Search results for: granular activated carbon
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 3743

Search results for: granular activated carbon

2663 Single-Walled Carbon Nanotube Synthesis by Chemical Vapor Deposition Using Platinum-Group Metal Catalysts

Authors: T. Maruyama, T. Saida, S. Naritsuka, S. Iijima

Abstract:

Single-walled carbon nanotubes (SWCNTs) are generally synthesized by chemical vapor deposition (CVD) using Fe, Co, and Ni as catalysts. However, due to the Ostwald ripening of metal catalysts, the diameter distribution of the grown SWCNTs is considerably wide (>2 nm), which is not suitable for electronics applications. In addition, reduction in the growth temperature is desirable for fabricating SWCNT devices compatible with the LSI process. Herein, we performed SWCNT growth by alcohol catalytic CVD using platinum-group metal catalysts (Pt, Rh, and Pd) because these metals have high melting points, and the reduction in the Ostwald ripening of catalyst particles is expected. Our results revealed that web-like SWCNTs were obtained from Pt and Rh catalysts at growth temperature between 500 °C and 600 °C by optimizing the ethanol pressure. The SWCNT yield from Pd catalysts was considerably low. By decreasing the growth temperature, the diameter and chirality distribution of SWCNTs from Pt and Rh catalysts became small and narrow. In particular, the diameters of most SWCNTs grown using Pt catalysts were below 1 nm and their diameter distribution was considerably narrow. On the contrary, SWCNTs can grow from Rh catalysts even at 300 °C by optimizing the growth condition, which is the lowest temperature recorded for SWCNT growth. Our results demonstrated that platinum-group metals are useful for the growth of small-diameter SWCNTs and facilitate low-temperature growth.

Keywords: carbon nanotube, chemical vapor deposition, catalyst, platinum, rhodium, palladium

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2662 Effects of Small Impoundments on Leaf Litter Decomposition and Methane Derived Carbon in the Benthic Foodweb in Streams

Authors: John Gichimu Mbaka, Jan Helmrich Martin von Baumbach, Celia Somlai, Denis Köpfer, Andreas Maeck, Andreas Lorke, Ralf Schäfer

Abstract:

Leaf litter decomposition is an important process providing energy to biotic communities. Additionally, methane gas (CH4) has been identified as an important alternative source of carbon and energy in some freshwater food webs.Flow regulation and dams can strongly alter freshwater ecosystems, but little is known about the effect of small impoundments on leaf litter decomposition and methane derived carbon in streams. In this study, we tested the effect of small water storage impoundments on leaf litter decomposition rates and methane derived carbon. Leaf litter decomposition rates were assessed by comparing treatment sites located close to nine impoundments (Rheinland Pfalz state, Germany) and reference sites located far away from the impoundments.CH4 concentrations were measured in eleven impoundments and correlated with the δ13C values of two subfamilies of chironomid larvae (i.e. Chironomini and Tanypodinae). Leaf litter break down rates were significantly lower in study sites located immediately above the impoundments, especially associated with a reduction in the abundance of shredders. Chironomini larvae had the lower mean δ13C values (‒29.2 to ‒25.5 ‰), than Tanypodinae larvae (‒26.9 to ‒25.3 ‰).No significant relationships were established between CH4 concentrations and δ13C values of chironomids (p> 0.05).Mean δ13C values of chironomid larvae (mean: ‒26.8‰, range: ‒ 29.2‰ to ‒ 25.3‰) were similar to those of sedimentary organic matter (SOM) (mean: ‒28.4‰, range: ‒ 29.3‰ to ‒ 27.1‰) and tree leaf litter (mean: ‒29.8 ‰, range: ‒ 30.5‰ to ‒ 29.1‰). In conclusion, this study demonstrates that small impoundments may have a negative effect on leaf litter decomposition in forest streams and that CH4 has limited influence on the benthic food web in stream impoundments.

