Search results for: quantum chemical investigation

Authors: Varun Mittal, Shishir Sinha

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The present experimental study focused on the hardness behavior of bagasse fiber-epoxy composites. The relationship between bagasse fiber content and effect of chemical treatment on bagasse fiber as a function of Brinell hardness of bagasse fiber epoxy was investigated. Bagasse fiber was treated with sodium hydroxide followed by acrylic acid before they were reinforced with epoxy resin. Compared hardness properties with the untreated bagasse filled epoxy composites. It was observed that Brinell hardness increased up to 15 wt% fiber content and further decreases, however, chemical treatment also improved the hardness properties of composites.

Keywords: bagasse fiber, composite, hardness, sodium hydroxide

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Authors: Ali Mirtaghavi, Andy Baldwin, Rajendarn Muthuraj, Jack Luo

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Recent advances in biomaterials have led to utilizing biopolymers to develop 3D scaffolds in tissue regeneration. One of the major challenges of designing biomaterials for 3D scaffolds is to mimic the building blocks similar to the extracellular matrix (ECM) of the native tissues. Biopolymer based aerogels obtained by freeze-drying have shown to provide structural similarities to the ECM owing to their 3D format and a highly porous structure with interconnected pores, similar to the ECM. Gelatin (GEL) is known to be a promising biomaterial with inherent regenerative characteristics owing to its chemical similarities to the ECM in native tissue, biocompatibility abundance, cost-effectiveness and accessible functional groups, which makes it facile for chemical modifications with other biomaterials to form biocomposites. Despite such advantages, gelatin offers poor mechanical properties, sensitive enzymatic degradation and high viscosity at room temperature which limits its application and encourages its use to develop biocomposites. Hydrophilic biomass-based cellulose nanofibrous (CNF) has been explored to use as suspension for biocomposite aerogels for the development of 3D porous structures with excellent mechanical properties, biocompatibility and slow enzymatic degradation. In this work, CNF biocomposite aerogels with various ratios of CNF:GEL) (90:10, 70:30 and 50:50) were prepared by freeze-drying technique, and their properties were investigated in terms of physicochemical, mechanical and biological characteristics. Epichlorohydrin (EPH) was used to investigate the effect of chemical crosslinking on the molecular interaction of CNF: GEL, and its effects on physicochemical, mechanical and biological properties of the biocomposite aerogels. Ultimately, chemical crosslinking helped to improve the mechanical resilience of the resulting aerogels. Amongst all the CNF-GEL composites, the crosslinked CNF: GEL (70:30) biocomposite was found to be favourable for cell attachment and viability. It possessed highly porous structure (porosity of ~93%) with pore sizes ranging from 16-110 µm, adequate mechanical properties (compression modulus of ~47 kPa) and optimal biocompatibility both in-vitro and in-vivo, as well as controlled enzymatic biodegradation, high water penetration, which could be considered a suitable option for wound healing application. In-vivo experiments showed improvement on inflammation and foreign giant body cell reaction for the crosslinked CNF: GEL (70:30) compared to the other samples. This could be due to the superior interaction of CNF with gelatin through chemical crosslinking, resulting in more optimal in-vivo improvement. In-vitro cell culture investigation on human dermal fibroblasts showed satisfactory 3D cell attachment over time. Overall, it has been observed that the developed CNF: GEL aerogel can be considered as a potential scaffold for soft tissue regeneration application.

Keywords: 3D scaffolds, aerogels, Biocomposites , tissue engineering

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Authors: Nidhi Gupta, Omita Nanda, Rakhi Grover, Kanchan Saxena

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Hybrid perovskite is new class of material which has gained much attention due to their different crystal structure and interesting optical and electrical properties. Easy fabrication, high absorption coefficient, and photoluminescence properties make them a strong candidate for various applications such as sensors, photovoltaics, photodetectors, etc. In perovskites, ions arrange themselves in a special type of crystal structure with chemical formula ABX3, where A is organic species like CH3NH3+, B is metal ion (e.g., Pb, Sn, etc.) and X is halide (Cl-, Br-, I-). In crystal structure, A is present at corner position, B at center of the crystal lattice and halide ions at the face centers. High stability and sensitivity of nanostructured perovskite make them suitable for chemical sensors. Researchers have studied sensing properties of perovskites for number of analytes such as 2,4,6-trinitrophenol, ethanol and other hazardous chemical compounds. Ammonia being highly toxic agent makes it a reason of concern for the environment. Thus the detection of ammonia is extremely important. Our present investigation deals with organic inorganic hybrid perovskite based ammonia sensor. Various methods like sol-gel, solid state synthesis, thermal vapor deposition etc can be used to synthesize Different hybrid perovskites. In the present work, a novel hybrid perovskite has been synthesized by a single step method. Ethylenediammnedihalide and lead halide were used as precursor. Formation of hybrid perovskite was confirmed by FT-IR and XRD. Morphological characterization of the synthesized material was performed using scanning electron microscopy (SEM). SEM analysis revealed the formation of one dimensional nanowire perovskite with mean diameter of 200 nm. Measurements for sensing properties of halide perovskite for ammonia vapor were carried out. Perovskite thin films showed a color change from yellow to orange on exposure of ammonia vapor. Electro-optical measurements show that sensor based on lead halide perovskite has high sensitivity towards ammonia with effective selectivity and reversibility. Sensor exhibited rapid response time of less than 20 seconds.

