fillets samples (n=1045) from commercial line were classified into PSE (pH ≤5.8, L* ≥ 53.0), PFN (pH > 5.8 and L* ≥ 53.0) and Normal (pH >5.8 and L* < 53.0), based on pH and L* values. In sequence, a total of 30 samples of each group were analyzed for the water holding capacity (WHC) and shear force (SF). The incidence was 9.1% for PSE meat, 85.7% for PFN and 5.2% for Normal meat. The PSE meat presented lower values of WHC (P ≤ 0.05) followed in sequence by PFN and Normal samples and also the SF values of fresh PFN was higher than PSE meat (P ≤ 0.05) and similar to Normal samples. Under optical microscopy, the cell diameter was 10% higher for PFN in relation to PSE meat and similar to Normal meat. These preliminary results indicate an emerging group of breast meat and it should be considered that the Pale, Firm and Non-exudative should be considered as an ideal broiler breast meat quality.Keywords: broiler PSE meat, light microscopy, texture, water holding capacity
Procedia PDF Downloads 3541064 Biodegradable Polymer Film Incorporated with Polyphenols for Active Packaging
Authors: Shubham Sharma, Swarna Jaiswal, Brendan Duffy, Amit Jaiswal
Abstract:
The key features of any active packaging film are its biodegradability and antimicrobial properties. Biological macromolecules such as polyphenols (ferulic acid (FA) and tannic acids (TA)) are naturally found in plants such as grapes, berries, and tea. In this study, antimicrobial activity screening of several polyphenols was carried out by using minimal inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) against two strains of gram-negative bacteria - Salmonella typhimurium, Escherichia coli, and two-gram positive strains - Staphylococcus aureus and Listeria monocytogenes. FA and TA had shown strong antibacterial activity at the low concentration against both gram-positive and gram-negative bacteria. The selected polyphenols FA and TA were incorporated at various concentrations (1%, 5%, and 10% w/w) in the poly(lactide) – poly (butylene adipate-co-terephthalate) (PLA-PBAT) composite film by using the solvent casting method. The effect of TA and FA incorporation in the packaging was characterized based on morphological, optical, color, mechanical, thermal, and antimicrobial properties. The thickness of the FA composite film was increased by 1.5 – 7.2%, while for TA composite film, it increased by 0.018 – 1.6%. FA and TA (10 wt%) composite film had shown approximately 65% - 66% increase in the UV barrier property. As the FA and TA concentration increases from 1% - 10% (w/w), the TS value increases by 1.98 and 1.80 times, respectively. The water contact angle of the film was observed to decrease significantly with the increase in the FA and TA content in the composite film. FA has shown more significant increase in antimicrobial activity than TA in the composite film against Listeria monocytogenes and E. coli. The FA and TA composite film has the potential for its application as an active food packaging.Keywords: active packaging, biodegradable film, polyphenols, UV barrier, tensile strength
Procedia PDF Downloads 1521063 Integrating Efficient Anammox with Enhanced Biological Phosphorus Removal Process Through Flocs Management for Sustainable Ultra-deep Nutrients Removal from Municipal Wastewater
Authors: Qiongpeng Dan, Xiyao Li, Qiong Zhang, Yongzhen Peng
Abstract:
The nutrients removal from wastewater is of great significance for global wastewater recycling and sustainable reuse. Traditional nitrogen and phosphorus removal processes are very dependent on the input of aeration and carbon sources, which makes it difficult to meet the low-carbon goal of energy saving and emission reduction. This study reported a proof-of-concept demonstration of integrating anammox and enhanced biological phosphorus removal (EBPR) by flocs management in a single-stage hybrid bioreactor (biofilms and flocs) for simultaneous nitrogen and phosphorus removal (SNPR). Excellent removal efficiencies of nitrogen (97.7±1.3%) and phosphorus (97.4±0.7%) were obtained in low C/N ratio (3.0±0.5) municipal wastewater treatment. Interestingly, with the loss of flocs, anammox bacteria (Ca. Brocadia) was highly enriched in biofilms, with relative and absolute abundances reaching up to 12.5% and 8.3×1010 copies/g dry sludge, respectively. The anammox contribution to nitrogen removal also rose from 32.6±9.8% to 53.4±4.2%. Endogenous denitrification by flocs was proven to be the main contributor to both nitrite and nitrate reduction, and flocs loss significantly promoted nitrite flow towards anammox, facilitating AnAOB enrichment. Moreover, controlling the floc's solid retention time at around 8 days could maintain a low poly-phosphorus level of 0.02±0.001 mg P/mg VSS in the flocs, effectively addressing the additional phosphorus removal burden imposed by the enrichment of phosphorus-accumulating organisms in biofilms. This study provides an update on developing a simple and feasible strategy for integrating anammox and EBPR for SNPR in mainstream municipal wastewater.Keywords: anammox process, enhanced biological phosphorus removal, municipal wastewater, sustainable nutrients removal
