Search results for: precipitation inhibitor

Authors: Arias M. L., D’Adamo J., Novosad M. N., Raffo P. A., Burbridge H. P., Artana G.

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Shale oils are highly paraffinic and, consequently, can create wax deposits that foul pipelines during transportation. Several factors must be considered when designing pipelines or treatment programs that prevents wax deposition: including chemical species in crude oils, flowrates, pipes diameters and temperature. This paper describes the wax deposition study carried out within the framework of Y-TEC's flow assurance projects, as part of the process to achieve a better understanding on wax deposition issues. Laboratory experiments were performed on a medium size, 1 inch diameter, wax deposition loop of 15 mts long equipped with a solid detector system, online microscope to visualize crystals, temperature and pressure sensors along the loop pipe. A baseline test was performed with diesel with no paraffin or additive content. Tests were undertaken with different temperatures of circulating and cooling fluid at different flow conditions. Then, a solution formed with a paraffin added to the diesel was considered. Tests varying flowrate and cooling rate were again run. Viscosity, density, WAT (Wax Appearance Temperature) with DSC (Differential Scanning Calorimetry), pour point and cold finger measurements were carried out to determine physical properties of the working fluids. The results obtained in the loop were analyzed through momentum balance and heat transfer models. To determine possible paraffin deposition scenarios temperature and pressure loop output signals were studied. They were compared with WAT static laboratory methods. Finally, we scrutinized the effect of adding a chemical inhibitor to the working fluid on the dynamics of the process of wax deposition in the loop.

Keywords: paraffin desposition, flow assurance, chemical inhibitors, flow loop

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Authors: Lima Priscila, Gianotto Raiza, Arruda Leonan, Magalhães Filho Fernando

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Industrialization and especially the accentuated population growth in developing countries and the lack of drainage, public cleaning, water and sanitation services has caused concern about the need for expansion of water treatment units and sewage. However, these units have been generating by-products, such as the sludge. This paper aims to investigate aspects of operation and maintenance of sludge from a wastewater treatment plant (WWTP - 90 L.s-1) and two water treatment plants (WTPs; 1.4 m3.s-1 and 0.5 m3.s-1) for the purpose of proper disposal and reuse, evaluating their qualitative and quantitative characteristics, the Brazilian legislation and standards. It was concluded that the sludge from the water treatment plants is directly related to the quality of raw water collected, and it becomes feasible for use in construction materials, and to dispose it in the sewage system, improving the efficiency of the WWTP regarding precipitation of phosphorus (35% of removal). The WTP Lageado had 55,726 kg/month of sludge production, more than WTP Guariroba (29,336 kg/month), even though the flow of WTP Guariroba is 1,400 L.s-1 and the WTP Lagedo 500 L.s-1, being explained by the quality that influences more than the flow. The WWTP sludge have higher concentrations of organic materials due to their origin and could be used to improve the fertility of the soil, crop production and recovery of degraded areas. The volume of sludge generated at the WWTP was 1,760 ton/month, with 5.6% of solid content in the raw sludge and in the dewatered sludge it increased its content to 23%.

Keywords: disposal, sludge, water treatment, wastewater treatment

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Authors: Mehdi Ghatus

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Two simple apparatus based on the hammer and anvil principle have been constructed and used to study the microstructure and micro-hardness characteristics of some AL-base alloys. Foils with thicknesses arranging from 20 µm up to 600 µm have been obtained. The cooling rate was estimated to be in the range 10^4 - 10^5 K/sec. Microstructure study of rapidly quenched Al-30% Si foils indicated that with decreasing the foil thickness the size of primary Si crystallites decreases in the whole investigated range (0.64-0.15 mm). However, the volume fraction of the primary Si crystals in the structure remained constant down to thickness the primary Si volume fraction started to decrease. Rapid quenching of Al- 14-16% Cu showed single phase cell structure. In foils up to 0.55 mm with decreasing the foil thickness the cell size decreases and micro-hardness increases particularly in foils below 0.3 mm in thickness. Isochronal annealing of theses foils show that the highly supersaturated Al-14-16% Cu solid solution decomposes readily at relatively low temperature and short time intervals. The maximum hardness is obtained after annealing at 100 °C for 30 minutes. However with decreasing the Cu content of the foils the precipitation process is largely delayed. Eight hours of annealing at 100 °C was not enough to achieve the maximum hardness in Al-4% Cu thin foils. The achieved hardness value was more than twice of the maximum hardness obtained in articles of similar composition but conventionally aged.

Keywords: aluminum, hardness, alloys, quenched aluminum

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Authors: Mouna Baassi, Mohamed Moussaoui, Hatim Soufi, Sanchaita RajkhowaI, Ashwani Sharma, Subrata Sinha, Said Belaaouad

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Human Immunodeficiency Virus type 1 protease (HIV-1 PR) is one of the most challenging targets of antiretroviral therapy used in the treatment of AIDS-infected people. The performance of protease inhibitors (PIs) is limited by the development of protease mutations that can promote resistance to the treatment. The current study was carried out using statistics and bioinformatics tools. A series of thirty-three compounds with known enzymatic inhibitory activities against HIV-1 protease was used in this paper to build a mathematical model relating the structure to the biological activity. These compounds were designed by software; their descriptors were computed using various tools, such as Gaussian, Chem3D, ChemSketch and MarvinSketch. Computational methods generated the best model based on its statistical parameters. The model’s applicability domain (AD) was elaborated. Furthermore, one compound has been proposed as efficient against HIV-1 protease with comparable biological activity to the existing ones; this drug candidate was evaluated using ADMET properties and Lipinski’s rule. Molecular Docking performed on Wild Type and Mutant Type HIV-1 proteases allowed the investigation of the interaction types displayed between the proteases and the ligands, Darunavir (DRV) and the new drug (ND). Molecular dynamics simulation was also used in order to investigate the complexes’ stability, allowing a comparative study of the performance of both ligands (DRV & ND). Our study suggested that the new molecule showed comparable results to that of Darunavir and may be used for further experimental studies. Our study may also be used as a pipeline to search and design new potential inhibitors of HIV-1 proteases.