Keywords: hybrid perovskite, ammonia, sensor, nanostructure, thin film

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Authors: Mehrnaz Mostafavi

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The current research aims to explore a method for creating nano-ring structures through chemical reduction. By employing a direct reduction process at a controlled, slow pace, and concurrently introducing specific reduction agents, the goal is to fabricate these unique nano-ring formations. The deliberate slow reduction of nanoparticles within this process helps prevent spatial hindrances caused by the reduction agents. The timing of the reduction of metal atoms, facilitated by these agents, emerges as a crucial factor influencing the creation of nano-ring structures. In investigation involves a chemical approach utilizing bovine serum albumin and human serum albumin as organic reducing agents to produce gold nano-rings. The controlled reduction of metal atoms at a slow pace and under specific pH conditions plays a pivotal role in the successful fabrication of these nanostructures. Optical spectroscopic analyses revealed distinctive plasmonic behavior in both visible and infrared spectra, owing to the collective movement of electrons along the inner and outer walls of the gold nano-rings. Importantly, these ring-shaped nanoparticles exhibit customizable plasmon resonances in the near-infrared spectrum, a characteristic absent in solid particles of similar sizes. This unique attribute makes the generated samples valuable for applications in Nanomedicine and Nanobiotechnology, leveraging the distinct optical properties of these nanostructures.

Keywords: nano-ring structure, nano-particles, reductant agents, plasmon resonace

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Authors: Wanthani Paengsri, Thanyarat Chuesaard, Napapha Promsawan

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Spilanthes acmella Murr. was extracted with methanol, yielding methanol crude extract 5.86 %w/w. This study aimed to examine the chemical composition and antioxidant activity of methanolic crude extract. The chemical composition of methanolic crude extract was analyzed by gas chromatography-mass spectrometry (GC-MS). The predominant components were found to be palmitic acid (40.08%), 2-hexadecanoyl glycerol (6.96%) and octadecanoic acid (4.06%). Antioxidant activity was determined using 2,2-diphenyl-1-picryl hydrazyl (DPPH) free radical, for evaluating free radicle scavenging activity. The methanolic extract at 150 µg/mL showed an antioxidant activity with high of radical scavenging activity (75.23%).

Keywords: antioxidant activity, GC-MS analysis, Spilanthes, Phak-Kratt Hauwaen

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Authors: Paramjit Mahey, Monica Sharma, Jasbinder Singh

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Fiber based access networks can deliver performance that can support the increasing demands for high speed connections. One of the new technologies that have emerged in recent years is Passive Optical Networks. This paper is targeted to show the simultaneous delivery of triple play service (data, voice and video). The comparative investigation and suitability of various data rates is presented. It is demonstrated that as we increase the data rate, number of users to be accommodated decreases due to increase in bit error rate.

Keywords: BER, PON, TDMPON, GPON, CWDM, OLT, ONT

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Authors: Mesbah Khaled, Bouraoui Ouissal, Benkiniouar Rachid, Belkhiri Lotfi

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Alstonia, which are tropical plants with a wide geographical distribution, have been divided into different sections by different authors based on previous studies of several species within the genus. Monachino divides Alstonia into 5 sections, while Pichon divides it into 3 sections. Several plants belonging to this genus, such as Alstonia brassii, have been used in traditional folk medicine to treat ailments such as fever, malaria and dysentery]. Previous studies focusing on the chemical composition of these plants have successfully identified indol alkaloids with cytotoxic, anti-diabetic and anti-inflammatory properties. The newly discovered monomers are structurally similar to the backbones of picralin, affinisin and macrolin. On the other hand, all recently isolated dimeric compounds have a macrolin moiety. In this study, a computational analysis was performed on a series of novel molecules, including both monomeric and dimeric compounds with different structural frameworks. This investigation represents the first computational study of these molecules using an in silico approach incorporating 2D-QSAR data. The analysis involved various computational techniques, including 2D-QSAR modelling, molecular docking studies and subsequent validation by molecular dynamics simulation and assessment of ADMET properties. The chemical composition was identified by 1D and 2D NMR. Eight new alkaloids were isolated, 5 monomers and 3 dimers. In this section, we focus on the biological activity of 4 new alkaloids belonging to two different skeletons, the affinisine skeleton.

Keywords: affinisine, talcarpine, macroline, cytotoxicity, alkaloids

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Authors: Mona M. Marzouk, Ahmed Elkhateeb, Mona Elshabrawy, Mai M. Farid, Salwa A. Kawashty, EL-Sayed S. Abdel-Hameed, Sameh R. Hussein

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The genus Farsetia Turra belongs to the family Brassicaceae and has approximately 30 accepted species distributed worldwide. Amongst them, Farsetia aegyptia Turra and Farsetia longisiliqua Decne. are two common species characteristic to the Egyptian flora. The present study considers the first characterization of the chemical constituents of F. longisiliqua, aiming to compare with those identified from the medicinal species (F. aegyptia). Additionally, the chemosystematic relationships between the two studied species were evaluated and highlight the medicinal importance for F. longisiliqua. The chemical profiling of their aqueous methanol extracts were carried out using the LC-ESI-MS technique and afforded 54 compounds belonging to different chemical groups. Flavonoids are the major constituents and are represented by 32 compounds (two C-glycosyl flavone, four flavones, and 26 flavonols). Their structural variations and common constituents confirmed the chemosystematic significance of the two species. Moreover, the flavonoid profiles showed major common constituents between the two investigated species, which predicted the medicinal importance of F. longisiliqua.