Procedia PDF Downloads 511062 Antibacterial Activity of Silver Nanoparticles of Extract of Leaf of Nauclea latifolia (Sm.) against Some Selected Clinical Isolates
Authors: Mustapha Abdulsalam, R. N. Ahmed
Abstract:
Nauclea latifolia is one of the medicinal plants used in traditional Nigerian medicine in the treatment of various diseases such as fever, toothaches, malaria, diarrhea among several other conditions. Nauclea latifolia leaf extract acts as a capping and reducing agent in the formation of silver nanoparticles. Silver nanoparticles (AgNPs) were synthesized using a combination of aqueous extract of Nauclea latifolia and 1mM of silver nitrate (AgNO₃) solution to obtain concentrations of 100mg/ml-400mg/ml. Characterization of the particles was done by UV-Vis spectroscopy and Fourier transform infrared (FTIR). In this study, aqueous as well as ethanolic extract of leaf of Nauclea latifolia were investigated for antibacterial activity using the standard agar well diffusion technique against three clinical isolates (Escherichia coli, Staphylococcus aureus, and Pseudomonas aeruginosa). The Minimum Inhibitory Concentration (MIC) was achieved by microbroth dilution method and Minimum Bactericidal Concentration (MBC) was also determined by plate assay. Characterization by UV-visible spectrometry revealed peak absorbance of 0.463 at 450.0nm, while FTIR showed the presence of two functional groups. At 400mg/ml, the highest inhibitory activities were observed with S.aureus and E.coli with zones of inhibition measuring 20mm and 18mm respectively. The MIC was obtained at 400mg/ml while MBC was at a higher concentration. The data from this study indicate the potential of silver nanoparticle of Nauclea latifolia as a suitable alternative antibacterial agent for incorporation into orthodox medicine in health care delivery in Nigeria.Keywords: agar well diffusion, antimicrobial activity, Nauclea latifolia, silver nanoparticles
Procedia PDF Downloads 2061061 Combining Transcriptomics, Bioinformatics, Biosynthesis Networks and Chromatographic Analyses for Cotton Gossypium hirsutum L. Defense Volatiles Study
Authors: Ronald Villamar-Torres, Michael Staudt, Christopher Viot
Abstract:
Cotton Gossypium hirsutum L. is one of the most important industrial crops, producing the world leading natural textile fiber, but is very prone to arthropod attacks that reduce crop yield and quality. Cotton cultivation, therefore, makes an outstanding use of chemical pesticides. In reaction to herbivorous arthropods, cotton plants nevertheless show natural defense reactions, in particular through volatile organic compounds (VOCs) emissions. These natural defense mechanisms are nowadays underutilized but have a very high potential for cotton cultivation, and elucidating their genetic bases will help to improve their use. Simulating herbivory attacks by mechanical wounding of cotton plants in greenhouse, we studied by qPCR the changes in gene expression for genes of the terpenoids biosynthesis pathway. Differentially expressed genes corresponded to higher levels of the terpenoids biosynthesis pathway and not to enzymes synthesizing particular terpenoids. The genes were mapped on the G. hirsutum L. reference genome; their global relationships inside the general metabolic pathways and the biosynthesis of secondary metabolites were visualized with iPath2. The chromatographic profiles of VOCs emissions indicated first monoterpenes and sesquiterpenes emissions, dominantly four molecules known to be involved in plant reactions to arthropod attacks. As a result, the study permitted to identify potential key genes for the emission of volatile terpenoids by cotton plants in reaction to an arthropod attack, opening possibilities for molecular-assisted cotton breeding in benefit of smallholder cotton growers.Keywords: biosynthesis pathways, cotton, mechanisms of plant defense, terpenoids, volatile organic compounds
Procedia PDF Downloads 3741060 Use of Magnetically Separable Molecular Imprinted Polymers for Determination of Pesticides in Food Samples
Authors: Sabir Khan, Sajjad Hussain, Ademar Wong, Maria Del Pilar Taboada Sotomayor
Abstract:
The present work aims to develop magnetic molecularly imprinted polymers (MMIPs) for determination of a selected pesticide (ametryne) using high-performance liquid chromatography (HPLC). Computational simulation can assist the choice of the most suitable monomer for the synthesis of polymers. The (MMIPs) were polymerized at the surface of Fe3O4@SiO2 magnetic nanoparticles (MNPs) using 2-vinylpyradine as functional monomer, ethylene-glycol-dimethacrylate (EGDMA) is a cross-linking agent and 2,2-Azobisisobutyronitrile (AIBN) used as radical initiator. Magnetic non-molecularly imprinted polymer (MNIPs) was also prepared under the same conditions without analyte. The MMIPs were characterized by scanning electron microscopy (SEM), Brunauer, Emmett and Teller (BET) and Fourier transform infrared spectroscopy (FTIR). Pseudo first-order and pseudo second order model were applied to study kinetics of adsorption and it was found that adsorption process followed the pseudo-first-order kinetic model. Adsorption equilibrium data was fitted to Freundlich and Langmuir isotherms and the sorption equilibrium process was well described by Langmuir isotherm mode. The selectivity coefficients (α) of MMIPs for ametryne with respect to atrazine, ciprofloxacin and folic acid were 4.28, 12.32 and 14.53 respectively. The spiked recoveries ranged between 91.33 and 106.80% were obtained. The results showed high affinity and selectivity of MMIPs for pesticide ametryne in the food samples.Keywords: molecularly imprinted polymer, pesticides, magnetic nanoparticles, adsorption
Procedia PDF Downloads 4661059 A Photoemission Study of Dye Molecules Deposited by Electrospray on rutile TiO2 (110)
Authors: Nouf Alharbi, James O'shea
Abstract:
For decades, renewable energy sources have received considerable global interest due to the increase in fossil fuel consumption. The abundant energy produced by sunlight makes dye-sensitised solar cells (DSSCs) a promising alternative compared to conventional silicon and thin film solar cells due to their transparency and tunable colours, which make them suitable for applications such as windows and glass facades. The transfer of an excited electron onto the surface is an important procedure in the DSSC system, so different groups of dye molecules were studied on the rutile TiO2 (110) surface. Currently, the study of organic dyes has become an interest of researchers due to ruthenium being a rare and expensive metal, and metal-free organic dyes have many features, such as high molar extinction coefficients, low manufacturing costs, and ease of structural modification and synthesis. There are, of course, some groups that have developed organic dyes and exhibited lower light-harvesting efficiency ranging between 4% and 8%. Since most dye molecules are complicated or fragile to be deposited by thermal evaporation or sublimation in the ultra-high vacuum (UHV), all dyes (i.e, D5, SC4, and R6) in this study were deposited in situ using the electrospray deposition technique combined with X-ray photoelectron spectroscopy (XPS) as an alternative method to obtain high-quality monolayers of titanium dioxide. These organic molecules adsorbed onto rutile TiO2 (110) are explored by XPS, which can be used to obtain element-specific information on the chemical structure and study bonding and interaction sites on the surface.Keywords: dyes, deposition, electrospray, molecules, organic, rutile, sensitised, XPS
Procedia PDF Downloads 741058 Heavy Metal Contamination of Mining-Impacted Mangrove Sediments and Its Correlation with Vegetation and Sediment Attributes
Authors: Jumel Christian P. Nicha, Severino G. Salmo III
Abstract:
This study investigated the concentration of heavy metals (HM) in mangrove sediments of Lake Uacon, Zambales, Philippines. The relationship among the studied HM (Cr, Ni, Pb, Cu, Cd, Fe) and the mangrove vegetation and sediment characteristics were assessed. Fourteen sampling plots were designated across the lake (10 vegetated and 4 un-vegetated) based on distance from the mining effluents. In each plot, three sediment cores were collected at 20 cm depth. Among the dominant mangrove species recorded were (in order of dominance): Sonneratia alba, Rhizophora stylosa, Avicennia marina, Excoecaria agallocha and Bruguiera gymnorrhiza. Sediment samples were digested with aqua regia, and the HM concentrations were quantified using Atomic Absorption Spectroscopy (AAS). Results showed that HM concentrations were higher in the vegetated plots as compared to the un-vegetated sites. Vegetated sites had high Ni (mean: 881.71 mg/kg) and Cr (mean: 776.36 mg/kg) that exceeded the threshold values (cf. by the United States Environmental Protection Agency; USEPA). Fe, Pb, Cu and Cd had a mean concentration of 2597.92 mg/kg, 40.94 mg/kg, 36.81 mg/kg and 2.22 mg/kg respectively. Vegetation variables were not significantly correlated with HM concentration. However, the HM concentration was significantly correlated with sediment variables particularly pH, redox, particle size, nitrogen, phosphorus, moisture and organic matter contents. The Pollution Load Index (PLI) indicated moderate to high pollution in the lake. Risk assessment and management should be designed in order to mitigate the ecological risk posed by HM. The need of a regular monitoring scheme for lake and mangrove rehabilitation programs and management should be designed.Keywords: heavy metals, mangrove vegetation, mining, Philippines, sediment