Keywords: QSAR, ADMET properties, molecular docking, molecular dynamics simulation.

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Authors: Lin Dong-Yih, Yang S. M., Huang B. W., Lian J. A.

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Super duplex stainless steel has excellent mechanical properties and corrosion resistance. It becomes important structural material as its application has been extended to the fields such as renewable energy and the chemical industry because of its excellent properties. As examples are offshore wind power, solar cell machinery, and pipes in the chemical industry. The mechanical properties and corrosion resistance of super duplex stainless steel can be eliminated by welding due to the precipitation of the hard and brittle σ phase, which is rich of chromium, and molybdenum elements. This paper studies the influence of carbon element on the phase transformation of -ferrite and σ phase in 2507 super duplex stainless steel. The 2507 will be under argon gas protection welded with 316 and 316L extra low carbon stainless steel separately. The microstructural phases of stainless steels before and after welding, in fusion, heat affected zones, and base material will be studied via X-ray, OM, SEM, EPMA i.e. their quantity, size, distribution, and morphology. The influences of diffusion by carbon element will be compared according to the microstructures, hardness, and corrosion tests.

Keywords: complex stainless steel, welding, phase formation, carbon element, sigma phase, delta ferrite

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Authors: Abdelkader T. Ahmed

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Phosphate Rocks (PR) are natural sediment rocks. These rocks contain several chemical compositions of heavy metals and radioactive elements. Mining and transportation these rocks beside or through the natural water streams may lead to water contamination. When PR is in contact with water in the field, as a consequence of precipitation events, changes in water table or sinking in water streams, elements such as salts and heavy metals, may be released to the water. In this work, the leaching properties of PR in Nile River water was investigated by experimental lab work. The study focused on evaluating potential environmental impacts of some constituents, including phosphors, cadmium, curium and lead of PR on the water quality of Nile by applying tank leaching tests. In these tests the potential impact of changing conditions, such as phosphate content in PR, liquid to solid ratio (L/S) and pH value, was studied on the long-term release of heavy metals and salts. Experimental results showed that cadmium and lead were released in very low concentrations but curium and phosphors were in high concentrations. Results showed also that the release rate from PR for all constituents was low even in long periods.

Keywords: leaching tests, Nile river, phosphate rocks, water quality

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Authors: Su-Ning Wang, Yao-Qiang Chen

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The CeO2-ZrO2-La2O3-Al2O3 composite oxides are synthesized using co-precipitation method by two different reactors (i.e. continuous stirred-tank reactor and batch reactor), and the corresponding Rh-only three-way catalysts are obtained by wet-impregnation approach. The textural, structural, morphology and redox properties of the support materials, as well as the catalytic performance of the Rh-only catalyst are investigated systematically. The results reveal that the materials (CZLA-C) synthesized by continuous stirred-tank reactor have a better physic-chemical properties than the counterpart material (CZLA-B) prepared by batch reactor. After aging treatment at 1000 ℃ for 5 h, the BET surface area and pore volume of S1 reach up to 76 m2 g-1 and 0.36 mL/g, respectively, which is higher than that of S2. The XRD and Raman results demonstrate that a high structural stability is obtained by S1 because of the negligible lattice variation and the slight grain growth after aging treatment. The SEM and TEM images display that the morphology of S1 is assembled by many homogeneous primary nanoparticles (about 6.12 nm) that are connected to form mesoporous structure The TPR measurement shows that S1 possesses a higher reduction ability than S2. Compared with the catalyst supported on the CZLA-B, the as-prepared CZLA-C demonstrates an improved three-way catalytic activity both before and after aging treatment.

Keywords: composite oxides, reactor, catalysis, catalytic performance

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Authors: V. Jafari, M. Jafari

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When long-term changes in normal weather patterns happen in a certain area, it generally could be identified as climate change. Concentration of principal's greenhouse gases such as carbon dioxide, nitrous oxide, methane, ozone, and water vapor will cause climate change and perhaps climate variability. Main climate factors are temperature, precipitation, air pressure, and humidity. Extreme events may be the result of the changing of carbon dioxide concentration levels in the atmosphere which cause a change in temperature. Extreme events in some ways will affect the productivity of crop and dairy livestock. In this research, the correlation of milk production and temperature as the main climate factor in ChaharMahal and Bakhtiari province in Iran has been considered. The methodology employed for this study consists, collect reports and published national and provincial data, available recorded data on climate factors and analyzing collected data using statistical software. Milk production in ChaharMahal and Bakhtiari province is in the same pattern as national milk production in Iran. According to the current study results, there is a significant negative correlation between milk production in ChaharMahal and Bakhtiari provinces and temperature as the main climate change factor.

Keywords: Chaharmahal and Bakhtiari, climate change, impacts, Iran, milk production

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Authors: Gajanan M. Sonwane

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Nowadays, the entire pharmaceutical industry is facing the challenge of increasing efficiency and innovation. The major hurdles are the growing cost of research and development and a concurrent stagnating number of new chemical entities (NCEs). Hence, the challenge is to select the most druggable targets and to search the equivalent drug-like compounds, which also possess specific pharmacokinetic and toxicological properties that allow them to be developed as drugs. The present research work includes the studies of developing new anticancer heterocycles by using molecular modeling techniques. The heterocycles synthesized through such methodology are much effective as various physicochemical parameters have been already studied and the structure has been optimized for its best fit in the receptor. Hence, on the basis of the literature survey and considering the need to develop newer anticancer agents, new phenazinamine derivatives were designed by subjecting the nucleus to molecular modeling, viz., GQSAR analysis and docking studies. Simultaneously, these designed derivatives were subjected to in silico prediction of biological activity through PASS studies and then in silico toxicity risk assessment studies. In PASS studies, it was found that all the derivatives exhibited a good spectrum of biological activities confirming its anticancer potential. The toxicity risk assessment studies revealed that all the derivatives obey Lipinski’s rule. Amongst these series, compounds 4c, 5b and 6c were found to possess logP and drug-likeness values comparable with the standard Imatinib (used for anticancer activity studies) and also with the standard drug methotrexate (used for antimitotic activity studies). One of the most notable mutations is the threonine to isoleucine mutation at codon 315 (T315I), which is known to be resistant to all currently available TKI. Enzyme assay planned for confirmation of target selective activity.