Keywords: river functioning, chironomids, Alder tree, stable isotopes, methane oxidation, shredder

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2661 Petrologic and Geochemical Characteristics of Marine Sand Strip in the Proterozoic Chuanlinggou Formation of the North China

Authors: Yue Feng, Chun-jiang Wang, Zhi-long Huang

Abstract:

The study of the sedimentary environment of Mesoproterozoic marine deposits in North China has attracted special attention in recent years. It is not clear that the sedimentary environment and the cause of formation of the sandstone strip and its internal carbonate cements and pyrite in the Mesoproterozoic Chuanlinggou Formation in North China. In this study, drilling core samples in North China were identified by microscopy, and their petrological characteristics such as mineral composition and structure were identified. The geochemical data of carbon and oxygen isotopes, total organic carbon (TOC) contents and total sulfur (TS) contents were obtained by processing and analyzing the samples. The samples are mainly quartz particles with low compositional maturity, combined with low value of TOC, it shows that the sedimentary environment of the sandy clastic is a sandy littoral sedimentary environment with relative strong hydrodynamic force, and then the sandstone strip in black shale are formed by the deposition of gravity flow. Analysis of TS values reflect sandstone bands formed in hypoxic environments. The carbonate cements and the pyrite in the sandstone belt are authigenic. The carbon isotope values of authigenic carbonate cements are negatively biased in comparison with the carbonate isotope of carbonate rocks in the same period, but it is more biased than the carbon isotopic values of anaerobic oxidation of methane (AOM) genetic carbonate rocks. Authigenic pyrite may be mainly due to the formation of HS- by the action of bacterial sulfate reduction (BSR) and Fe²⁺, their causes are in contact. This indicates that authigenic carbonate cements are mainly carbonate precipitates formed but are significantly affected by the effects of AOM. Summary, the sedimentary environment of the sandstone zone in the Chuanlinggou Formation in the North China is a shallow sea facies with iron rich and anoxic.

Keywords: sandstone strip, sedimentary environment, authigenic carbonate cements, authigenic pyrite, The Chuanlinggou group, North China

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2660 Environmental Impact Assessment in Mining Regions with Remote Sensing

Authors: Carla Palencia-Aguilar

Abstract:

Calculations of Net Carbon Balance can be obtained by means of Net Biome Productivity (NBP), Net Ecosystem Productivity (NEP), and Net Primary Production (NPP). The latter is an important component of the biosphere carbon cycle and is easily obtained data from MODIS MOD17A3HGF; however, the results are only available yearly. To overcome data availability, bands 33 to 36 from MODIS MYD021KM (obtained on a daily basis) were analyzed and compared with NPP data from the years 2000 to 2021 in 7 sites where surface mining takes place in the Colombian territory. Coal, Gold, Iron, and Limestone were the minerals of interest. Scales and Units as well as thermal anomalies, were considered for net carbon balance per location. The NPP time series from the satellite images were filtered by using two Matlab filters: First order and Discrete Transfer. After filtering the NPP time series, comparing the graph results from the satellite’s image value, and running a linear regression, the results showed R2 from 0,72 to 0,85. To establish comparable units among NPP and bands 33 to 36, the Greenhouse Gas Equivalencies Calculator by EPA was used. The comparison was established in two ways: one by the sum of all the data per point per year and the other by the average of 46 weeks and finding the percentage that the value represented with respect to NPP. The former underestimated the total CO2 emissions. The results also showed that coal and gold mining in the last 22 years had less CO2 emissions than limestone, with an average per year of 143 kton CO2 eq for gold, 152 kton CO2 eq for coal, and 287 kton CO2 eq for iron. Limestone emissions varied from 206 to 441 kton CO2 eq. The maximum emission values from unfiltered data correspond to 165 kton CO2 eq. for gold, 188 kton CO2 eq. for coal, and 310 kton CO2 eq. for iron and limestone, varying from 231 to 490 kton CO2 eq. If the most pollutant limestone site improves its production technology, limestone could count with a maximum of 318 kton CO2 eq emissions per year, a value very similar respect to iron. The importance of gathering data is to establish benchmarks in order to attain 2050’s zero emissions goal.

Keywords: carbon dioxide, NPP, MODIS, MINING

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2659 Asymmetric of the Segregation-Enhanced Brazil Nut Effect

Authors: Panupat Chaiworn, Soraya lama

Abstract:

We study the motion of particles in cylinders which are subjected to a sinusoidal vertical vibration. We measure the rising time of a large intruder from the bottom of the container to free surface of the bed particles and find that the rising time as a function of intruder density increases to a maximum and then decreases monotonically. The result is qualitatively accord to the previous findings in experiments using relative humidity of the bed particles and found speed convection of the bed particles containers it moving slowly, and the rising time of the intruder where a minimal instead of maximal rising time in the small density region was found. Our experimental results suggest that the topology of the container plays an important role in the Brazil nut effect.

