Search results for: plant raw materials
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 10039

Search results for: plant raw materials

6259 Performance Evaluation of Sand Casting Manufacturing Plant with WITNESS

Authors: Aniruddha Joshi

Abstract:

This paper discusses a simulation study of automated sand casting production system. Therefore, the first aims of this study is development of automated sand casting process model and analyze this model with a simulation software Witness. Production methodology aims to improve overall productivity through elimination of wastes and that leads to improve quality. Integration of automation with Simulation is beneficial to identify the obstacles in implementation and to take appropriate options to implement successfully. For this integration, there are different Simulation Software’s. To study this integration, with the help of “WITNESS” Simulation Software the model is created. This model is based on literature review. The input parameters are Setup Time, Number of machines, cycle time and output parameter is number of castings, avg, and time and percentage usage of machines. Obtained results are used for Statistical Analysis. This analysis concludes the optimal solution to get maximum output.

Keywords: automated sand casting production system, simulation, WITNESS software, performance evaluation

Procedia PDF Downloads 789
6258 Particle Size Dependent Enhancement of Compressive Strength and Carbonation Efficiency in Steel Slag Cementitious Composites

Authors: Jason Ting Jing Cheng, Lee Foo Wei, Yew Ming Kun, Chin Ren Jie, Yip Chun Chieh

Abstract:

The utilization of industrial by-products, such as steel slag in cementitious materials, not only mitigates environmental impact but also enhances material properties. This study investigates the dual influence of steel slag particle size on the compressive strength and carbonation efficiency of cementitious composites. Through a systematic experimental approach, steel slag particles were incorporated into cement at varying sizes, and the resulting composites were subjected to mechanical and carbonation tests. Scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDX) are conducted in this paper. The findings reveal a positive correlation between increased particle size and compressive strength, attributed to the improved interfacial transition zone and packing density. Conversely, smaller particle sizes exhibited enhanced carbonation efficiency, likely due to the increased surface area facilitating the carbonation reaction. The presence of higher silica and calcium content in finer particles was confirmed by EDX, which contributed to the accelerated carbonation process. This study underscores the importance of particle size optimization in designing sustainable cementitious materials with balanced mechanical performance and carbon sequestration potential. The insights gained from the advanced analytical techniques offer a comprehensive understanding of the mechanisms at play, paving the way for the strategic use of steel slag in eco-friendly construction practices.

Keywords: steel slag, carbonation efficiency, particle size enhancement, compressive strength

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6257 Studies on the Immunostimulatory Effect of Extract of Solanum Trilobatum and Ocimum Sanctum in Mystus Keletius

Authors: Subeena Begum, Navaraj Perumalsamy

Abstract:

The freshwater catfish Mystus keletius was injected with the methanolic extract (water soluble fraction) of Solanum trilobatum and Ocimum sanctum alone and in combination in 3mg, 30mg.300mg/Kg body weight. Serum was collected every 7 days interval. Fishes were fed with normal diet for the entire period of the experiment. The nonspecific immune response such as Total WBC count, phagocytic activity and serum antiprotease activity were observed. They were enhanced (p<0.05) in fish injected with methanolic extract (water soluble fraction) S.trilobatum and O. sanctum alone and in combination than control group. Highest level of WBC count, phagocytic activity and serum antiprotease activity were confirmed when the fish injected with the mixed extract of 1:1 ratio of S.trilobatum and O.sanctum in 30mg/kg (b.w).The effect of mixture of methanolic extract of medicinal plant in M. keletius is highlighted.

Keywords: Immunology, Fish, Stimulatory effect, Medicinal plants

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6256 Geotechnical Properties and Compressibility Behavior of Organic Dredged Soils

Authors: Inci Develioglu, Hasan Firat Pulat

Abstract:

Sustainable development is one of the most important topics in today's world, and it is also an important research topic for geoenvironmental engineering. Dredging process is performed to expand the river and port channel, flood control and accessing harbors. Every year large amount of sediment are dredged for these purposes. Dredged marine soils can be reused as filling materials, road and foundation embankments, construction materials and wildlife habitat developments. In this study, geotechnical engineering properties and compressibility behavior of dredged soil obtained from the Izmir Bay were investigated. The samples with four different organic matter contents were obtained and particle size distributions, consistency limits, pH and specific gravity tests were performed. The consolidation tests were conducted to examine organic matter content (OMC) effects on compressibility behavior of dredged soil. This study has shown that the OMC has an important effect on the engineering properties of dredged soils. The liquid and plastic limits increased with increasing OMC. The lowest specific gravity belonged to sample which has the maximum OMC. The specific gravity values ranged between 2.76 and 2.52. The maximum void ratio difference belongs to sample with the highest OMC (De11% = 0.38). As the organic matter content of the samples increases, the change in the void ratio has also increased. The compression index increases with increasing OMC.

Keywords: compressibility, consolidation, geotechnical properties, organic matter content, dredged soil

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6255 Identification of Target Receptor Compound 10,11-Dihidroerisodin as an Anti-Cancer Candidate

Authors: Srie Rezeki Nur Endah, Richa Mardianingrum

Abstract:

Cancer is one of the most feared diseases and is considered the leading cause of death worldwide. Generally, cancer drugs are synthetic drugs with relatively more expensive prices and have harmful side effects, so many people turn to traditional medicine, for example by utilizing herbal medicine. Erythrina poeppigiana is one of the plants that can be used as a medicinal plant containing 10,11-dihidroerisodin compounds that are useful anticancer etnofarmakologi. The purpose of this study was to identify the target of 10,11 dihydroerisodin receptor compound as in silico anticancer candidate. The pure isolate was tested physicochemically by MS (Mass Spectrometry), UV-Vis (Ultraviolet – Visible), IR (Infra Red), 13C-NMR (Carbon-13 Nuclear Magnetic Resonance), 1H-NMR (Hydrogen-1 Nuclear Magnetic Resonance), to obtain the structure of 10,11-dihydroerisodin alkaloid compound then identified to target receptors in silico. From the results of the study, it was found that 10,11-dihydroerisodin compound can work on the Serine / threonine-protein kinase Chk1 receptor that serves as an anti-cancer candidate.