Keywords: drug design, tyrosine kinases, anticancer, Phenazinamine

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Authors: Abdelaziz Messis, Azzeddine Bettache, Nawel Boucherba, Said Benallaoua, Mouloud Kecha

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Actinobacteria are of special biotechnological interest since they are known to produce chemically diverse compounds with a wide range of biological activity. This distinct clade of Gram-positve bacteria include some of the key antibiotic producers and are also sources of several bioactive compounds, established commercially a newly filamentous bacteria was recovered from Tikjda forest soil (Algeria) for its high antifungal activity against various pathogenic and phytopathogenic fungi. The nucleotide sequence of the 16S rRNA gene (1454 pb) of Streptomyces sp. TKJ2 exhibited close similarity (99 %) with other Streptomyces16S rRNA genes. Antifungal metabolite production of Streptomyces sp TKJ2 was evaluated using six different fermentation media. The extracellular products contained potent antifungal agents. Antifungal protein produced by Streptomyces sp. TKJ2 on PCA medium has been purified by ammonium sulfate precipitation, SPE column chromatography and high-performance liquid chromatography in a reverse-phase column. The UV chromatograms of the active fractions obtained at 214 nm by NanoLC-ESI-MS/MS have different molecular weights. The F20 Peptidic fraction obtained from culture filtrat of Streptomyces sp. TKJ2 precipitated at 30% of ammonium sulfate was selected for analysis by infusion ESI-MS which yielded a singly charged ion mass of 437.17 Da.

Keywords: actinobacteria, antifungal protein, chromatography, Streptomyces

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Authors: Numfon Rakkhumkaew, Takeru Kawasaki, Makoto Fujie, Takashi Yamada

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Chlorella viruses or chloroviruses contain a gene that encodes a function for chitin synthesis, which is expressed early in viral infection to produce chitin polysaccharide, a polymer of β-1, 4-linked GlcNAc, on the outside of Chlorella cell wall. Interestingly, chlorovirus system is an eco-friendly system which converses CO2 and solar energy from the environment into useful materials. However, infected Chlorella cells are lysed at the final stage of viral infection, and this phenomenon is caused the breaking down of polysaccharide. To postpone the lysing period and prolong the synthesis of chitin polysaccharide on cells, the slow growing virus incorporated with aphidicolin treatment, an inhibitor of DNA synthesis, was investigated. In this study, a total of 25 virus isolates from water samples in Japan region were analyzed for CHS (the gene for CH synthase) gene by PCR (polymerase chain reaction). The accumulation and appearance of chitin polysaccharide on infected cells were detected by biotinylated chitin-binding proteins WGA (wheat germ agglutinin)-biotin for chitin in conjunction with avidin-Cy 2 or Cy 3 and investigated by fluorescence microscopy, observed as green or yellow fluorescence over the cell surface. Among all chlorovirus isolates, cells infected with CNF1 revealed the accumulation of chitin over the cell surface within 30 min p.i. and continued to accumulate on cells until 4 h p.i. before cell lyses which was 1.6 times longer accumulation period than cells infected with CVK2 (prototype virus). Furthermore, addition of aphidicolin could extend the chitin accumulation on cells infected with CNF1 until 8 h p.i. before cell lyses. Whereas, CVK2-infected cells treated with aphidicolin could prolong the chitin synthesis only for 6 h p.i. before cell lyses. Therefore, chitin synthesis by Chlorella-virus system could be prolonged by using slow-growing viral isolates and with aphidicolin.

Keywords: chitin, chlorovirus, Chlorella virus, aphidicolin

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Authors: Radia Bagtache, Karima Boudjedien, Ahmed Malek Djaballah, Mohamed Trari

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The compounds with a spinel structure have received special attention because of their numerous applications in electronics, magnetism, catalysis, electrocatalysis, photocatalysis, etc. Among these oxides, CuCo₂O₄ was selected because of its optimal band gap, very close to the ideal value for solar devices, its low cost, and a potential candidate in the field of energy storage. Herein, we reported the junction Ag/CuCo₂O₄ (5/95 % wt.) prepared by co-precipitation, characterized physically and photo electrochemically. Moreover, its performance was evaluated for the oxidation of methyl orange (MO) under solar light. The X-ray diffraction exhibited narrow peaks ascribed to the spinel CuCo₂O₄ and Ag. The SEM analysis displayed grains with regular shapes. The band gap of CuCo₂O₄ (1.38 eV) was deducted from the diffuse reflectance, and this value decreased down to 1.15 eV due to the synergy effect in the junction. The current-potential (J-E) curve plotted in Na₂SO₄ electrolyte showed a medium hysteresis, characteristic of good chemical stability. The capacitance-2 – potential (C⁻² – E) graph displayed that the spinel behaves as a p-type semiconductor, a property supported by chrono-amperometry. The conduction band, located at 4.05 eV (-0.94 VNHE), was made up of Co³⁺: 3d orbital. The result showed a total discoloration of MO after 2 h of illumination under solar light.