Keywords: brassicaceae, chemosystematics, farsetia, flavonoids, glucosinolates, LC-ESI-MS

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Authors: J. P. Gorninski, J. M. L. Reis

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This present work was aimed to develop polymeric mortars having as binder two polyester resins namely isophtalic and orthophtalic polyester. The inorganic phase was composed by medium-size river sand and fly ash fíller, a by-product of the burning of coal in power plants. The compositions in this study are high performance mortars and were assessed by mechanical properties, through compressive strength and flexural strength, by durability strength when exposed to the cyclical variation of temperature from -400C to +300C and by the chemical aggression test. The composites displayed good performance when exposed to cyclical temperature variations and chemical solutions. The mechanical strength values reached the 100 MPa, the flexural strength yielded values of about twenty percent of mechanical strength.

Keywords: polymer mortar, mechanical strength, cyclical temperatures, chemical strength, sustainability

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Authors: Abdul Majid, Alia Jabeen, Nimra Zulifqar

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The inorganic molecular crystal (IMCs) due to their unusual structure has grabbed a lot of attention due to anisotropy in crystal structure. The IMCs consist of the molecular structures joined together via weak forces. Therefore, a difference between the bonding between the inter-cage and intra-cage interactions exists. To look closely at the bonding and interactions, we investigated interactions between two cages of Sb2O3 structure. The interactions were characterized via Extended Transition State-Natural Orbital for Chemical Valence-method (ETS-NOCV), Natural Bond Orbitals (NBO) and Quantum Theory of Atoms in Molecules (QTAIM). The results revealed strong intra-cage covalent bonding while weak van der Waals (vdWs) interactions along inter-cages exits. This structure cannot be termed as layered material although they have anisotropy in bonding and presence of weak vdWs interactions but its bulk is termed as inorganic layered clusters. This is due to the fact that the free standing sheet/films with these materials are not possible. This type of structures may be the most feasible to be used for the system to deal with high pressures and stress bearing materials.

Keywords: inorganic molecular crystals, density functional theory, cages, interactions

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Authors: Ulugbek Azimov, Nearchos Stylianidis, Nobuyuki Kawahara, Eiji Tomita

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A chemical kinetics and computational fluid-dynamics (CFD) analysis was performed to evaluate the combustion of syngas derived from biomass and coke-oven solid feedstock in a micro-pilot ignited supercharged dual-fuel engine under lean conditions. For this analysis, a new reduced syngas chemical kinetics mechanism was constructed and validated by comparing the ignition delay and laminar flame speed data with those obtained from experiments and other detail chemical kinetics mechanisms available in the literature. The reaction sensitivity analysis was conducted for ignition delay at elevated pressures in order to identify important chemical reactions that govern the combustion process. The chemical kinetics of NOx formation was analyzed for H2/CO/CO2/CH4 syngas mixtures by using counter flow burner and premixed laminar flame speed reactor models. The new mechanism showed a very good agreement with experimental measurements and accurately reproduced the effect of pressure, temperature and equivalence ratio on NOx formation. In order to identify the species important for NOx formation, a sensitivity analysis was conducted for pressures 4 bar, 10 bar and 16 bar and preheat temperature 300 K. The results show that the NOx formation is driven mostly by hydrogen based species while other species, such as N2, CO2 and CH4, have also important effects on combustion. Finally, the new mechanism was used in a multidimensional CFD simulation to predict the combustion of syngas in a micro-pilot-ignited supercharged dual-fuel engine and results were compared with experiments. The mechanism showed the closest prediction of the in-cylinder pressure and the rate of heat release (ROHR).

Keywords: syngas, chemical kinetics mechanism, internal combustion engine, NOx formation

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Authors: Md. Sakinul Islam, Nhol Kao, Sati Bhattacharya, Rahul Gupta

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The objective of the study is to produce naocrystalline cellulose (NCC) from rice husk by chemical extraction process. The chemical extraction processes of this production are delignification, bleaching and hydrolysis. In order to produce NCC, raw rice husk (RRH) was grinded and converted to powder form. Powder rice husk was obtained by sieving and the particles in the 75-710 μm size range was used for experimental work. The production of NCC was conducted into the jacketed glass reactor at 80 ˚C temperature under predetermined experimental conditions. In this work NaOH (4M) solution was used for delignification process. After certain experimental time delignified powder RH was collected from the reactor then washed, bleached and finally hydrolyzed in order to degrade cellulose to nanocrystalline cellulose (NCC). For bleaching and hydrolysis processes NaOCl (20%) and H2SO4 (4M) solutions were used, respectively. The resultant products from hydrolysis was neutralized by buffer solution and analyzed by FTIR, XRD, SEM, AFM and TEM. From the analysis, NCC has been identified successfully and the particle dimension has been confirmed to be in the range of 20-50 nm. From XRD results, the crystallinity of NCC was found to be approximately 45%.