Keywords: anti-cancer, Erythrina poeppigiana, target receptor, 10, 11- dihidroerisodin

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6254 Broiler Chickens Meat Qualities and Death on Arrival (DOA) In-Transit in Brazilian Tropical Conditions

Authors: Arlan S. Freitas, Leila M. Carvalho, Adriana L. Soares, Arnoud Neto, Marta S. Madruga, Rafael H. Carvalho, Elza I. Ida, Massami Shimokomaki

Abstract:

The objective of this work was to evaluate the influence of microclimatic profile of broiler transport trucks and holding time (340) min under commercial conditions over the breast meat quality and DOA (Dead On Arrival) in a tropical Brazilian regions as the NorthEast. In this particular region routinely the season is divided into dry and wet seasons. Three loads of 4,100 forty seven days old broiler were monitored from farm to slaughterhouse in a distance of 273 km (320 min), morning periods of August, September and October 2015 rainy days. Meat qualities were evaluated by determining the occurrence of PSE (pale, soft, exudative) meat and DFD (dark, firm, dry) meat. The percentage of DOA per loaded truck was determined by counting the dead broiler during the hanging step at the slaughtering plant. Results showed the occurrence of 26.30% of PSE and 2.49% of DFD and 0.45% of DOA. By having PSE- and DFD- meat means that the birds were under thermal and cold stress leading as consequence to a relative high DOA index.

Keywords: animal welfare, DFD, microclimatic profile, PSE

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6253 Designing ZIF67 Derivatives Using Ammonia-Based Fluorine Complex as Structure-Directing Agent for Energy Storage Applications

Authors: Lu-Yin Lin

Abstract:

The morphology of electroactive material is highly related to energy storage ability. Structure-directing agent (SDA) can design electroactive materials with favorable surface properties. Zeolitic imidazolate framework 67 (ZIF67) is one of the potential electroactive materials for energy storage devices. The SDA concept is less applied to designing ZIF67 derivatives in previous studies. An in-situ technique with ammonium fluoride (NH₄F) as SDA is proposed to produce a ZIF67 derivative with highly improved energy storage ability. Attracted by the effective in-situ technique, the NH₄F, ammonium bifluoride (NH₄HF₂), and ammonium tetrafluoroborate (NH₄BF₄) are first used as SDA to synthesize ZIF67 derivatives in one-step solution process as electroactive material of energy storage devices. The mechanisms of forming ZIF67 derivatives synthesized with different SDAs are discussed to explain the SDA effects on physical and electrochemical properties. The largest specific capacitance (CF) of 1527.0 Fg-¹ and the capacity of 296.9 mAhg-¹ are obtained for the ZIF67 derivative prepared using NH₄BF₄ as SDA. The energy storage device composed of the optimal ZIF67 derivative and carbon electrodes presents a maximum energy density of 15.1 Whkg-¹ at the power density of 857 Wkg-¹. The CF retention of 90% and Coulombic efficiency larger than 98% are also obtained after 5000 cycles.

Keywords: ammonium bifluoride, ammonium tetrafluoroborate, energy storage device, one-step solution process, structure-directing agent, zeolitic imidazolate framework 67

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6252 Fluorescence Effect of Carbon Dots Modified with Silver Nanoparticles

Authors: Anna Piasek, Anna Szymkiewicz, Gabriela Wiktor, Jolanta Pulit-Prociak, Marcin Banach

Abstract:

Carbon dots (CDs) have great potential for application in many fields of science. They are characterized by fluorescent properties that can be manipulated. The nanomaterial has many advantages in addition to its unique properties. CDs may be obtained easily, and they undergo surface functionalization in a simple way. In addition, there is a wide range of raw materials that can be used for their synthesis. An interesting possibility is the use of numerous waste materials of natural origin. In the research presented here, the synthesis of CDs was carried out according to the principles of Green chemistry. Beet molasses was used as a natural raw material. It has a high sugar content. This makes it an excellent high-carbon precursor for obtaining CDs. To increase the fluorescence effect, we modified the surface of CDs with silver (Ag-CDs) nanoparticles. The process of obtaining CQD was based on the hydrothermal method by applying microwave radiation. Silver nanoparticles were formed via the chemical reduction method. The synthesis plans were performed on the Design of the Experimental method (DoE). Variable process parameters such as concentration of beet molasses, temperature and concentration of nanosilver were used in these syntheses. They affected the obtained properties and particle parameters. The Ag-CDs were analyzed by UV-vis spectroscopy. The fluorescence properties and selection of the appropriate excitation light wavelength were performed by spectrofluorimetry. Particle sizes were checked using the DLS method. The influence of the input parameters on the obtained results was also studied.

Keywords: fluorescence, modification, nanosilver, molasses, Green chemistry, carbon dots

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6251 Hybrid Finite Element Analysis of Expansion Joints for Piping Systems in Aircraft Engine External Configurations and Nuclear Power Plants

Authors: Dong Wook Lee

Abstract:

This paper presents a method to analyze the stiffness of the expansion joint with structural support using a hybrid method combining computational and analytical methods. Many expansion joints found in tubes and ducts of mechanical structures are designed to absorb thermal expansion mismatch between their structural members and deal with misalignments introduced from the assembly/manufacturing processes. One of the important design perspectives is the system’s vibrational characteristics. We calculate the stiffness as a characterization parameter for structural joint systems using a combined Finite Element Analysis (FEA) and an analytical method. We apply the methods to two sample applications: external configurations of aircraft engines and nuclear power plant structures.

Keywords: expansion joint, expansion joint stiffness, finite element analysis, nuclear power plants, aircraft engine external configurations

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6250 Environmental Effects on Coconut Coir Fiber Epoxy Composites Having TiO₂ as Filler

Authors: Srikanth Korla, Mahesh Sharnangat

Abstract:

Composite materials are being widely used in Aerospace, Naval, Defence and other branches of engineering applications. Studies on natural fibers is another emerging research area as they are available in abundance, and also due to their eco-friendly in nature. India being one of the major producer of coir, there is always a scope to study the possibilities of exploring coir as reinforment, and with different combinations of other elements of the composite. In present investigation effort is made to utilize properties possessed by natural fiber and make them enable with polymer/epoxy resin. In natural fiber coconut coir is used as reinforcement fiber in epoxy resin with varying weight percentages of fiber and filler material. Titanium dioxide powder (TiO2) is used as filler material with varying weight percentage including 0%, 2% and 4% are considered for experimentation. Environmental effects on the performance of the composite plate are also studied and presented in this project work; Moisture absorption test for composite specimens is conducted using different solvents including Kerosene, Mineral Water and Saline Water, and its absorption capacity is evaluated. Analysis is carried out in different combinations of Coir as fiber and TiO2 as filler material, and the best suitable composite material considering the strength and environmental effects is identified in this work. Therefore, the significant combination of the composite material is with following composition: 2% TiO2 powder 15% of coir fibre and 83% epoxy, under unique mechanical and environmental conditions considered in the work.