Keywords: junction Ag/CuCo₂O₄, semiconductor, environment, sunlight, characterization, depollution

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Authors: Daruliza Kernain, Shaharum Shamsuddin, See Too Wei Cun

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CTCF is a unique, highly conserved and ubiquitously expressed 11 zinc finger (ZF) transcriptional factor with multiple target sites. It is able to bind to various target sequences to perform different regulatory roles including promoter activation or repression, creating hormone-responsive gene silencing element, and functional block of enhancer-promoter interactions. The binding of CTCF to the essential binding site is through the combination of different ZF domain. On the other hand, BORIS for brother of the regulator of imprinted sites, which expressed only in the testis and certain cancer cell line is homology to CTCF 11 ZF domains. Since both transcriptional factors share the same ZF domains hence there is a possibility for both to bind to the same target sequences. In this study, the interaction of these two proteins to multi-functional Y-box DNA/RNA-binding factor, YB-1 was determined. The protein-protein interaction between CTCF/YB-1 and BORIS/YB-1 were discovered by Co-immuno-precipitation (CO-IP) technique through reciprocal experiment from RGBM total cell lysate. The results showed that both CTCF and BORIS were able to interact with YB-1 in Glioma RGBM cell line. To the best of our knowledge, this is the first findings demonstrating the ability of BORIS and YB-1 to form a complex in vivo.

Keywords: immunoprecipitation, CTCF/BORIS/YB-1, transcription factor, molecular medicine

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Authors: Sam Weber, Deepak Mishra, Susan Wilde, Elizabeth Kramer

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The frequency and severity of cyanobacteria harmful blooms (CyanoHABs) have been increasing over time, with point and non-point source eutrophication and shifting climate paradigms being blamed as the primary culprits. Excessive nutrients, warm temperatures, quiescent water, and heavy and less regular rainfall create more conducive environments for CyanoHABs. CyanoHABs have the potential to produce a spectrum of toxins that cause gastrointestinal stress, organ failure, and even death in humans and animals. To promote enhanced, proactive CyanoHAB management, risk modeling using geospatial tools can act as predictive mechanisms to supplement current CyanoHAB monitoring, management and mitigation efforts. The risk maps would empower water managers to focus their efforts on high risk water bodies in an attempt to prevent CyanoHABs before they occur, and/or more diligently observe those waterbodies. For this research, exploratory spatial data analysis techniques were used to identify the strongest predicators for CyanoHAB blooms based on remote sensing-derived cyanobacteria cell density values for 771 waterbodies in the Georgia Piedmont and landscape characteristics of their watersheds. In-situ datasets for cyanobacteria cell density, nutrients, temperature, and rainfall patterns are not widely available, so free gridded geospatial datasets were used as proxy variables for assessing CyanoHAB risk. For example, the percent of a watershed that is agriculture was used as a proxy for nutrient loading, and the summer precipitation within a watershed was used as a proxy for water quiescence. Cyanobacteria cell density values were calculated using atmospherically corrected images from the European Space Agency’s Sentinel-2A satellite and multispectral instrument sensor at a 10-meter ground resolution. Seventeen explanatory variables were calculated for each watershed utilizing the multi-petabyte geospatial catalogs available within the Google Earth Engine cloud computing interface. The seventeen variables were then used in a multiple linear regression model, and the strongest predictors of cyanobacteria cell density were selected for the final regression model. The seventeen explanatory variables included land cover composition, winter and summer temperature and precipitation data, topographic derivatives, vegetation index anomalies, and soil characteristics. Watershed maximum summer temperature, percent agriculture, percent forest, percent impervious, and waterbody area emerged as the strongest predictors of cyanobacteria cell density with an adjusted R-squared value of 0.31 and a p-value ~ 0. The final regression equation was used to make a normalized cyanobacteria cell density index, and a Jenks Natural Break classification was used to assign waterbodies designations of low, medium, or high risk. Of the 771 waterbodies, 24.38% were low risk, 37.35% were medium risk, and 38.26% were high risk. This study showed that there are significant relationships between free geospatial datasets representing summer maximum temperatures, nutrient loading associated with land use and land cover, and the area of a waterbody with cyanobacteria cell density. This data analytics approach to CyanoHAB risk assessment corroborated the literature-established environmental triggers for CyanoHABs, and presents a novel approach for CyanoHAB risk mapping in waterbodies across the greater southeastern United States.

Keywords: cyanobacteria, land use/land cover, remote sensing, risk mapping

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Authors: Roohallah Yousefi

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Introduction: In beta-thalassemia, an imbalance in the production of beta subunits of hemoglobin leads to the oxidation and deposition of excess alpha-globin chains at the cell membrane, resulting in the hemolysis of erythrocytes and a disorder of erythropoiesis. Antioxidants, such as curcumin, may promote this progression. This study aims to investigate the antioxidant effect of curcumin on hemolysate samples from patients with beta-thalassemia. Materials and methods: Pure curcumin was extracted and purified for use in studying its effect on the visual light absorbance of hemoglobin in hemolysate samples from beta-thalassemia patients compared to control samples. Changes in light absorbance at 540 and 700 nm wavelengths during exposure to curcumin were analyzed to examine the shift from oxyhemoglobin to deoxyhemoglobin. Results: Curcumin was found to dissolve rapidly and to a high degree in ethanol at 1 mg/ml, but did not dissolve in distilled water at the same concentration. The curcumin addition to the hemolysate sample of a patient with beta-thalassemia resulted in a decrease in the light absorbance of the sample at 540 nm wavelength, with minimal changes observed in the control sample. Conclusion: Curcumin deoxygenated the hemolysate samples from both the patient and control, causing hemoglobin precipitation to occur slowly. The study suggests a greater potential role for curcumin in deoxygenating hemoglobin in the hemolysate samples of beta-thalassemia patients compared to those of the normal control.