Keywords: nanocrystalline cellulose, NCC, rice husk, biomass, chemical extraction

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Authors: Saule Mussabekova

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Forensic investigation of human teeth plays an important role in detection of crime, particularly in cases of personal identification of dead bodies changed by putrefactive processes or skeletonized bodies as well as when finding bodies of unknown persons. 152 teeth have been investigated; 85 of them belonged to men and 67 belonged to women taken from alive people of different age. Teeth have been investigated after extraction. Two types of teeth have been investigated: teeth without integrity violation of dental crown and teeth with different degrees of its violation. Additionally, 517 teeth have been investigated that were collected from dead bodies, 252 of which belonged to women and 265 belonged to men, whatever the cause of death with death limitation from 1 month to 20 years. Isohemagglutinating serums and Coliclons of different series have been used for the research of tooth-group specificity by serological methods according to the AB0 system. Standard protocols of different techniques have been used for DNA purification from teeth (by reagent Chelex 100 produced by Bio-Rad using reagent kit 'DNA IQTM System' produced by Promega company (USA) and using columns 'QIAamp DNA Investigator Kit' produced by Qiagen company). Results of comparative forensic investigation of human teeth using serological and molecular genetic methods have shown that use of serological methods for forensic identification is sensible only in cases of preselection prior to the next molecular genetic investigation as well as in cases of impossibility of corresponding genetic investigation for different objective reasons. A number of advantages of methods of molecular genetics in the dental investigation have been marked, particularly in putrefactive changes, in personal identification. Key moments of modern condition of personal identification have been reflected according to dental state. Prospective directions of advance preparation of material have been emphasized for identification of teeth in forensic practice.

Keywords: dental state, forensic identification, molecular genetic analysis, teeth

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Authors: Ahmed Ouadah Bouakkaz, Mohamed Elmeguenni, Bel Abbes Bachir Bouiadjra, Mohamed Belhouari, Abdulmohsen Albedah

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In this study, the effect of the chemical environment on the mechanical properties of the polypropylene-talc composite was analyzed. The talc proportion was varied in order to highlight the combined effects of time of immersion in the chemical environment 'benzene' and talc concentration on the mechanical properties of the composite. Tensile test was carried out to evaluate the mechanical properties of PP-talc composite and to analyze the effect of the immersion time on the variation of these properties. The obtained results show that increasing the time of immersion has a very negative effect on the mechanical strength of the PP-talc composite, but this effect can be significantly reduced by the augmentation of the talc proportion.

Keywords: polypropylene (PP), talc, nanocomposite, degradation

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Authors: Taisir Eldos, Aws Kanan, Waleed Nazih, Ahmad Khatatbih

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Chemical Reaction Optimization (CRO) is an optimization metaheuristic inspired by the nature of chemical reactions as a natural process of transforming the substances from unstable to stable states. Starting with some unstable molecules with excessive energy, a sequence of interactions takes the set to a state of minimum energy. Researchers reported successful application of the algorithm in solving some engineering problems, like the quadratic assignment problem, with superior performance when compared with other optimization algorithms. We adapted this optimization algorithm to the Printed Circuit Board Drilling Problem (PCBDP) towards reducing the drilling time and hence improving the PCB manufacturing throughput. Although the PCBDP can be viewed as instance of the popular Traveling Salesman Problem (TSP), it has some characteristics that would require special attention to the transactions that explore the solution landscape. Experimental test results using the standard CROToolBox are not promising for practically sized problems, while it could find optimal solutions for artificial problems and small benchmarks as a proof of concept.

Keywords: evolutionary algorithms, chemical reaction optimization, traveling salesman, board drilling

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Authors: Rashad Al-Gaashani, Muataz A. Atieh

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In this study, the effect of preparation temperature, namely room temperature (RT), 40, 60, and 85°C, on producing of high-quality graphene oxide (GO) has been investigated. GO samples have been prepared by chemical oxidation of graphite via a safe improved chemical technique using a blend of two deferent acids: sulphuric acid (H₂SO₄) and phosphoric acid (H₃PO₄) with volume ratio 4:1, respectively. potassium permanganate (KMnO₄) and hydrogen peroxide (H₂O₂) were applied as oxidizing agents. In this work, sodium nitrate (NaNO₃) was excluded, so the emission of hazardous explosive gases such as NO₂ and N₂O₂ was shunned. Ice and oil baths were used to carefully control the temperature. Several characterization instruments including X-Ray diffraction, transmission electron microscopy, scanning electron microscopy, electron dispersive spectroscopy, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, and UV-vis spectroscopy were used to study and compare the synthesized samples. The results indicated that GO can be prepared at RT with graphite oxide, and the purity of GO increased with rising of the solvent temperature. Optical properties of GO samples were studied using UV-vis absorption spectra.