Keywords: composite materials, moisture test, filler material, natural fibre composites

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6249 Effect of Slag Application to Soil Chemical Properties and Rice Yield on Acid Sulphate Soils with Different Pyrite Depth

Authors: Richardo Y. E. Sihotang, Atang Sutandi, Joshua Ginting

Abstract:

The expansion of marginal soil such as acid sulphate soils for the development of staple crops, including rice was unavoidable. However, acid sulphate soils were less suitable for rice field due to the low fertility and the threats of pyrite oxidation. An experiment using Randomized Complete Block Design was designed to investigate the effect of slag in stabilizing soil reaction (pH), improving soil fertility and rice yield. Experiments were conducted in two locations with different pyrite depth. The results showed that slag application was able to decrease the exchangeable Al and available iron (Fe) as well as increase the soil pH, available-P, soil exchangeable Ca2+, Mg2+, and K+. Furthermore, the slag application increased the plant nutrient uptakes, particularly N, P, K, followed by the increasing of rice yield significantly. Nutrients availability, nutrient uptake, and rice yield were higher in the shallow pyrite soil instead of the deep pyrite soil. In addition, slag application was economically feasible due to the ability to reduce standard fertilizer requirements.

Keywords: acid sulphate soils, available nutrients, pyrite, slag

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6248 Design and Landscape Architecture in the Vernacular Housing of Algiers

Authors: Leila Chebaiki-Adli, Naima Chabbi-Chemrouk

Abstract:

In the Algiers context, the historical city (the old medina) was in the middle age surrounded by several residencies and gardens. They were built in the aim to spend hot days of the year. Among these later, the residences of AbdelTif and the gardens of the dey (which exist always), benefit from important criteria which increase interior comfort. Their know-how is today in trend and can give us several considerations to the architectural design and to the landscape architecture. Their particularity is seen in the built-garden interactions and the design solutions. These later let the user live with vegetation, sky and water through maximum of places in the constructions. On the basis on an aesthetic-tectonic approach, which make in evidence the architectural criteria of the two quoted cases studies (the AbdelTif residence and the gardens of the dey), we will explain in the proposed paper, some important characteristics and design solutions, which contribute strongly to the concretisation and the materialisation of a landscape architecture, and which can be used in all the Mediterranean area. The proposed aesthetic-tectonic approach is based on the fusion between interior and exterior, in the aim to distinguish syntactic criteria. The syntactic criteria correspond to: The composition and the articulation between interior and exterior spaces, the employed materials in the quoted spaces, the manifestation processes. The major finding of this study is the identification of paradigmatic processes related to the architectural design. These later reveal more figurative (direct) than expressive (no direct) way of design and creativeness. While the figurative way benefits from a high level of manifestation, the expressive one benefits from more composed and articulated materials.

Keywords: aesthetic/tectonic approach, Algiers context, design, landscape architecture

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6247 Outdoor Thermal Comfort Strategies: The Case of Cool Facades

Authors: Noelia L. Alchapar, Cláudia C. Pezzuto, Erica N. Correa

Abstract:

Mitigating urban overheating is key to achieving the environmental and energy sustainability of cities. The management of the optical properties of the materials that make up the urban envelope -roofing, pavement, and facades- constitutes a profitable and effective tool to improve the urban microclimate and rehabilitate urban areas. Each material that makes up the urban envelope has a different capacity to reflect received solar radiation, which alters the fraction of solar radiation absorbed by the city. However, the paradigm of increasing solar reflectance in all areas of the city without distinguishing their relative position within the urban canyon can cause serious problems of overheating and discomfort among its inhabitants. The hypothesis that supports the research postulates that not all reflective technologies that contribute to urban radiative cooling favor the thermal comfort conditions of pedestrians to equal measure. The objective of this work is to determine to what degree the management of the optical properties of the facades modifies outdoor thermal comfort, given that the mitigation potential of materials with high reflectance in facades is strongly conditioned by geographical variables and by the geometric characteristics of the urban profile aspect ratio (H/W). This research was carried out under two climatic contexts, that of the city of Mendoza-Argentina and that of the city of Campinas-Brazil, according to the Köppen climate classification: BWk and Cwa, respectively. Two areas in two different climatic contexts (Mendoza - Argentina and Campinas - Brazil) were selected. Both areas have comparable urban morphology patterns. These areas are located in a region with low horizontal building density and residential zoning. The microclimatic conditions were monitored during the summer period with temperature and humidity fixed sensors inside vial channels. The microclimate model was simulated in ENVI-Met V5. A grid resolution of 3.5 x 3.5 x 3.5m was used for both cities, totaling an area of 145x145x30 grids. Based on the validated theoretical model, ten scenarios were simulated, modifying the height of buildings and the solar reflectivity of facades. The solar reflectivity façades ranges were: low (0.3) and high (0.75). The density scenarios range from 1th to the 5th level. The study scenarios' performance was assessed by comparing the air temperature, physiological equivalent temperature (PET), and thermal climate index (UTCI). As a result, it is observed that the behavior of the materials of the urban outdoor space depends on complex interactions. Many urban environmental factors influence including constructive characteristics, urban morphology, geographic locations, local climate, and so forth. The role of the vertical urban envelope is decisive for the reduction of urban overheating. One of the causes of thermal gain is the multiple reflections within the urban canyon, which affects not only the air temperature but also the pedestrian thermal comfort. One of the main findings of this work leads to the remarkable importance of considering both the urban warming and the thermal comfort aspects of pedestrians in urban mitigation strategies.

Keywords: materials facades, solar reflectivity, thermal comfort, urban cooling

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6246 The Microflora Assessment of the Urethra Area of Children with Newly Diagnosed Type 1 Diabetes

Authors: Ewa Rusak, Sebastian Seget, Aleksandra Mroskowiak, Mirosław Partyka, Ewa Samulska, Julia Strózik, Anna Wilk, Przemysława Jarosz-Chobot

Abstract:

Introduction: Various infections can affect children suffering from Type 1 Diabetes (T1D) because of dysfunctions of the immune system. The urinary tract and urethra of these children can be easily infected areas because of glycosuria. Aim: The microflora assessment of the urethra area of children with newly diagnosed T1D. Methods: The materials of the study were swabs taken prospectively from the urethral area of 63 children at the time of diagnosis of T1D (37 boys), then the results were correlated to the clinical parameters. In the statistical analysis, there were T student, Chi square, and U Mann-Whitney tests used. Results: The mean age was 9.4 years (6 months-17.4 years). The mean HbA1c value was 12.1% (5,6% - 20.1%). The mean value of glycosuria was 4463.2 mg/dl (0 - 9770 mg/dl). Ketoacidosis was diagnosed in 29 children (49%). The following microbial species were isolated in the collected materials: Staphylococcus epidermidis in 18 children (28.6%), Enterococcus faecalis in 17 children (27%), Candida albicans in 15 children (23.8%), coagulase-negative staphylococciin 11 children (17.5%), group B Streptococcus beta-hemolysis in 10 children (15.9%), S. aureus, E. coli, S. anginosus, C. glucuronolyticum, and A. urinae in 7 children each (11.1%), group B Streptococcus beta-hemolysis and S. hominis in 6 children each (9.5%), L. gasseri in 5 children (7.5%), C. dubliniensis in 4 children (6.3) and other, isolated cases. 2 of diagnosed patients were cultured negatively (3.2%). There were statistical correlations between the type of colonisation and patients’ sex and HbA1C value. Conclusions: It is extremely important to examine the urethral area at the time of diagnosis of T1D in order to detect inflammation and to undertake the appropriate and effective intervention.