Keywords: beta-thalassemia, hemoglobin, curcumin, alpha-globin

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Authors: Hussain Mustatab Wahedi, Sun You Kim

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Skin acts as a barrier against the harmful environmental factors. Integrity and timely recovery of the skin from injuries and harmful effects of radiations is thus very important. This study aimed to investigate the importance of Sirt1 in the recovery of skin from UVB-induced damage and cutaneous wounds by using natural and synthetic novel Sirt1 activators. Juglone, known as a natural Pin1 inhibitor, and NED416 a novel synthetic Sirt1 activator were checked for their ability to regulate the expression and activity of Sirt1 and hence photo-damage and wound healing in cultured skin cells (NHDF and HaCaT cells) and mouse model by using Sirt1 siRNA knockdown, cell migration assay, GST-Pulldown assay, western blot analysis, tube formation assay, and immunohistochemistry. Interestingly, Sirt1 knockdown inhibited skin cell migration in vitro. Juglone up regulated the expression of Sirt1 in both the cell lines under normal and UVB irradiated conditions, enhanced Sirt1 activity and increased the cell viability by reducing reactive oxygen species synthesis and apoptosis. Juglone promoted wound healing by increasing cell migration and angiogenesis through Cdc42/Rac1/PAK, MAPKs and Smad pathways in skin cells. NED416 upregulated Sirt1 expression in HaCaT and NHDF cells as well as increased Sirt1 activity. NED416 promoted the process of wound healing in early as well as later stages by increasing macrophage recruitment, skin cell migration, and angiogenesis through Cdc42/Rac1 and MAPKs pathways. So, both these compounds activated Sirt1 and promoted the process of wound healing thus pointing towards the possible role of Sirt1 in skin regeneration and wound healing.

Keywords: skin regeneration, wound healing, Sirt1, UVB light

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Authors: Amir Zeb, Shailima Rampogu, Minky Son, Ayoung Baek, Sang H. Yoon, Keun W. Lee

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Neurotoxic insults activate calpain, which in turn produces truncated p25 from p35. p25 forms hyperactivated Cdk5/p25 complex, and thereby induces severe neuropathological aberrations including hyperphosphorylated tau, neuroinflammation, apoptosis, and neuronal death. Inhibition of Cdk5/p25 complex alleviates aberrant phosphorylation of tau to mitigate AD pathology. PHA-793887 and Roscovitine have been investigated as selective inhibitors of Cdk5/p25 with IC50 values 5nM and 160nM, respectively, but their mechanistic studies remain unknown. Herein, computational simulations have explored the binding mode and interaction mechanism of PHA-793887 and Roscovitine with Cdk5/p25. Docking results suggested that PHA-793887 and Rsocovitine have occupied the ATP-binding site of Cdk5 and obtained highest docking (GOLD) score of 66.54 and 84.03, respectively. Furthermore, molecular dynamics (MD) simulation demonstrated that PHA-793887 and Roscovitine established stable RMSD of 1.09 Å and 1.48 Å with Cdk5/p25, respectively. Profiling of polar interactions suggested that each inhibitor formed hydrogen bonds (H-bond) with catalytic residues of Cdk5 and could remain stable throughout the molecular dynamics simulation. Additionally, binding free energy calculation by molecular mechanics/Poisson–Boltzmann surface area (MM/PBSA) suggested that PHA-793887 and Roscovitine had lowest binding free energies of -150.05 kJ/mol and -113.14 kJ/mol, respectively with Cdk5/p25. Free energy decomposition demonstrated that polar energy by H-bond between the Glu81 of Cdk5 and PHA-793887 is the essential factor to make PHA-793887 highly selective towards Cdk5/p25. Overall, this study provided substantial evidences to explore mechanistic interactions of the selective inhibitors of Cdk5/p25 and could be used as fundamental considerations in the development of structure-based selective inhibitors of Cdk5/p25.

Keywords: Cdk5/p25 inhibition, molecular modeling of Cdk5/p25, PHA-793887 and roscovitine, selective inhibition of Cdk5/p25

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Authors: Samuel Emeka Anarah, Kingsley Nnaemeka Ogbu, Obasi Arinze

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Quantifying the hydrological response due to changes in climate change is imperative for proper management of water resources within a watershed. The impact of climate change on the hydrology of the Upper Ebony River (UER) watershed, South East Nigeria, was studied using the Soil and Water Assessment Tool (SWAT) hydrological model. A climatological time series analysis from 1985 - 2014 using non-parametric test showed significant negative trends in precipitation and relative humidity trend while minimum and maximum temperature, solar radiation and wind speed showed significant positive trends. Future hypothetical land-use change scenarios (Scenarios 1, 2, 3 and 4) representing urbanization and conversion of forest to agricultural land were combined with future downscaled climate model (CSIRO-Mk3-6-0) and simulated in SWAT model. Relative to the Baseline scenario (2005 - 2014), the results showed a decrease in streamflow by 10.29%, 26.20%, 11.80% and 26.72% for Scenarios 1, 2, 3, and 4 respectively. Model results suggest development of adaptation strategies to cope with the predicted hydrological conditions under future climate change in the watershed.

Keywords: climate change, hydrology, runoff, SWAT model

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Authors: Friday Godwin Okibe, Christian Chinweuba Onoyima, Edith Bolanle Agbaji, Victor Olatunji Ajibola

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Polymer-inorganic nanocomposites are presently impacting diverse areas, specifically in biomedical sciences. In this research, hydroxyapatite-sodium alginate has been prepared, and characterized, with emphasis on the influence of sodium alginate on its characteristics. In situ wet chemical precipitation method was used in the preparation. The prepared nanocomposite was characterized with Fourier Transform Infrared spectroscopy (FTIR), Scanning Electron Microscopy (SEM), with image analysis, and X-Ray Diffraction (XRD). The FTIR study shows peaks characteristics of hydroxyapatite and confirmed formation of the nanocomposite via chemical interaction between sodium alginate and hydroxyapatite. Image analysis shows the nanocomposites to be of irregular morphologies which did not show significant change with increasing sodium alginate addition, while particle size decreased with increase in sodium alginate addition (359.46 nm to 109.98 nm). From the XRD data, both the crystallite size and degree of crystallinity also decreased with increasing sodium alginate composition (32.36 nm to 9.47 nm and 72.87% to 1.82% respectively), while the specific surface area and microstrain increased with increasing sodium alginate composition (0.0041 to 0.0139 and 58.99 m²/g to 201.58 m²/g respectively). The results show that the formulation with 50%wt of sodium alginate (HASA-50%wt), possess exceptional characteristics for biomedical applications such as drug delivery.