Procedia PDF Downloads 1601057 Interaction Evaluation of Silver Ion and Silver Nanoparticles with Dithizone Complexes Using DFT Calculations and NMR Analysis
Authors: W. Nootcharin, S. Sujittra, K. Mayuso, K. Kornphimol, M. Rawiwan
Abstract:
Silver has distinct antibacterial properties and has been used as a component of commercial products with many applications. An increasing number of commercial products cause risks of silver effects for human and environment such as the symptoms of Argyria and the release of silver to the environment. Therefore, the detection of silver in the aquatic environment is important. The colorimetric chemosensor is designed by the basic of ligand interactions with a metal ion, leading to the change of signals for the naked-eyes which are very useful method to this application. Dithizone ligand is considered as one of the effective chelating reagents for metal ions due to its high selectivity and sensitivity of a photochromic reaction for silver as well as the linear backbone of dithizone affords the rotation of various isomeric forms. The present study is focused on the conformation and interaction of silver ion and silver nanoparticles (AgNPs) with dithizone using density functional theory (DFT). The interaction parameters were determined in term of binding energy of complexes and the geometry optimization, frequency of the structures and calculation of binding energies using density functional approaches B3LYP and the 6-31G(d,p) basis set. Moreover, the interaction of silver–dithizone complexes was supported by UV–Vis spectroscopy, FT-IR spectrum that was simulated by using B3LYP/6-31G(d,p) and 1H NMR spectra calculation using B3LYP/6-311+G(2d,p) method compared with the experimental data. The results showed the ion exchange interaction between hydrogen of dithizone and silver atom, with minimized binding energies of silver–dithizone interaction. However, the result of AgNPs in the form of complexes with dithizone. Moreover, the AgNPs-dithizone complexes were confirmed by using transmission electron microscope (TEM). Therefore, the results can be the useful information for determination of complex interaction using the analysis of computer simulations.Keywords: silver nanoparticles, dithizone, DFT, NMR
Procedia PDF Downloads 2071056 Synthesis, Crystal Structure Characterization, Hirshfeld Surface Analysis and Biological Activities of Two Schiff Base Polymorphs Derived From 2-Aminobenzonitrile
Authors: Nesrine Benarous, Hassiba Bougueria, Nabila Moussa Slimane, Aouatef Cherouana
Abstract:
Crystal polymorphism is important for the synthesis of more potent and bioactive pharmaceutical compounds, including their different properties, such as packing arrangement and conformation. In fact, polymorphism plays a vital role in drug development. Different parameters affect the crystallization and give their degree of freedom. Severalproperties affected polymorphism, like kinetics, thermodynamics, spectroscopy, and mechanical property. Various techniques are used for characterizing polymorphs, are crystallography, morphology, phase transitions, molecular motion, and chemical environment. In this work, crystal structures of two polymorphs (I and II) of the Schiff base (SB) title compound were prepared by condensation reaction. The crystal structures of both polymorphs were determined by single X-ray analysis. The two polymorphs crystallize in two different space groups: P21/c for I and Pbca for II. The dihedral angles between the two phenyl rings are 4.81º for I and 82.27º for II. Both crystal structures are built on the basis of moderate and weak hydrogen bonds, 𝜋-stacking, and halogen⋯halogeninteractions. On the other hand, Hirshfeld surface (HS) analysis indicates that the most important contributions to the crystal packing for the two polymorphs are from Cl⋯H/H⋯Cl, H⋯H, and N⋯H/H⋯N contacts. These are followed by C⋯H/H⋯C for compound I and C⋯C and by C⋯H/H⋯C contacts for compound II. Afterwards, the in vitro antibacterial activity revealed that the SB have been found effective against G- bacteria Klebsiella pneumonia andG+ bacteria Staphylococcus aureuswith MIC value of14.37μg/mL. Moreover, the SBexhibited moderate toxicity against Brine Shrimp with LC50 value of 44.19μg/mL.Keywords: polymorph, crystal structure, hirshfeld surface analysis, in vitro antibacterial activity, toxicity
Procedia PDF Downloads 111