Keywords: chemical method, graphite, graphene oxide, optical properties

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Authors: Karina Santos Silvério, Fátima Carvalho, Maria Adelaide Almeida

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The impacts caused by anthropogenic actions on the water environment have been one of the main challenges of modern society. Population growth, added to water scarcity and climate change, points to a need to increase the resilience of production systems to increase efficiency regarding the management of wastewater generated in the different processes. Based on this context, the study developed under the NETA project (New Strategies in Wastewater Treatment) aimed to evaluate the efficiency of the Chemical Precipitation Process (CPP), using the hydrated lime (Ca(OH )₂) as a reagent in wastewater from the agroindustry sector, namely swine wastewater, slaughterhouse and urban wastewater, in order to make the productive means 100% circular, causing a direct positive impact on the environment. The purpose of CPP is to innovate in the field of effluent treatment technologies, as it allows rapid application and is economically profitable. In summary, the study was divided into four main stages: 1) Application of the reagent in a single step, raising the pH to 12.5 2) Obtaining sludge and treated effluent. 3) Natural neutralization of the effluent through Carbonation using atmospheric CO₂. 4) Characterization and evaluation of the feasibility of the chemical precipitation technique in the treatment of different wastewaters through the technique of determining the chemical oxygen demand (COD) and other supporting physical-chemical parameters. The results showed an approximate average removal efficiency above 80% for all effluents, highlighting the swine effluent with 90% removal, followed by urban effluent with 88% and slaughterhouse with 81% on average. Significant improvement was also obtained with regard to color and odor removal after Carbonation to pH 8.00.

Keywords: agroindustry wastewater, urban wastewater, natural carbonatation, chemical precipitation technique

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Authors: Toshikee Yadav, Deepti Tikariha, Jyotsna Lakra, Kallol K. Ghosh

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Polycyclic aromatic hydrocarbons (PAHs) are potent atmospheric pollutants that consist of two or more benzene rings. PAHs have low solubility in water. Their slow dissolution can contaminate large amounts of ground water for long period. They are hydrophobic, non-polar and neutral in nature and are known to have potential mutagenic or carcinogenic activity. In current scenario their removal from the environment, water and soil is still a great challenge and scientists worldwide are engaged to invent and design novel separation technology and decontaminating systems. Various physical, chemical, biological and their combined technologies have been applied to remediate organic-contaminated soils and groundwater. Surfactants play a vital role in the solubilization of these hydrophobic organic compounds. In the present investigation Solubilization capabilities of structurally different gemini surfactants i.e. butanediyl-1,4-bis(dimethyldodecylammonium bromide) (C12-4-C12,2Br−), 2-butanol-1,4-bis (dimethyldodecylammonium bromide) (C12-4(OH)-C12,2Br−), 2,3-butanediol-1,4-bis (dimethyldodecylammonium bromide) (C12-4(OH)2-C12,2Br−) for three polycyclic aromatic hydrocarbons (PAHs); phenanthrene (Phe),fluorene (Fluo) and acenaphthene (Ace) have been studied spectrophotometrically at 300 K. The result showed that the solubility of PAHs increases linearly with increasing surfactant concentration, as an implication of association between the PAHs and micelles. Molar solubilization ratio (MSR), micelle–water partition coefficient (Km) and Gibb's free energy of solubilization (ΔG°s) for PAHs have been determined in aqueous medium. (C12-4(OH)2-C12,2Br−) shows the higher solubilization for all PAHs. Findings of the present investigation may be useful to understand the role of appropriate surfactant system for the solubilization of toxic hydrophobic organic compounds.

Keywords: gemini surfactant, molar solubilization ratio, polycyclic aromatic hydrocarbon, solubilization

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Authors: Sugandha Asthana, Geetika Vajpayee, Pratibha Kumari, Shanthy Sundaram

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An economically important disease of wheat in North Western region of India is Karnal Bunt caused by smut fungus Tilletia indica. This fungal pathogen spreads by air, soil and seed borne sporodia at the time of flowering, which ultimately leads to partial bunting of wheat kernels with fishy odor and taste to wheat flour. It has very serious effects due to quarantine measures which have to be applied for grain exports. Chemical fungicides such as mercurial compounds and Propiconazole applied to the control of Karnal bunt have been only partially successful. Considering the harmful effects of chemical fungicides on man as well as environment, many countries are developing biological control as the superior substitute to chemical control. Repeated use of fungicides can be responsible for the development of resistance in fungal pathogens against certain chemical compounds. The present investigation is based on the isolation and evaluation of antifungal properties of some isolated (from natural manure) and commercial bacterial strains against Tilletia indica. Total 23 bacterial isolates were obtained and antagonistic activity of all isolates and commercial bacterial strains (Bacillus subtilis MTCC8601, Bacillus pumilus MTCC 8743, Pseudomonas aeruginosa) were tested against T. indica by dual culture plate assay (pour plate and streak plate). Test for the production of antifungal volatile organic compounds (VOCs) by antagonistic bacteria was done by sealed plate method. Amongst all s1, s3, s5, and B. subtilis showed more than 80% inhibition. Production of extracellular hydrolytic enzymes such as protease, beta 1, 4 glucanase, HCN and ammonia was studied for confirmation of antifungal activity. s1, s3, s5 and B. subtilis were found to be the best for protease activity and s5 and B. subtilis for beta 1, 4 glucanase activity. Bacillus subtilis was significantly effective for HCN whereas s3, s5 and Bacillus subtilis for ammonia production. Isolates were identified as Pseudomonas aeruginosa (s1) and B. licheniformis (s3, s5) by various biochemical assays and confirmed by16s rRNA sequencing. Use of microorganisms or their secretions as biocontrol agents to avoid plant diseases is ecologically safe and may offer long term of protection to crop. The above study reports the promising effects of these strains in better pathogen free crop production and quality maintenance as well as prevention of the excessive use of synthetic fungicides.