Keywords: nanocomposite, sodium alginate, hydroxyapatite, biomedical, FTIR, XRD, SEM

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Authors: Sijia Hu

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Tensile creep tests were performed along the normal direction on the as-solutioned (AS) and as-aged (AA) samples of a commercial ZK60 alloy in this work. The results showed that the AA sample obtained a stronger 0.2% proof stress but a poorer creep resistance in comparison to the AS sample. It was revealed that the creep deformation in the AS sample was attributed to basal slip and twinning, while the creep behavior of the AA sample was controlled by basal slip, pyramidal slip and twinning. Besides, the reasons for the poorer creep resistance of the AA sample were unveiled. Pyramidal dislocations towards various moving directions were found to accelerate the creep deformation, and basal dislocations kinking at twin boundaries were found to induce heavy stress concentration. Furthermore, massive dynamic precipitates, including beta 1 prime and beta 2 prime types, were formed in the AS sample during the creep exposure, contributing to the superior creep resistance. But in the AA sample, plentiful beta 1 prime and beta 2 prime phases generated during the prior peak-aging treatment dissolved into the matrix fast and only beta 1 prime re-precipitated during the creep process. With the decreased area fractions of precipitates, the age-hardening effect slacked off and failed to enhance the creep resistance.

Keywords: Mg alloy, creep, precipitation, microstructure

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Authors: Hinda Berghiche, Hamida Benradia, Noureddine Soltani

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Pesticides are widely used in crop production and are known to induce a major contamination of ecosystems especially in aquatic environments. The leaching of a large amount of pollutants derived from agricultural activities (fertilizers, pesticides) might contaminate rivers which diverse into the likes and estuarine and coastal environments affecting several organisms such as crustacean species. In this context, there is searched for new selective insecticides with minimal toxic effects on the environment and human health such as growth insect regulators (GIRs). The current study aimed to examine the impact of novaluron (CE 20%), a potent benzoylphenylurea derivative insecticide on mosquito larvae, against non-target shrimp, Palaemon adspersus (Decapoda, Palaemonidae). The compound was tested at two concentrations (0.91 mg/L and 4.30 mg/L) corresponding respectively to the LC50 and LC90 determined against fourth-instar larvae of Culiseta longiareolata (Diptera, Culicidae). The molting hormone titer was determined in the haemolymph by an enzyme-immunoassay, while chitin was measured in peripheral integument at different stages during the molting cycle. Under normal conditions, the haemolymphatic ecdysteroid concentrations increased during the molting cycle to reach peak at stage D. In the treated series, we note absence of the peak at stage D and an increase at stages B, C and D as compared to the controls. Concerning the chitin amounts, we observe an increase from stage A to stage C followed by a decrease at stage D. Exposition of shrimps to novaluron resulted in a significant decrease of values at all molting stages with a dose-response effect. Thus, the insecticide can present secondary effects on this non-target arthropod species.

Keywords: toxicology, novaluron, crustacean, palaemon adspersus, ecdysteroids, cuticle, chitin

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Authors: Yi Zheng

Abstract:

Improving formability and mechanical properties have always been one of the challenges in the field of additive manufacturing (AM) of nickel-based superalloys. In this work, the effect of a coaxially coupled alternating magnetic field (AMF) on surface morphology and mechanical properties of plasma arc-based additive manufactured Inconel 718 deposit were investigated. Results show that the Lorentz force induced by AMF strongly alters the flow behavior of the plasma jet and the molten pool, suppressing the tendency of the liquid metal in the molten pool to flow down on the two sides face of the deposit, which in turn remarkably improved the surface accuracy of the thin-walled deposit. Furthermore, the electromagnetic stirring induced by AMF can effectively enhance the convection between the dendrites, which could not only contribute to the formation of finer dendrites but also alleviate the enrichment of the elements (i.e., Nb and Mo) at the solid-liquid interface and inhibits the precipitation of Laves phase. The smallest primary dendritic arm spacing (~13 μm) and lowest Laves phases area fraction (3.12%) were witnessed in the bottom region of the AMF-assisted deposit. The mechanical test confirmed that the deposit's micro-hardness and tensile properties were moderately improved compared with the counterpart without AMF.

Keywords: additive manufacturing, inconel 718, alternating magnetic field, laves phase

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Authors: Driouiche Ali, Karmal Ilham

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The Agadir region is characterized by a dry climate, ranging from arid attenuated by oceanic influences to hyper-arid. The water mobilized in the agricultural sector of greater Agadir is 95% of underground origin and comes from the water table of Chtouka. The rest represents the surface waters of the Youssef Ben Tachfine dam. These waters are intended for the irrigation of 26880 hectares of modern agriculture. More than 120 boreholes and wells are currently exploited. Their depth varies between 10 m and 200 m and the unit flow rates of the boreholes are 5 to 50 l/s. A drop in the level of the water table of about 1.5 m/year, on average, has been observed during the last five years. Farmers are thus called upon to improve irrigation methods. Thus, localized or drip irrigation is adopted to allow rational use of water. The importance of this irrigation system is due to the fact that water is applied directly to the root zone and its compatibility with fertilization. However, this irrigation system faces a thorny problem which is the clogging of pipes and drippers. This leads to a lack of uniformity of irrigation over time. This so-called scaling phenomenon, the consequences of which are harmful (cleaning or replacement of pipes), leads to considerable unproductive expenditure. The objective set by this work is the search for green inhibitors likely to prevent this phenomenon of scaling. This study requires a better knowledge of these waters, their physico-chemical characteristics and their scaling power. Thus, using the "LCGE" controlled degassing technique, we initially evaluated, on pure calco-carbonic water at 30°F, the scaling-inhibiting power of some available plant extracts in our region of Souss-Massa. We then carried out a comparative study of the efficacy of these green inhibitors. The action of the most effective green inhibitor on real agricultural waters was then studied.