Keywords: diabetology, skin disorders, microbiology, microflora

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6245 Reorientation of Anisotropic Particles in Free Liquid Microjets

Authors: Mathias Schlenk, Susanne Seibt, Sabine Rosenfeldt, Josef Breu, Stephan Foerster

Abstract:

Thin liquid jets on micrometer scale play an important role in processing such as in fiber fabrication, inkjet printing, but also for sample delivery in modern synchrotron X-ray devices. In all these cases the liquid jets contain solvents and dissolved materials such as polymers, nanoparticles, fibers pigments or proteins. As liquid flow in liquid jets differs significantly from flow in capillaries and microchannels, particle localization and orientation will also be different. This is of critical importance for applications, which depend on well-defined homogeneous particle and fiber distribution and orientation in liquid jets. Investigations of particle orientation in liquid microjets of diluted solutions have been rare, despite their importance. With the arise of micro-focused X-ray beams it has become possible to scan across samples with micrometer resolution to locally analyse structure and orientation of the samples. In the present work, we used this method to scan across liquid microjets to determine the local distribution and orientation of anisotropic particles. The compromise wormlike block copolymer micelles as an example of long flexible fibrous structures, hectorite materials as a model of extended nanosheet structures, and gold nanorods as an illustration of short stiff cylinders to comprise all relevant anisotropic geometries. We find that due to the different velocity profile in the liquid jet, which resembles plug flow, the orientation of the particles which was generated in the capillary is lost or changed into non-oriented or bi-axially orientations depending on the geometrical shape of the particle.

Keywords: anisotropic particles, liquid microjets, reorientation, SAXS

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6244 Hybrid Graphene Based Nanomaterial as Highly Efficient Catalyst for the Electrochemical Determination of Ciprofloxacin

Authors: Tien S. H. Pham, Peter J. Mahon, Aimin Yu

Abstract:

The detection of drug molecules by voltammetry has attracted great interest over the past years. However, many drug molecules exhibit poor electrochemical signals at common electrodes which result in low sensitivity in detection. An efficient way to overcome this problem is to modify electrodes with functional materials. Since discovered in 2004, graphene (or reduced graphene oxide) has emerged as one of the most studied two-dimensional carbon materials in condensed matter physics, electrochemistry, and so on due to its exceptional physicochemical properties. Additionally, the continuous development of technology has opened the new window for the successful fabrications of many novel graphene-based nanomaterials to serve in electrochemical analysis. This research aims to synthesize and characterize gold nanoparticle coated beta-cyclodextrin functionalized reduced graphene oxide (Au NP–β-CD–RGO) nanocomposites with highly conductive and strongly electro-catalytic properties as well as excellent supramolecular recognition abilities for the modification of electrodes. The electrochemical responses of ciprofloxacin at the as-prepared nanocomposite modified electrode was effectively amplified was much higher in comparison with that at the bare electrode. The linear concentration range was from 0.01 to 120 µM, with a detection limit of 2.7 nM using differential pulse voltammetry. Thus, Au NP–β-CD–RGO nanocomposite has great potential as an ideal material to construct sensitive sensors for the electrochemical determination of ciprofloxacin or similar antibacterial drugs in the future based on its excellent stability, selectivity, and reproducibility.

Keywords: Au nanoparticles, β-CD, ciprofloxacin, electrochemical determination, graphene based nanomaterials

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6243 Preparation and Evaluation of Poly(Ethylene Glycol)-B-Poly(Caprolactone) Diblock Copolymers with Zwitterionic End Group for Thermo-Responsive Properties

Authors: Bo Keun Lee, Doo Yeon Kwon, Ji Hoon Park, Gun Hee Lee, Ji Hye Baek, Heung Jae Chun, Young Joo Koh, Moon Suk Kim

Abstract:

Thermo-responsive materials are viscoelastic materials that undergo a sol-to-gel phase transition at a specific temperature and many materials have been developed. MPEG-b-PCL (MPC) as a thermo-responsive material contained hydrophilic and hydrophobic segments and it formed an ordered crystalline structure of hydrophobic PCL segments in aqueous solutions. The ordered crystalline structure packed tightly or aggregated and finally induced an aggregated gel through intra- and inter-molecular interactions as a function of temperature. Thus, we introduced anionic and cationic groups into the end positions of the PCL chain to alter the hydrophobicity of the PCL segment. Introducing anionic and cationic groups into the PCL end position altered their solubility by changing the crystallinity and hydrophobicity of the PCL block domains. These results indicated that the properties of the end group in the hydrophobic PCL blockand the balance between hydrophobicity and hydrophilicity affect thermo-responsivebehavior of the copolymers in aqueous solutions. Thus, we concluded that determinant of the temperature-dependent thermo-responsive behavior of MPC depend on the ionic end group in the PCL block. So, we introduced zwitterionic end groups to investigate the thermo-responsive behavior of MPC. Methoxypoly(ethylene oxide) and ε-caprolactone (CL) were randomly copolymerized that introduced varying hydrophobic PCL lengths and an MPC featuring a zwitterionic sulfobetaine (MPC-ZW) at the chain end of the PCL segment. The MPC and MPC-ZW copolymers were obtained formed sol-state at room temperature when prepared as 20-wt% aqueous solutions. The solubility of MPC decreased when the PCL block was increased from molecular weight. The solubilization time of MPC-2.4k was around 20 min and MPC-2.8k, MPC-3.0k increased to 30 min and 1 h, respectively. MPC-3.6k was not solubilized. In case of MPC-ZW 3.6k, However, the zwitterion-modified MPC copolymers were solubilized in 3–5 min. This result indicates that the zwitterionic end group of the MPC-ZW diblock copolymer increased the aqueous solubility of the diblock copolymer even when the length of the hydrophobic PCL segment was increased. MPC and MPC-ZW diblock copolymers that featuring zwitterionic end groups were synthesized successfully. The sol-to-gel phase-transition was formed that specific temperature depend on the length of the PCL hydrophobic segments introduced and on the zwitterion groups attached to the MPC chain end. This result indicated that the zwitterionic end groups reduced the hydrophobicity in the PCL block and changed the solubilization. The MPC-ZW diblock copolymer can be utilized as a potential injectable drug and cell carrier.