Keywords: antagonistic, antifungal, biocontrol, Karnal bunt

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Authors: Michael Sigruener, Dirk Muscat, Nicole Struebbe

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Fiber reinforcement is a state of the art to enhance mechanical properties in plastics. For concrete and civil engineering, steel reinforcements are commonly used. Steel reinforcements show disadvantages in their chemical resistance and weight, whereas polymer fibers' major problems are in fiber-matrix adhesion and mechanical properties. In spite of these facts, longevity and easy handling, as well as chemical resistance motivate researches to develop a polymeric material for fiber reinforced concrete. Adhesion and interfacial mechanism in fiber-polymer-composites are already studied thoroughly. For polymer fibers used as concrete reinforcement, the bonding behavior still requires a deeper investigation. Therefore, several differing polymers (e.g., polypropylene (PP), polyamide 6 (PA6) and polyetheretherketone (PEEK)) were spun into fibers via single screw extrusion and monoaxial stretching. Fibers then were embedded in a concrete matrix, and Single-Fiber-Pull-Out-Tests (SFPT) were conducted to investigate bonding characteristics and microstructural interface of the composite. Differences in maximum pull-out-force, displacement and slope of the linear part of force vs displacement-function, which depicts the adhesion strength and the ductility of the interfacial bond were studied. In SFPT fiber, debonding is an inhomogeneous process, where the combination of interfacial bonding and friction mechanisms add up to a resulting value. Therefore, correlations between polymeric properties and pull-out-mechanisms have to be emphasized. To investigate these correlations, all fibers were introduced to a series of analysis such as differential scanning calorimetry (DSC), contact angle measurement, surface roughness and hardness analysis, tensile testing and scanning electron microscope (SEM). Of each polymer, smooth and abraded fibers were tested, first to simulate the abrasion and damage caused by a concrete mixing process and secondly to estimate the influence of mechanical anchoring of rough surfaces. In general, abraded fibers showed a significant increase in maximum pull-out-force due to better mechanical anchoring. Friction processes therefore play a major role to increase the maximum pull-out-force. The polymer hardness affects the tribological behavior and polymers with high hardness lead to lower surface roughness verified by SEM and surface roughness measurements. This concludes into a decreased maximum pull-out-force for hard polymers. High surface energy polymers show better interfacial bonding strength in general, which coincides with the conducted SFPT investigation. Polymers such as PEEK or PA6 show higher bonding strength in smooth and roughened fibers, revealed through high pull-out-force and concrete particles bonded on the fiber surface pictured via SEM analysis. The surface energy divides into dispersive and polar part, at which the slope is correlating with the polar part. Only polar polymers increase their SFPT-function slope due to better wetting abilities when showing a higher bonding area through rough surfaces. Hence, the maximum force and the bonding strength of an embedded fiber is a function of polarity, hardness, and consequently surface roughness. Other properties such as crystallinity or tensile strength do not affect bonding behavior. Through the conducted analysis, it is now feasible to understand and resolve different effects in pull-out-behavior step-by-step based on the polymer properties itself. This investigation developed a roadmap on how to engineer high adhering polymeric materials for fiber reinforcement of concrete.

Keywords: fiber-matrix interface, polymeric fibers, fiber reinforced concrete, single fiber pull-out test

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Authors: Vishal Pareek, Shubham Gupta, Sushil Chandra Jain

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With increasing high-speed computation demand the power consumption, heat dissipation and chip size issues are posing challenges for logic design with conventional technologies. Recovery of bit loss and bit errors is other issues that require reversibility and fault tolerance in the computation. The reversible computing is emerging as an alternative to conventional technologies to overcome the above problems and helpful in a diverse area such as low-power design, nanotechnology, quantum computing. Bit loss issue can be solved through unique input-output mapping which require reversibility and bit error issue require the capability of fault tolerance in design. In order to incorporate reversibility a number of combinational reversible logic based circuits have been developed. However, very few sequential reversible circuits have been reported in the literature. To make the circuit fault tolerant, a number of fault model and test approaches have been proposed for reversible logic. In this paper, we have attempted to incorporate fault tolerance in sequential reversible building blocks such as D flip-flop, T flip-flop, JK flip-flop, R-S flip-flop, Master-Slave D flip-flop, and double edge triggered D flip-flop by making them parity preserving. The importance of this proposed work lies in the fact that it provides the design of reversible sequential circuits completely testable for any stuck-at fault and single bit fault. In our opinion our design of reversible building blocks is superior to existing designs in term of quantum cost, hardware complexity, constant input, garbage output, number of gates and design of online testable D flip-flop have been proposed for the first time. We hope our work can be extended for building complex reversible sequential circuits.