Keywords: green inhibitors, localized irrigation, plant extracts, scaling inhibition

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Authors: C. Lanzerstorfer

Abstract:

Liquid sprays of water are frequently used in air pollution control for gas cooling purposes and for gas cleaning. Twin-fluid nozzles with internal mixing are often used for these purposes because of the small size of the drops produced. In these nozzles the liquid is dispersed by compressed air or another pressurized gas. In high efficiency scrubbers for particle separation, several nozzles are operated in parallel because of the size of the cross section. In such scrubbers, the scrubbing water has to be re-circulated. Precipitation of some solid material can occur in the liquid circuit, caused by chemical reactions. When such precipitations are detached from the place of formation, they can partly or totally block the liquid flow to a nozzle. Due to the resulting unbalanced supply of the nozzles with water and gas, the efficiency of separation decreases. Thus, the nozzles have to be cleaned if a certain fraction of blockages is reached. The aim of this study was to provide a tool for continuously monitoring the status of the nozzles of a scrubber based on the available operation data (water flow, air flow, water pressure and air pressure). The difference between the air pressure and the water pressure is not well suited for this purpose, because the difference is quite small and therefore very exact calibration of the pressure measurement would be required. Therefore, an equation for the reference air flow of a nozzle at the actual water flow and operation pressure was derived. This flow can be compared with the actual air flow for assessment of the status of the nozzles.

Keywords: condition monitoring, dual flow nozzles, flow equation, operation data

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Authors: Nusaiba Al-Nemrawi, Belal Al-Husein

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Methotrexate (MTX) is a stoichiometric inhibitor of dihydrofolate reductase, which is essential for DNA synthesis. MTX is a chemotherapeutic agent used for treating many types of cancer cells. However, cells’ resistant to MTX is very common and its pharmacokinetic behavior is highly problematic. of MTX within tumor cells, we propose encapsulation of antitumor drugs in nanoparticulated systems. Chitosan (CS) is a naturally occurring polymer that is biocompatibe, biodegradable, non-toxic, cationic and bioadhesive. CS nanoparticles (CS-NPs) have been used as drug carrier for targeted delivery. Titanium dioxide (TiO2), a natural mineral oxide, which is used in biomaterials due to its high stability and antimicrobial and anticorrosive properties. TiO2 showed a potential as a tumor suppressor. In this study a new formulation of MTX loaded in CS NPs (CS-MTX NPs) and coated with Titanium oxide (TiO2) was prepared. The mean particle size, zeta potential, polydispersity index were measured. The interaction between CS NPs and TiO2 NPs was confirmed using FTIR and XRD. CS-MTX NPs was studied in vitro using the tumor cell line MCF-7 (human breast cancer). The results showed that CS-MTX has a size around 169 nm and as they were coated with TiO2, the size ranged between and depending on the ratio of CS-MTX to TiO2 ratio used in the preparation. All NPs (uncoated and coated carried positive charges and were monodispersed. The entrapment efficacy was around 65%. Both FTIR and XRD proved that TiO2 interacted with CS-MTX NPs. The drug invitro release was controlled and sustained over days. Finally, the studied in vitro using the tumor cell line MCF-7 suggested that combining nanomaterials with anticancer drugs CS-MTX NPs may be more effective than free MTX for cancer treatment. In conclusion, the combination of CS-MTX NPs and TiO2 NPs showed excellent time-dependent in vitro antitumor behavior, therefore, can be employed as a promising anticancer agent to attain efficient results towards MCF-7 cells.

Keywords: Methotrexate, Titanium dioxide, Chitosan nanoparticles, cancer

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Authors: Rachna, Uma Shanker

Abstract:

Aromatic phenols, being priority pollutants, are found in various industrial effluents and seeking the attention of environmentalists worldwide, owing to their life-threatening effects. In the present study, the coupling of zinc oxide with Prussian blue was achieved involving co-precipitation synthesis process using Azadirachta indica plant extract. The fabricated nanocatalyst was employed for the sunlight mediated photodegradation of various phenols (Phenol, 3-Aminophenol, and 2,4-Dinitrophenol). Doping of zinc oxide with Prussian blue caused an increase in the surface area to value 80.109 m²g⁻¹ and also enhanced the semiconducting tendency of the nanocomposite with band gap energy 1.101 eV. The experiment was performed at different parameters of phenols concentration, catalyst amount, pH, time, and exposure of sunlight. The obtained results showed a lower elimination of 2,4-DNP (93%) than 3-AP (97%) and phenol (95%) owing to their molecular weight and basicity differences. In comparison to the starting material (zinc oxide and Prussian blue), nanocomposite was more capable in degrading the phenols and lowered the t1/2 value of phenol (4.405 h), 3-AP (4.04 h) and 2,4-DNP (4.68 h) to a greater extent. Effect of different foreign anions was also studied to check nanocomposite’s liability under natural conditions. The extent of charge recombination being the most limiting factor in the photodegradation of pollutants was determined through the photoluminescence. Sunlight active ZnO@FeHCF nanocomposite was proven to exhibit good catalytic ability up to 10 cycles.