Keywords: thermo-responsive material, zwitterionic, hydrophobic, crystallization, phase transition

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6242 Mandate of Heaven and Serving the People in Chinese Political Rhetoric: An Evolving Discourse System across Three Thousand Years

Authors: Weixiao Wei, Chris Shei

Abstract:

This paper describes Mandate of Heaven as a source of justification for the ruling regime from ancient China approximately three thousand years ago. Initially, the kings of Shang dynasty simply nominated themselves as the sons of Heaven sent to Earth to rule the common people. As the last generation of the kings became corrupted and ruled withbrutal force and crueltywhich directly caused their destruction, the successive kings of Zhou dynasty realised the importance of virtue and the provision of goods to the people. Legitimacy of the ruling regimes became rested not entirely on random allocation of the throne by an unknown supernatural force but on a foundation comprising morality and the ability to provide goods. The latter composite was picked up by the current ruling regime, the Chinese Communist Party, and became the cornerstone of its political legitimacy, also known as ‘performance legitimacy’ where economic development accounts for the satisfaction of the people in place of election and other democratic means of providing legal-rational legitimacy. Under this circumstance, it becomes important as well for the ruling party to use political rhetoric to convince people of the good performance of the government in the economy, morality, and foreign policy. Thus, we see a lot of propaganda materials in both government policy statements and international press conference announcements. The former consists mainly of important speeches made by prominent figures in Party conferences which are not only made publicly available on the government websites but also become obligatory reading materials for university entrance examinations. The later consists of announcements about foreign policies and strategies and actions taken by the government regarding foreign affairsmade in international conferences and offered in Chinese-English bilingual versions on official websites. This documentation strategy creates an impressive image of the Chinese Communist Party that is domestically competent and international strong, taking care of the people it governs in terms of economic needs and defending the country against any foreign interference and global adversities. This political discourse system comprising reading materials fully extractable from government websites also becomes excellent repertoire for teaching and researching in contemporary Chinese language, discourse and rhetoric, Chinese culture and tradition, Chinese political ideology, and Chinese-English translation. This paper aims to provide a detailed and comprehensive description of the current Chinese political discourse system, arguing about its lineage from the rhetorical convention of Mandate of Heaven in ancient China and its current concentration on serving the people in place of election, human rights, and freedom of speech. The paper will also provide guidelines as to how this discourse system and the manifestation of official documents created under this system can become excellent research and teaching materials in applied linguistics.

Keywords: mandate of heaven, Chinese communist party, performance legitimacy, serving the people, political discourse

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6241 Characterization of (GRAS37) Gibberellin Acid Insensitive (GAI), Repressor (RGA), and Scarecrow (SCR) Gene by Using Bioinformatics Tools

Authors: Yusra Tariq

Abstract:

The Grass 37 gene is presently known in tomatoes, which are the source of healthy substances such as ascorbic acid, polyphenols, carotenoids and nutrients. It has a significant impact on the growth and development of humans. The GRASS 37 gene is a plant Transcription factor group assuming significant parts in various reactions of different Abiotic stresses such as (drought, salinity, thermal stresses, temperature, and bright waves) which could highly affect the growth. Tomatoes are very sensitive to temperature, and their growth or production occurs optimally in a temperature range from 21 C to 29.5 C during the daytime and from 18.5 C to 21 C during the night. This protein acts as a positive regulator of salt stress response and abscisic acid signaling. This study summarizes the structure characterized by molecular formula and protein-binding domains by different bioinformatics tools such as Expasy translate tool, Expasy Portparam, Swiss Prot and Inter Pro Scan, Clustal W tool regulatory procedure of GRASS gene components, also their reactions to both biotic and Abiotic stresses.

Keywords: GRAS37, gene, bioinformatics, tool

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6240 Development of Expanded Perlite-Caprylicacid Composite for Temperature Maintainance in Buildings

Authors: Akhila Konala, Jagadeeswara Reddy Vennapusa, Sujay Chattopadhyay

Abstract:

The energy consumption of humankind is growing day by day due to an increase in the population, industrialization and their needs for living. Fossil fuels are the major source of energy to satisfy energy needs, which are non-renewable energy resources. So, there is a need to develop green resources for energy production and storage. Phase change materials (PCMs) derived from plants (green resources) are well known for their capacity to store the thermal energy as latent heat during their phase change from solid to liquid. This property of PCM could be used for storage of thermal energy. In this study, a composite with fatty acid (caprylic acid; M.P 15°C, Enthalpy 179kJ/kg) as a phase change material and expanded perlite as support porous matrix was prepared through direct impregnation method for thermal energy storage applications. The prepared composite was characterized using Differential scanning calorimetry (DSC), Field Emission Scanning Electron Microscope (FESEM), Thermal Gravimetric Analysis (TGA), and Fourier Transform Infrared (FTIR) spectrometer. The melting point of the prepared composite was 15.65°C, and the melting enthalpy was 82kJ/kg. The surface nature of the perlite was observed through FESEM. It was observed that there are micro size pores in the perlite surface, which were responsible for the absorption of PCM into perlite. In TGA thermogram, the PCM loss from composite was started at ~90°C. FTIR curves proved there was no chemical interaction between the perlite and caprylic acid. So, the PCM composite prepared in this work could be effective to use in temperature maintenance of buildings.

Keywords: caprylic acid, composite, phase change materials, PCM, perlite, thermal energy

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6239 Development of Mesoporous Gel Based Nonwoven Structure for Thermal Barrier Application

Authors: R. P. Naik, A. K. Rakshit

Abstract:

In recent years, with the rapid development in science and technology, people have increasing requirements on uses of clothing for new functions, which contributes to opportunities for further development and incorporation of new technologies along with novel materials. In this context, textiles are of fast decalescence or fast heat radiation media as per as comfort accountability of textile articles are concern. The microstructure and texture of textiles play a vital role in determining the heat-moisture comfort level of the human body because clothing serves as a barrier to the outside environment and a transporter of heat and moisture from the body to the surrounding environment to keep thermal balance between body heat produced and body heat loss. The main bottleneck which is associated with textile materials to be successful as thermal insulation materials can be enumerated as; firstly, high loft or bulkiness of material so as to provide predetermined amount of insulation by ensuring sufficient trapping of air. Secondly, the insulation depends on forced convection; such convective heat loss cannot be prevented by textile material. Third is that the textile alone cannot reach the level of thermal conductivity lower than 0.025 W/ m.k of air. Perhaps, nano-fibers can do so, but still, mass production and cost-effectiveness is a problem. Finally, such high loft materials for thermal insulation becomes heavier and uneasy to manage especially when required to carry over a body. The proposed works aim at developing lightweight effective thermal insulation textiles in combination with nanoporous silica-gel which provides the fundamental basis for the optimization of material properties to achieve good performance of the clothing system. This flexible nonwoven silica-gel composites fabric in intact monolith was successfully developed by reinforcing SiO2-gel in thermal bonded nonwoven fabric via sol-gel processing. Ambient Pressure Drying method is opted for silica gel preparation for cost-effective manufacturing. The formed structure of the nonwoven / SiO₂ -gel composites were analyzed, and the transfer properties were measured. The effects of structure and fibre on the thermal properties of the SiO₂-gel composites were evaluated. Samples are then tested against untreated samples of same GSM in order to study the effect of SiO₂-gel application on various properties of nonwoven fabric. The nonwoven fabric composites reinforced with aerogel showed intact monolith structure were also analyzed for their surface structure, functional group present, microscopic images. Developed product reveals a significant reduction in pores' size and air permeability than the conventional nonwoven fabric. Composite made from polyester fibre with lower GSM shows lowest thermal conductivity. Results obtained were statistically analyzed by using STATISTICA-6 software for their level of significance. Univariate tests of significance for various parameters are practiced which gives the P value for analyzing significance level along with that regression summary for dependent variable are also studied to obtain correlation coefficient.

Keywords: silica-gel, heat insulation, nonwoven fabric, thermal barrier clothing

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6238 Effect of Hydraulic Residence Time on Aromatic Petrochemical Wastewater Treatment Using Pilot-Scale Submerged Membrane Bioreactor

Authors: Fatemeh Yousefi, Narges Fallah, Mohsen Kian, Mehrzad Pakzadeh

Abstract:

The petrochemical complex releases wastewater, which is rich in organic pollutants and could not be treated easily. Treatment of the wastewater from a petrochemical industry has been investigated using a submerged membrane bioreactor (MBR). For this purpose, a pilot-scale submerged MBR with a flat-sheet ultrafiltration membrane was used for treatment of petrochemical wastewater according to Bandar Imam Petrochemical complex (BIPC) Aromatic plant. The testing system ran continuously (24-h) over 6 months. Trials on different membrane fluxes and hydraulic retention time (HRT) were conducted and the performance evaluation of the system was done. During the 167 days operation of the MBR at hydraulic retention time (HRT) of 18, 12, 6, and 3 and at an infinite sludge retention time (SRT), the MBR effluent quality consistently met the requirement for discharge to the environment. A fluxes of 6.51 and 13.02 L m-2 h-1 (LMH) was sustainable and HRT of 6 and 12 h corresponding to these fluxes were applicable. Membrane permeability could be fully recovered after cleaning. In addition, there was no foaming issue in the process. It was concluded that it was feasible to treat the wastewater using submersed MBR technology.

Keywords: membrane bioreactor (MBR), petrochemical wastewater, COD removal, biological treatment

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6237 A Corpus-Based Analysis of Japanese Learners' English Modal Auxiliary Verb Usage in Writing

Authors: S. Nakayama

Abstract:

For non-native English speakers, using English modal auxiliary verbs appropriately can be among the most challenging tasks. This research sought to identify differences in modal verb usage between Japanese non-native English speakers (JNNS) and native speakers (NS) from two different perspectives: frequency of use and distribution of verb phrase structures (VPS) where modal verbs occur. This study can contribute to the identification of JNNSs' interlanguage with regard to modal verbs; the main aim is to make a suggestion for the improvement of teaching materials as well as to help language teachers to be able to teach modal verbs in a way that is helpful for learners. To address the primary question in this study, usage of nine central modals (‘can’, ‘could’, ‘may’, ‘might’, ‘shall’, ‘should’, ‘will’, ‘would’, and ‘must’) by JNNS was compared with that by NSs in the International Corpus Network of Asian Learners of English (ICNALE). This corpus is one of the largest freely-available corpora focusing on Asian English learners’ language use. The ICNALE corpus consists of four modules: ‘Spoken Monologue’, ‘Spoken Dialogue’, ‘Written Essays’, and ‘Edited Essays’. Among these, this research adopted the ‘Written Essays’ module only, which is the set of 200-300 word essays and contains approximately 1.3 million words in total. Frequency analysis revealed gaps as well as similarities in frequency order. Specifically, both JNNSs and NSs used ‘can’ with the most frequency, followed by ‘should’ and ‘will’; however, usage of all the other modals except for ‘shall’ was not identical to each other. A log-likelihood test uncovered JNNSs’ overuse of ‘can’ and ‘must’ as well as their underuse of ‘will’ and ‘would’. VPS analysis revealed that JNNSs used modal verbs in a relatively narrow range of VPSs as compared to NSs. Results showed that JNNSs used most of the modals with bare infinitives or the passive voice only whereas NSs used the modals in a wide range of VPSs including the progressive construction and the perfect aspect, both of which were the structures where JNNSs rarely used the modals. Results of frequency analysis suggest that language teachers or teaching materials should explain other modality items so that learners can avoid relying heavily on certain modals and have a wide range of lexical items to reflect their feelings more accurately. Besides, the underused modals should be more stressed in the classroom because they are members of epistemic modals, which allow us to not only interject our views into propositions but also build a relationship with readers. As for VPSs, teaching materials should present more examples of the modals occurring in a wide range of VPSs to help learners to be able to express their opinions from a variety of viewpoints.

Keywords: corpus linguistics, Japanese learners of English, modal auxiliary verbs, International Corpus Network of Asian Learners of English

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6236 Effect of Fertilization and Combined Inoculation with Azospirillum brasilense and Pseudomonas fluorescens on Rhizosphere Microbial Communities of Avena sativa (Oats) and Secale Cereale (Rye) Grown as Cover Crops

Authors: Jhovana Silvia Escobar Ortega, Ines Eugenia Garcia De Salamone

Abstract:

Cover crops are an agri-technological alternative to improve all properties of soils. Cover crops such as oats and rye could be used to reduce erosion and favor system sustainability when they are grown in the same agricultural cycle of the soybean crop. This crop is very profitable but its low contribution of easily decomposable residues, due to its low C/N ratio, leaves the soil exposed to erosive action and raises the need to reduce its monoculture. Furthermore, inoculation with the plant growth promoting rhizobacteria contributes to the implementation, development and production of several cereal crops. However, there is little information on its effects on forage crops which are often used as cover crops to improve soil quality. In order to evaluate the effect of combined inoculation with Azospirillum brasilense and Pseudomonas fluorescens on rhizosphere microbial communities, field experiments were conducted in the west of Buenos Aires province, Argentina, with a split-split plot randomized complete block factorial design with three replicates. The factors were: type of cover crop, inoculation and fertilization. In the main plot two levels of fertilization 0 and 7 40-0-5 (NPKS) were established at sowing. Rye (Secale cereale cultivar Quehué) and oats (Avena sativa var Aurora.) were sown in the subplots. In the sub-subplots two inoculation treatments are applied without and with application of a combined inoculant with A. brasilense and P. fluorescens. Due to the growth of cover crops has to be stopped usually with the herbicide glyphosate, rhizosphere soil of 0-20 and 20-40 cm layers was sampled at three sampling times which were: before glyphosate application (BG), a month after glyphosate application (AG) and at soybean harvest (SH). Community level of physiological profiles (CLPP) and Shannon index of microbial diversity (H) were obtained by multivariate analysis of Principal Components. Also, the most probable number (MPN) of nitrifiers and cellulolytics were determined using selective liquid media for each functional group. The CLPP of rhizosphere microbial communities showed significant differences between sampling times. There was not interaction between sampling times and both, types of cover crops and inoculation. Rhizosphere microbial communities of samples obtained BG had different CLPP with respect to the samples obtained in the sampling times AG and SH. Fertilizer and depth of sampling also caused changes in the CLPP. The H diversity index of rhizosphere microbial communities of rye in the sampling time BG were higher than those associated with oats. The MPN of both microbial functional types was lower in the deeper layer since these microorganisms are mostly aerobic. The MPN of nitrifiers decreased in rhizosphere of both cover crops only AG. At the sampling time BG, the NMP of both microbial types were larger than those obtained for AG and SH. This may mean that the glyphosate application could cause fairly permanent changes in these microbial communities which can be considered bio-indicators of soil quality. Inoculation and fertilizer inputs could be included to improve management of these cover crops because they can have a significant positive effect on the sustainability of the agro-ecosystem.

Keywords: community level of physiological profiles, microbial diversity, plant growth promoting rhizobacteria, rhizosphere microbial communities, soil quality, system sustainability

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6235 Enhancing Greenhouse Productivity and Energy Efficiency Through UV-IR Reflective Coatings and Dust Mitigation: A Case Study in Saudi Arabia

Authors: Tayirjan Taylor Isimjan, Essam Jamea, Muien Qaryouti

Abstract:

The demand for efficient greenhouse production is escalating, necessitating continuous improvements in controlled plant growth environments. Central to maximizing growth are critical light-related factors, including quantity, quality, and geometric distribution of intercepted radiation. This becomes particularly crucial in regions like the Middle East, characterized by high solar radiation and dusty atmospheric conditions. Existing greenhouse technologies often rely on additional expensive equipment to manage light conditions effectively. In this study, we propose a distinct approach employing functional coatings to mitigate dust and block UV and IR radiation, thereby conserving energy and enhancing productivity. By combining UV-IR reflective coatings with dust mitigation strategies, we aim to address both environmental challenges and energy consumption issues faced by greenhouse agriculture in Saudi Arabia.

Keywords: greenhouse, UV-IR reflective coatings, dust mitigation, energy efficiency, productivity

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6234 Chemopreventive Efficacy of Andrographolide in Rat Colon Carcinogenesis Model Using Aberrant Crypt Foci (ACF) as Endpoint Marker

Authors: Maryam Hajrezaie, Mahmood Ameen Abdulla, Nazia Abdul Majid, Hapipa Mohd Ali, Pouya Hassandarvish, Maryam Zahedi Fard

Abstract:

Background: Colon cancer is one of the most prevalent cancers in the world and is the third leading cause of death among cancers in both males and females. The incidence of colon cancer is ranked fourth among all cancers but varies in different parts of the world. Cancer chemoprevention is defined as the use of natural or synthetic compounds capable of inducing biological mechanisms necessary to preserve genomic fidelity. Andrographolide is the major labdane diterpenoidal constituent of the plant Andrographis paniculata (family Acanthaceae), used extensively in the traditional medicine. Extracts of the plant and their constituents are reported to exhibit a wide spectrum of biological activities of therapeutic importance. Laboratory animal model studies have provided evidence that Andrographolide play a role in inhibiting the risk of certain cancers. Objective: Our aim was to evaluate the chemopreventive efficacy of the Andrographolide in the AOM induced rat model. Methods: To evaluate inhibitory properties of andrographolide on colonic aberrant crypt foci (ACF), five groups of 7-week-old male rats were used. Group 1 (control group) were fed with 10% Tween 20 once a day, Group 2 (cancer control) rats were intra-peritoneally injected with 15 mg/kg Azoxymethan, Gropu 3 (drug control) rats were injected with 15 mg/kg azoxymethan and 5-Flourouracil, Group 4 and 5 (experimental groups) were fed with 10 and 20 mg/kg andrographolide each once a day. After 1 week, the treatment group rats received subcutaneous injections of azoxymethane, 15 mg/kg body weight, once weekly for 2 weeks. Control rats were continued on Tween 20 feeding once a day and experimental groups 10 and 20 mg/kg andrographolide feeding once a day for 8 weeks. All rats were sacrificed 8 weeks after the azoxymethane treatment. Colons were evaluated grossly and histopathologically for ACF. Results: Administration of 10 mg/kg and 20 mg/kg andrographolide were found to be effectively chemoprotective, as evidenced microscopily and biochemically. Andrographolide suppressed total colonic ACF formation up to 40% to 60%, respectively, when compared with control group. Pre-treatment with andrographolide, significantly reduced the impact of AOM toxicity on plasma protein and urea levels as well as on plasma aspartate aminotransferase (AST), alanine aminotransferase (ALT), lactate dehydrogenase (LDH) and gamma-glutamyl transpeptidase (GGT) activities. Grossly, colorectal specimens revealed that andrographolide treatments decreased the mean score of number of crypts in AOM-treated rats. Importantly, rats fed andrographolide showed 75% inhibition of foci containing four or more aberrant crypts. The results also showed a significant increase in glutathione (GSH), superoxide dismutase (SOD), nitric oxide (NO), and Prostaglandin E2 (PGE2) activities and a decrease in malondialdehyde (MDA) level. Histologically all treatment groups showed a significant decrease of dysplasia as compared to control group. Immunohistochemical staining showed up-regulation of Hsp70 and down-regulation of Bax proteins. Conclusion: The current study demonstrated that Andrographolide reduce the number of ACF. According to these data, Andrographolide might be a promising chemoprotective activity, in a model of AOM-induced in ACF.