Keywords: parity preserving gate, quantum computing, fault tolerance, flip-flop, sequential reversible logic

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Authors: Albana Kashtanjeva-Bytyçi, Idriz Vehapi, Rifat Morina, Osman Fetoshi

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The purpose of this study is to determine the water quality in Batllava Leka through which a part of the population of the Prishtina region is supplied with drinking water. Batllava Leka is a lake built in the 70s. This lake is located in the village of Btlava in the municipality of Podujeva, with coordinates 42 ° 49′33 ″ V 21 ° 18′25 ″ L, with an area of 3.07 km2. Water supply is from the river Brvenica- Batllavë. In order to take preventive measures and improve water quality, we have conducted periodic/monthly monitoring of water quality in Lake Batllava, through microbiological and physico-chemical indicators. The monitoring was carried out during the period December 2020 - December 2021. Samples were taken at three sampling sites: at the entrance of the lake, in the middle and at the overflow, on two levels, water surface and at a depth of 30 cm. The microbiological parameters analyzed are: total coliforms, fecal coliforms, fecal streptococci, aerobic mesophilic bacteria and actinomycetes. Within the physico-chemical parameters: Dissolved Oxygen, Saturation with O2, water temperature, pH value, electrical conductivity, total soluble matter, total suspended matter, turbidity, chemical oxygen demand, biochemical oxygen demand, total organic carbon, nitrate, total hardness, hardness of calcium, calcium, magnesium, ammonium ion, chloride, sulfates, flourine, M-alkalines, bicarbonates and heavy metals, such as: Fe, Pb, Mn, Cu, Cd. The results showed that most of the physico-chemical and microbiological parameters are within the limit allowed by the WHO, except in the case of the rainiest season that exceeded some parameters.

Keywords: batllava lake, monitoring of water, physico-chemical, microbiological, heavy metals

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Authors: Mehrdad Abkenari, Naghmeh Pournayeb, Mohsen Ramezan Shirazi

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Nano-science has been widely used in different engineering sciences. Generally, materials’ application can be determined through their chemical and physical properties. Nano-science has introduced as a new way in production systems that not only turns the materials into very small particles but also, gives them new and considerable properties. Like other fields of study, civil engineering has not been ignorant of benefits and characteristics of new nanotechnology and has used it in the construction industry and environmental engineering. Therefore, considering such chemical properties as elemental analysis and molecular or atomic structure, the present article is aimed at studying the effects of Nano-materials on different branches of civil engineering. Finally, by identifying new Nano-materials, this study attempts to introduce advantages of using these materials for increasing the strength of materials during construction as well as finding new approaches to prevent or reduce the entrance of chemical pollutants during or after construction to the environment.

Keywords: civil, nano-science, construction, environment

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Authors: Suliman Mohammed Alghanem

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Ecological and botanical surveys were conducted on Rawdhat Salasil, Al-Qassim region, Saudi Arabia. The survey also includes the study of the plant communities in the study area by sampling the associated species in each community using the List Count Quadrant method to study the density, frequency, and plant cover. The present study has shown an account of the under-mentioned five different communities: Haloxylonpersicum community is a dominant perennial shrub with an important value of 47.88%. This community is represented by 20 associated species. The chemical analysis of the soil of this habitat exhibits more alkalinity with low salinity. Tamarixnilotica communityis a perennial shrub with an important value of 60.48%. This community is represented by 14 associated species. The chemical analysis of the soil of this habitat demonstrates richness in alkalis with high salinity.Salsolaimbricata communityis a perennial herb with an important value of 60.18%. This community is represented by 17 associated species. The chemical analysis of the soil of this habitat exhibits richness in alkalis with low salinity.Panicumturgidum is a perennial herb with an important value of 65.1%. This community is represented by 11 associated species. The chemical analysis of the soil of this habitat exhibits richness in alkalis and the absence of salinity. Pulicariaundulata community is predominantly an annual shrub with an important value of 91.79%. This community is represented by 16 species. The chemical analysis of the soil of this habitat exhibits richness in alkalis, and the absence of salinity.

Keywords: rangelands, plant communities, Rawdhat Salasil, edaphic factors

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Authors: Abegunde Linda, Adedeji Oluwatayo, Tope-Ajayi Opeyemi

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Maize constitutes a major agrarian production for use by the vast population but despite its economic importance, it has not been produced to meet the economic needs of the country. Achieving optimum yield in maize can meaningfully be supported by land suitability analysis in order to guarantee self-sufficiency for future production optimization. This study examines land suitability for maize production through the analysis of the physic-chemical variations in soil properties over space using a Geographic Information System (GIS) framework. Physic-chemical parameters of importance selected include slope, landuse, and physical and chemical properties of the soil. Landsat imagery was used to categorize the landuse, Shuttle Radar Topographic Mapping (SRTM) generated the slope and soil samples were analyzed for its physical and chemical components. Suitability was categorized into highly, moderately and marginally suitable based on Food and Agricultural Organisation (FAO) classification using the Analytical Hierarchy Process (AHP) technique of GIS. This result can be used by small scale farmers for efficient decision making in the allocation of land for maize production.

Keywords: AHP, GIS, MCE, suitability, Zea mays

Procedia PDF Downloads 396

Authors: Muhammad Ahmad

Abstract:

In this research, Chrysanthemum (morifolium) flowers are used as a natural dye to reduce synthetic dyes and take a step toward sustainability in the fashion industry. The aqueous extraction method is utilized for natural dye extraction and then applied to silk and cotton fabric samples. The color of the dye extracted from dried chrysanthemum flowers is originally a shade of rich green, but after being washed with detergent, it turns to a shade of yellow. Traditional salt and vinegar are used as a natural mordant to fix the dye color. This study also includes a phenolic and chemical analysis of the natural dye (Chrysanthemum flowers) and the textiles (cotton and silk). Compared to cotton fabric, silk fabric has far superior chemical qualities to use in natural dyeing. The results of this study show that the Chrysanthemum flower offers a variety of colors when treated with detergent, without detergent, and with mordants. Chrysanthemum flowers have long been used in other fields, such as medicine; therefore, it is time to start using them in the fashion industry as a natural dye to lessen the harm that synthetic dyes cause.