Keywords: nanocomposite, phenols, photodegradation, sunlight, water

Procedia PDF Downloads 126

Authors: Vu Dinh Tuan, Truc Xuyen Nguyen Phan, Nguyen Thi Truc Nhi

Abstract:

Cultivating on hillslopes in Northwest Vietnam induced soil erosion that reduce overall soil fertility, capacity of water bodies and drainage ditches or channels, and enhance the risk of flooding, even obstruct traffics and create 'mud flooding or landslide’. This study aimed at assessing the magnitude of erosion under maize monocropping and perennial teak plantation on a rainstorm basic over two years 2010-2011 using double sediment fences installed at convergent point of catchments (slope inclination of 27-74%). Mean annual soil erosion under maize cultivation was 4.39 kg.m⁻², being far greater than that under teak plantation 1.65 kg.m⁻². Intensive tillage in maize monocropping and clearance of land before sowing was most probably the causes induced such effect as no tillage was performed in teak plantation during monitored period. Larger sediment generated across two land use types in year 2010 (4.11 kg.m⁻²) compared to year 2011 (1.87 kg.m⁻²) was attributed to higher amount and intensity of precipitation in the first year (1448 mm) as compared to the latter year (1299 mm). Reducing tillage and establishing good cover for maize monocropping on steep slopes, therefore, are necessary to reduce soil erosion and control sediment delivery to downstream.

Keywords: maize monocropping, teak plantation, tillage, sediment fence, sediment delivery, soil erosion

Procedia PDF Downloads 217

Authors: Amna J. Ghith, Khaled Abu Zid, Khairia Youssef, Nasser Saad

Abstract:

Backgrounds: The multikinase and vascular endothelial growth factor (VEGF) receptor inhibitors interrupt the pathway by which angiogenesis becomes established and promulgated, resulting in the inadequate nourishment of metastatic disease. VEGFR-2 has been the principal target of anti-angiogenic therapies. We disclose the new thieno pyrimidines as inhibitors of VEGFR-2 designed by a molecular modeling approach with increased synergistic activity and decreased side effects. Purpose: 2-substituted thieno pyrimidines are designed and synthesized with anticipated anticancer activity based on its in silico molecular docking study that supports the initial pharmacophoric hypothesis with a same binding mode of interaction at the ATP-binding site of VEGFR-2 (PDB 2QU5) with high docking score. Methods: A series of compounds were designed using discovery studio 4.1/CDOCKER with a rational that mimic the pharmacophoric features present in the reported active compounds that targeted VEGFR-2. An in silico ADMET study was also performed to validate the bioavailability of the newly designed compounds. Results: The Compounds to be synthesized showed interaction energy comparable to or within the range of the benzimidazole inhibitor ligand when docked with VEGFR-2. ADMET study showed comparable results most of the compounds showed absorption within (95-99) zone varying according to different substitutions attached to thieno pyrimidine ring system. Conclusions: A series of 2-subsituted thienopyrimidines are to be synthesized with anticipated anticancer activity and according to docking study structure requirement for the design of VEGFR-2 inhibitors which can act as powerful anticancer agents.

Keywords: docking, discovery studio 4.1/CDOCKER, heterocycles based anticancer agents, 2-subsituted thienopyrimidines

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Authors: Champika S. Kariyawasam

Abstract:

The distribution of gorse (Ulex europaeus) plants in South Australia has been modelled using 126 presence-only location data as a function of seven climate parameters. The predicted range of U. europaeus is mainly along the Mount Lofty Ranges in the Adelaide Hills and on Kangaroo Island. Annual precipitation and yearly average aridity index appeared to be the highest contributing variables to the final model formulation. The Jackknife procedure was employed to identify the contribution of different variables to gorse model outputs and response curves were used to predict changes with changing environmental variables. Based on this analysis, it was revealed that the combined effect of one or more variables could make a completely different impact to the original variables on their own to the model prediction. This work also demonstrates the need for a careful approach when selecting environmental variables for projecting correlative models to climatically distinct area. Maxent acts as a robust model when projecting the fitted species distribution model to another area with changing climatic conditions, whereas the generalized linear model, bioclim, and domain models to be less robust in this regard. These findings are important not only for predicting and managing invasive alien gorse in South Australia and Sri Lanka but also in other countries of the invasive range.

Keywords: invasive species, Maxent, species distribution modelling, Ulex europaeus

Procedia PDF Downloads 134

Authors: Temesgen Geremew

Abstract:

The excessive emission of heavy metal ions from industrial processes poses a serious threat to both the environment and human health. This study presents a distinct approach utilizing (PTh-MnS/CoS NPs) for the highly selective and sensitive detection of Hg²⁺ ions in water. Such detection is crucial for safeguarding human health, protecting the environment, and accurately assessing toxicity. The fabrication method employs a simple and efficient chemical precipitation technique, harmoniously combining polythiophene, MnS, and CoS NPs to create highly active substrates for SERS. The MnS@Hg²⁺ exhibits a distinct Raman shift at 1666 cm⁻¹, enabling specific identification and demonstrating the highest responsiveness among the studied semiconductor substrates with a detection limit of only 1 nM. This investigation demonstrates reliable and practical SERS detection for Hg²⁺ ions. Relative standard deviation (RSD) ranged from 0.49% to 9.8%, and recovery rates varied from 96% to 102%, indicating selective adsorption of Hg²⁺ ions on the synthesized substrate. Furthermore, this research led to the development of a remarkable set of substrates, including (MnS, CoS, MnS/CoS, and PTh-MnS/CoS) nanoparticles were created right there on SiO₂/Si substrate, all exhibiting sensitive, robust, and selective SERS for Hg²⁺ ion detection. These platforms effectively monitor Hg²⁺ concentrations in real environmental samples.

Keywords: surface-enhanced raman spectroscopy (SERS), sensor, mercury ions, nanoparticles, and polythiophene.

Procedia PDF Downloads 81