Keywords: chemopreventive, andrographolide, colon cancer, aberrant crypt foci (ACF)

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6233 The Effect of Salinity and Bentonite on the Hydrous Behaviors and Sodium Content of the Broad Bean Vicia faba var. Semilla violeta

Authors: T. Nouri, Y. H. A. Reguieg, A. Latigui, A. Ouaini

Abstract:

Salinity is considered as the most important abiotic factor. It limits growth and productivity of plants and degrades agricultural soils and ecosystem in arid and semi arid area. The study was conducted on Vicia faba L.’Semilla violeta’. Sowing was realized in plastic pots containing sandy substrates of bentonite 0, 3, 5, 7, and 10% associated with abiotic stresses of salinity corresponding to doses of NaCl, MgCl2 and MgSO4 20, 40, and 60 mmol/l respectively. The purpose of this work is to study the combined effect of salinity and of bentonite on a plant commonly cultivated in Algeria the broad bean Vicia faba has through the chemical and hydrous parameter. The results show that the combined action of strong concentration salt (40 and 60 mmol/l) and of bentonite a reduction of the relative content water reveals, against an increase in the content of hydrous deficit and of sodium. The growth of broad bean is significant in the substrate amended to 5 % of bentonite.

Keywords: salinity, bentonite, Vicia faba L, sodium content, hydrous parameters

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6232 Considerations upon Structural Health Monitoring of Small to Medium Wind Turbines

Authors: Nicolae Constantin, Ştefan Sorohan

Abstract:

The small and medium wind turbines are running in quite different conditions as compared to the big ones. Consequently, they need also a different approach concerning the structural health monitoring (SHM) issues. There are four main differences between the above mentioned categories: (i) significantly smaller dimensions, (ii) considerably higher rotation speed, (iii) generally small distance between the turbine and the energy consumer and (iv) monitoring assumed in many situations by the owner. In such conditions, nondestructive inspections (NDI) have to be made as much as possible with affordable, yet effective techniques, requiring portable and accessible equipment. Additionally, the turbines and accessories should be easy to mount, dispose and repair. As the materials used for such unit can be metals, composites and combined, the technologies should be adapted accordingly. An example in which the two materials co-exist is the situation in which the damaged metallic skin of a blade is repaired with a composite patch. The paper presents the inspection of the bonding state of the patch, using portable ultrasonic equipment, able to put in place the Lamb wave method, which proves efficient in global and local inspections as well. The equipment is relatively easy to handle and can be borrowed from specialized laboratories or used by a community of small wind turbine users, upon the case. This evaluation is the first in a row, aimed to evaluate efficiency of NDI performed with rather accessible, less sophisticated equipment and related inspection techniques, having field inspection capabilities. The main goal is to extend such inspection procedures to other components of the wind power unit, such as the support tower, water storage tanks, etc.

Keywords: structural health monitoring, small wind turbines, non-destructive inspection, field inspection capabilities

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6231 Detection and Classification of Rubber Tree Leaf Diseases Using Machine Learning

Authors: Kavyadevi N., Kaviya G., Gowsalya P., Janani M., Mohanraj S.

Abstract:

Hevea brasiliensis, also known as the rubber tree, is one of the foremost assets of crops in the world. One of the most significant advantages of the Rubber Plant in terms of air oxygenation is its capacity to reduce the likelihood of an individual developing respiratory allergies like asthma. To construct such a system that can properly identify crop diseases and pests and then create a database of insecticides for each pest and disease, we must first give treatment for the illness that has been detected. We shall primarily examine three major leaf diseases since they are economically deficient in this article, which is Bird's eye spot, algal spot and powdery mildew. And the recommended work focuses on disease identification on rubber tree leaves. It will be accomplished by employing one of the superior algorithms. Input, Preprocessing, Image Segmentation, Extraction Feature, and Classification will be followed by the processing technique. We will use time-consuming procedures that they use to detect the sickness. As a consequence, the main ailments, underlying causes, and signs and symptoms of diseases that harm the rubber tree are covered in this study.

Keywords: image processing, python, convolution neural network (CNN), machine learning

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6230 Vibrational Spectra and Nonlinear Optical Investigations of a Chalcone Derivative (2e)-3-[4-(Methylsulfanyl) Phenyl]-1-(3-Bromophenyl) Prop-2-En-1-One

Authors: Amit Kumar, Archana Gupta, Poonam Tandon, E. D. D’Silva

Abstract:

Nonlinear optical (NLO) materials are the key materials for the fast processing of information and optical data storage applications. In the last decade, materials showing nonlinear optical properties have been the object of increasing attention by both experimental and computational points of view. Chalcones are one of the most important classes of cross conjugated NLO chromophores that are reported to exhibit good SHG efficiency, ultra fast optical nonlinearities and are easily crystallizable. The basic structure of chalcones is based on the π-conjugated system in which two aromatic rings are connected by a three-carbon α, β-unsaturated carbonyl system. Due to the overlap of π orbitals, delocalization of electronic charge distribution leads to a high mobility of the electron density. On a molecular scale, the extent of charge transfer across the NLO chromophore determines the level of SHG output. Hence, the functionalization of both ends of the π-bond system with appropriate electron donor and acceptor groups can enhance the asymmetric electronic distribution in either or both ground and excited states, leading to an increased optical nonlinearity. In this research, the experimental and theoretical study on the structure and vibrations of (2E)-3-[4-(methylsulfanyl) phenyl]-1-(3-bromophenyl) prop-2-en-1-one (3Br4MSP) is presented. The FT-IR and FT-Raman spectra of the NLO material in the solid phase have been recorded. Density functional theory (DFT) calculations at B3LYP with 6-311++G(d,p) basis set were carried out to study the equilibrium geometry, vibrational wavenumbers, infrared absorbance and Raman scattering activities. The interpretation of vibrational features (normal mode assignments, for instance) has an invaluable aid from DFT calculations that provide a quantum-mechanical description of the electronic energies and forces involved. Perturbation theory allows one to obtain the vibrational normal modes by estimating the derivatives of the Kohn−Sham energy with respect to atomic displacements. The molecular hyperpolarizability β plays a chief role in the NLO properties, and a systematical study on β has been carried out. Furthermore, the first order hyperpolarizability (β) and the related properties such as dipole moment (μ) and polarizability (α) of the title molecule are evaluated by Finite Field (FF) approach. The electronic α and β of the studied molecule are 41.907×10-24 and 79.035×10-24 e.s.u. respectively, indicating that 3Br4MSP can be used as a good nonlinear optical material.

Keywords: DFT, MEP, NLO, vibrational spectra

Procedia PDF Downloads 221