Keywords: natural dyes, Chrysanthemum flower, sustainability, textile fabrics, chemical and phenolic analysis

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Authors: E. Tarantino, G. Disciglio, G. Gatta, L. Frabboni, A. Libutti, A. Tarantino

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Worldwide, about two-thirds of industrial and domestic wastewater effluent is discharged without treatment, which can cause contamination and eutrophication of the water. In particular, for Mediterranean countries, irrigation with treated wastewater would mitigate the water stress and support the agricultural sector. Changing global weather patterns will make the situation worse, due to increased susceptibility to drought, which can cause major environmental, social, and economic problems. The study was carried out in open field in an intensive agricultural area of the Apulian region in Southern Italy where freshwater resources are often scarce. As well as providing a water resource, irrigation with treated wastewater represents a significant source of nutrients for soil–plant systems. However, the use of wastewater might have further effects on soil. This study thus investigated the long-term impact of irrigation with reclaimed agro-industrial wastewater on the chemical characteristics of the soil. Two crops (processing tomato and broccoli) were cultivated in succession in Stornarella (Foggia) over four years from 2012 to 2016 using two types of irrigation water: groundwater and tertiary treated agro-industrial wastewater that had undergone an activated sludge process, sedimentation filtration, and UV radiation. Chemical analyses were performed on the irrigation waters and soil samples. The treated wastewater was characterised by high levels of several chemical parameters including TSS, EC, COD, BOD₅, Na⁺, Ca²⁺, Mg²⁺, NH₄-N, PO₄-P, K⁺, SAR and CaCO₃, as compared with the groundwater. However, despite these higher levels, the mean content of several chemical parameters in the soil did not show relevant differences between the irrigation treatments, in terms of the chemical features of the soil.

Keywords: agro-industrial wastewater, broccoli, long-term re-use, tomato

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Authors: P. Karalis, E. Dotsika, A. Godelitsas, M. Tassi, D. Ignatiadou

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Glass artefacts originated from Northern Greece, dated between 1st and 6th AC, were analyzed for their oxygen isotopic and chemical compositions in order to identify their raw materials provenance. The chemical composition of these glasses is rather heterogeneous although they are all obtained with natron as flux, having both K₂O and MgO contents lower than 1.5 wt%. The majority of these samples have a homogeneous oxygen isotopic composition (𝛿18O= 16‰,), which is equal to or very close to the mean value of “Roman” glass (from about 15‰ to 16.0‰). The rest of the samples present heavily enriched 𝛿18O values that indicate that their raw materials differ from those normally used in Roman and Medieval glass production, and this matches with the possibility of the different origins of these materials. So, all these fragments are soda-lime-silica natron-glass produced from natron, possibly coming from more than one source.

Keywords: ancient glass, provenance of raw materials of ancient glass, roman glass, oxygen isotope analysis in glass

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Authors: Mira Ezora Zainal Abidin, Siti Fauzuna Othman, Zalina Harun, M. Hafiz M. Pikri

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In a fire incident involving a Nitrogen storage tank that over-pressured and exploded, resulting in a fire in one of the units in a refinery, lack of data and evidence hampered the investigation to determine the root cause. Instrumentation and fittings were destroyed in the fire. To make it worst, this incident occurred during the COVID-19 pandemic, making collecting and testing evidence delayed. In addition to that, the storage tank belonged to a third-party company which requires legal agreement prior to the refinery getting approval to test the remains. Despite all that, the investigation had to be carried out with stakeholders demanding answers. The investigation team had to devise alternative means to support whatever little evidence came out as the most probable root cause. International standards, practices, and previous incidents on similar tanks were referred. To narrow down to just one root cause from 8 possible causes, transient simulations were conducted to simulate the overpressure scenarios to prove and eliminate the other causes, leaving one root cause. This paper shares the methodology used and details how transient simulations were applied to help solve this. The experience and lessons learned gained from the event investigation and from numerous case studies via transient analysis in finding the root cause of the accident leads to the formulation of future mitigations and design modifications aiming at preventing such incidents or at least minimize the consequences from the fire incident.

Keywords: fire, transient, simulation, relief

Procedia PDF Downloads 95

Authors: Amer Dawoud, Jesy Motchaalangaram, Arati Biswakarma, Wujan Mio, Karl Wallace

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The development of an embedded miniaturized drone-based system for remote detection of Chemical Warfare Agents (CWA) is proposed. The paper focuses on the software/hardware system design of the electrochemical Cyclic Voltammetry (CV) and Differential Pulse Voltammetry (DPV) signal processing for future deployment on drones. The paper summarizes the progress made towards hardware and electrochemical signal processing for signature detection of CWA. Also, the miniature potentiostat signal is validated by comparing it with the high-end lab potentiostat signal.

Keywords: drone-based, remote detection chemical warfare agents, miniaturized, potentiostat

Procedia PDF Downloads 136