Keywords: granular particles, Brazil nut effect, cylinder container, vertical vibration, convection

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2658 Anti-Phosphorylcholine T Cell Dependent Antibody

Authors: M. M. Rahman, A. Liu, A. Frostegard, J. Frostegard

Abstract:

The human immune system plays an essential role in cardiovascular disease (CVD) and atherosclerosis. Our earlier studies showed that major immunocompetent cells including T cells are activated by phosphorylcholine epitope. Further, we have determined for the first time in a clinical cohort that antibodies against phosphorylcholine (anti-PC) are negatively and independently associated with the development of atherosclerosis and thus a low risk of cardiovascular diseases. It is still unknown whether activated T cells play a role in anti-PC production. Here we aim to clarify the role of T cells in anti-PC production. B cell alone, or with CD3 T, CD4 T or with CD8 T cells were cultured in polystyrene plates to examine anti-PC IgM production. In addition to mixed B cell with CD3 T cell culture, B cells with CD3 T cells were also cultured in transwell co-culture plates. Further, B cells alone and mixed B cell with CD3 T cell cultures with or without anti-HLA 2 antibody were cultured for 6 days. Anti-PC IgM was detected by ELISA in independent experiments. More than 8 fold higher levels of anti-PC IgM were detected by ELISA in mixed B cell with CD3 T cell cultures in comparison to B cells alone. After the co-culture of B and CD3 T cells in transwell plates, there were no increased antibody levels indicating that B and T cells need to interact to augment anti-PC IgM production. Furthermore, anti-PC IgM was abolished by anti-HLA 2 blocking antibody in mixed B and CD3 T cells culture. In addition, the lack of increased anti-PC IgM in mixed B with CD8 T cells culture and the increased levels of anti-PC in mixed B with CD4 T cells culture support the role of helper T cell for the anti-PC IgM production. Atherosclerosis is a major cause of cardiovascular diseases, but anti-PC IgM is a protection marker for atherosclerosis development. Understanding the mechanism involved in the anti-PC IgM regulation could play an important role in strategies to raise anti-PC IgM. Studies suggest that anti-PC is T-cell independent antibody, but our study shows the major role of T cell in anti-PC IgM production. Activation of helper T cells by immunization could be a possible mechanism for raising anti-PC levels.

Keywords: anti-PC, atherosclerosis, aardiovascular diseases, phosphorylcholine

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2657 Functionalization of Single-Walled Nanotubes by Synthesied Pigments

Authors: Shahab Zomorodbakhsh, Hayron Nesa Motevasel

Abstract:

Water soluble compoundes were attached to single-walled carbon nanotubes (SWNTs) to form water-soluble nano pigments. functionalized SWNTs were then characterized by Fourier Transform Infrared spectroscopy (FT-IR), Raman spectroscopy, UV analysis, Transmission electron microscopy (TEM)and defunctionalization test and Representative results concerning the solubility. The product can be dissolved in water and High-resolution transmission electron microscope images showed that the SWNTs were efficiently functionalized, thus the p-stacking interaction between aromatic rings and COOH of SWNTs was considered responsible for the high solubility and High transmission electron in singlewall nanotubes.

Keywords: functionalized CNTs, singlewalled carbon nanotubes, water soluble compoundes, nano pigments

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2656 Additive Carbon Dots Nanocrystals for Enhancement of the Efficiency of Dye-Sensitized Solar Cell in Energy Applications Technology

Authors: Getachew Kuma Watiro

Abstract:

The need for solar energy is constantly increasing and it is widely available on the earth’s surface. Photovoltaic technology is one of the most capable of all viable energy technology and is seen as a promising approach to the control era as it is readily available and has zero carbon emissions. Inexpensive and versatile solar cells have achieved the conversion efficiency and long life of dye-sensitized solar cells, improving the conversion efficiency from the sun to electricity. DSSCs have received a lot of attention for Various potential commercial uses, such as mobile devices and portable electronic devices, as well as integrated solar cell modules. The systematic reviews were used to show the critical impact of additive C-dots in the Dye-Sensitized solar cell for energy application technology. This research focuses on the following methods to synthesize nanoparticles such as facile, polyol, calcination, and hydrothermal technique. In addition to these, there are additives C-dots by the Hydrothermal method. This study deals with the progressive development of DSSC in photovoltaic technology. The applications of single and heterojunction structure technology devices were used (ZnO, NiO, SnO2, and NiO/ZnO/N719) and applied some additives C-dots (ZnO/C-dots /N719, NiO/C-dots /N719, SnO2 /C-dots /N719 and NiO/ZnO/C-dots/N719) and the effects of C-dots were reviewed. More than all, the technology of DSSC with C-dots enhances efficiency. Finally, recommendations have been made for future research on the application of DSSC with the use of these additives.

Keywords: dye-sensitized solar cells, heterojunction’s structure, carbon dot, conversion efficiency

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2655 A Biomimetic Uncemented Hip Resurfacing Versus Various Biomaterials Hip Resurfacing Implants

Authors: Karima Chergui, Hichem Amrani, Hammoudi Mazouz, Fatiha Mezaache

Abstract:

Cemented femoral resurfacings have experienced a revival for younger and more active patients. Future developments have shown that the uncemented version eliminates failures related to cementing implants. A three-dimensional finite element method (FEM) simulation was carried out in order to exploit a new resurfacing prothesis design named MARMEL, proposed by a recent study with Co–Cr–Mo material, for comparing a hip uncemented resurfacing with a novel carbon fiber/polyamide 12 (CF/PA12) composite to other hip resurfacing implants with various bio materials. From FE analysis, the von Mises stress range for the Composite hip resurfacing was much lower than that in the other hip resurfacing implants used in this comparison. These outcomes showed that the biomimetic hip resurfacing had the potential to reduce stress shielding and prevent from bone fracture compared to conventional hip resurfacing implants.

Keywords: biomechanics, carbon–fibre polyamide 12, finite element analysis, hip resurfacing

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2654 In Search of CO₂: Gravity and Magnetic Data for Enhanced Oil Recovery (EOR) Prospect Generation in Central Libya

Authors: Ahmed Saheel

Abstract:

Enhanced oil recovery using carbon dioxide (CO₂-EOR) is a method that can increase oil production beyond what is typically achievable using conventional recovery methods by injecting, and hence storing, carbon dioxide (CO₂) in the oil reservoir. In Libya, plans are under way to source a proportion of this CO₂ from subsurface geology that is known from previous drilling to contain high volumes of CO₂. But first these subsurface volumes need to be more clearly defined and understood. Focusing on the Al-Harouj region of central Libya, ground gravity and airborne magnetic data from the LPI database and the African Magnetic Mapping Project respectively have been prepared and processed by Libyan Petroleum Institute (LPI) and Reid Geophysics Limited (RGL) to produce a range of grids and related products suitable for interpreting geological structure and to make recommendations for subsequent work that will assist CO₂ exploration for purposes of enhanced oil recovery (EOR).

Keywords: gravity, magnetic, deduced lineaments, upward continuation

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2653 NiSe-Ni₃Se₂/Multiwalled Carbon Nanotubes as Efficient Electrocatalysts for the Oxygen Evolution Reaction in Alkaline Media

Authors: Oluwaseun A. Oyetade, Roelof J. Kriek

Abstract:

The development of effective catalysts for the oxygen evolution reaction (OER) is of great importance to combat energy-related concerns in the environment. Herein, we report a one-step solvothermal method employed for the fabrication of nickel selenide hybrids (NiSe-Ni₃Se₂) and a series of nickel selenide hybrid/multiwalled carbon nanotube composites (NiSe-Ni₃Se₂/MWCNT) as electrocatalysts for OER in alkaline media. The catalytic activities of these catalysts were investigated via several electrochemical characterization techniques, such as linear sweep voltammetry, chronoamperometric studies at constant potential, electrochemical surface area determination, and Tafel slope calculation, under alkaline conditions. Morphological observations demonstrated the agglomeration of non-uniform NiSe-Ni₃Se₂ microspheres around carbon nanotubes (CNTs), demonstrating the successful synthesis of NiSe-Ni₃Se₂/MWCNT nanocomposites. Among the tested electrocatalysts, the 20% NiSe-Ni₃Se₂/MWCNT nanocomposite demonstrated the highest activity, exhibiting an overpotential of 325 mV to achieve a current density of 10 mA.cm⁻² in 0.1 mol.dm⁻³ KOH solution. The NiSe-Ni₃Se₂/MWCNT nanocomposites showed improved activity toward OER compared to bare NiSe-Ni₃Se₂ hybrids and MWCNTs, exhibiting an overpotential of 528, 392 and 434 mV for 10%, 30% and 50% NiSe-Ni₃Se₂/MWCNT nanocomposites, respectively. These results compare favourably to the overpotential of noble catalysts, such as RuO₂ and IrO₂. Our results imply that the addition of MWCNTs increased the activity of NiSe-Ni₃Se₂ hybrids due to an increased number of catalytic sites, dispersion of NiSe-Ni₃Se₂ hybrid nanoparticles, and electronic conductivity of the nanocomposites. These nanocomposites also demonstrated better long-term stability compared to NiSe-Ni₃Se₂ hybrids and MWCNTs. Hence, NiSe-Ni₃Se₂/MWCNT nanocomposites possess the potential as effective electrocatalysts for OER in alkaline media.

Keywords: carbon nanotubes, electrocatalysts, nanocomposites, nickel selenide hybrids, oxygen evolution reaction

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2652 Experimental Investigation, Analysis and Optimization of Performance and Emission Characteristics of Composite Oil Methyl Esters at 160 bar, 180 bar and 200 bar Injection Pressures by Multifunctional Criteria Technique

Authors: Yogish Huchaiah, Chandrashekara Krishnappa

Abstract:

This study considers the optimization and validation of experimental results using Multi-Functional Criteria Technique (MFCT). MFCT is concerned with structuring and solving decision and planning problems involving multiple variables. Production of biodiesel from Composite Oil Methyl Esters (COME) of Jatropha and Pongamia oils, mixed in various proportions and Biodiesel thus obtained from two step transesterification process were tested for various Physico-Chemical properties and it has been ascertained that they were within limits proposed by ASTME. They were blended with Petrodiesel in various proportions. These Methyl Esters were blended with Petrodiesel in various proportions and coded. These blends were used as fuels in a computerized CI DI engine to investigate Performance and Emission characteristics. From the analysis of results, it was found that 180MEM4B20 blend had the maximum Performance and minimum Emissions. To validate the experimental results, MFCT was used. Characteristics such as Fuel Consumption (FC), Brake Power (BP), Brake Specific Fuel Consumption (BSFC), Brake Thermal Efficiency (BTE), Carbon dioxide (CO2), Carbon Monoxide (CO), Hydro Carbon (HC) and Nitrogen oxide (NOx) were considered as dependent variables. It was found from the application of this method that the optimized combination of Injection Pressure (IP), Mix and Blend is 178MEM4.2B24. Overall corresponding variation between optimization and experimental results was found to be 7.45%.

Keywords: COME, IP, MFCT, optimization, PI, PN, PV

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2651 Selective Synthesis of Pyrrolic Nitrogen-Doped Carbon Nanotubes Its Physicochemical Properties and Application as Pd Nanoparticles Support

Authors: L. M. Ombaka, R. S. Oosthuizen, P. G. Ndungu, V. O. Nyamori

Abstract:

Understanding the role of nitrogen species on the catalytic properties of nitrogen-doped carbon nanotubes (N-CNTs) as catalysts supports is critical as nitrogen species influence the support’s properties. To evaluate the influence of pyrrolic nitrogen on the physicochemical properties and catalytic activity of N-CNTs supported Pd (Pd/N-CNTs); N-CNTs containing varying pyrrolic contents were synthesized. The catalysts were characterised by the use of transmission electron microscope (TEM), scanning electron microscope, X-ray photoelectron spectroscopy (XPS), X-ray diffraction, Fourier transform infrared spectroscopy, and temperature programmed reduction. TEM analysis showed that the Pd nanoparticles were mainly located along the defect sites on N-CNTs. XPS analysis revealed that the abundance of Pd0 decreased while that of Pd2+ increased as the quantity of pyrrolic nitrogen increased. The increase of Pd2+ species was accredited to the formation of stable Pd-N coordination complexes which prevented further reduction of Pd2+ to Pd0 during synthesis. The formed Pd-N complexes increased the stability and dispersion of Pd2+ nanoparticles. The selective hydrogenation of nitrobenzophenone to aminobenzophenone over Pd/N-CNTs was compared to that of Pd on carbon nanotubes (Pd/CNTs). Pd/N-CNTs showed a higher catalytic activity and selectivity compared with Pd/CNTs. Pyrrolic nitrogen functional groups significantly promoted the selectivity towards aminobenzophenone formation.

Keywords: pyrrolic N-CNTs, hydrogenation reactions, chemical vapour deposition technique

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2650 Measurement of Greenhouse Gas Emissions from Sugarcane Plantation Soil in Thailand

Authors: Wilaiwan Sornpoon, Sébastien Bonnet, Savitri Garivait

Abstract:

Continuous measurements of greenhouse gases (GHGs) emitted from soils are required to understand diurnal and seasonal variations in soil emissions and related mechanism. This understanding plays an important role in appropriate quantification and assessment of the overall change in soil carbon flow and budget. This study proposes to monitor GHGs emissions from soil under sugarcane cultivation in Thailand. The measurements were conducted over 379 days. The results showed that the total net amount of GHGs emitted from sugarcane plantation soil amounts to 36 Mg CO2eq ha-1. Carbon dioxide (CO2) and nitrous oxide (N2O) were found to be the main contributors to the emissions. For methane (CH4), the net emission was found to be almost zero. The measurement results also confirmed that soil moisture content and GHGs emissions are positively correlated.

Keywords: soil, GHG emission, sugarcane, agriculture, Thailand

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2649 Occurrence and Fate of EDCs in Wastewater and Aquatic Environments in the West Bank of Palestine

Authors: Wa`d Odeh, Alon Tal, Alfred Abed Rabbo, Nader Al Khatib, Shai Arnon

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The presence of endocrine disrupting compounds (EDCs) in raw sewage and effluents from wastewater treatment plants (WWTPs) has been increasingly studied in the last few decades. Higher risks are said to characterize situations where raw sewage streams are found to be flowing, or where partial and inadequate wastewater treatment exists. Such conditions are prevalent in the West Bank area of Palestine. To our knowledge, no previous data concerning the occurrence and fate of EDCs in the aquatic environment has ever been systematically evaluated in the region. Hence, the main objective of this study was to identify the occurrence and concentrations of major EDCs in raw sewage, wastewater effluents produced by treatment plants and in the receiving environments, including streams and groundwater in the West Bank, Palestine. Water samples were collected and analyzed for four times during the years of 2013 and 2014. Two large-scale conventional activated sludge WWTPs, two wastewater watercourses, one naturally perennial stream, and five groundwater locations close to wastewater sources were sampled and analyzed by GC/MS following EPA methods (525.2). Five EDCs (estriol, estrone, testosterone, bisphenol A, and octylphenol) were detected in trace concentrations (ng/l) in wastewater streams and at inputs to WWTPs. WWTPs were not able to achieve complete removal of all EDCs, and EDCs were still found in the effluents. In this regard, the most significant environmental estrogenic impact was due to estrone concentrations. Nevertheless, no EDCs were detected in groundwater. Yet, in order for effluents to be reused, significant improvement in treatment infrastructure should be a top priority for environmental managers in the region.

Keywords: endocrine disrupting compounds, raw sewage streams, conventional activated sludge WWTPs, WWTPs effluents

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2648 Influence of Iron Content in Carbon Nanotubes on the Intensity of Hyperthermia in the Cancer Treatment

Authors: S. Wiak, L. Szymanski, Z. Kolacinski, G. Raniszewski, L. Pietrzak, Z. Staniszewska

Abstract:

The term ‘cancer’ is given to a collection of related diseases that may affect any part of the human body. It is a pathological behaviour of cells with the potential to undergo abnormal breakdown in the processes that control cell proliferation, differentiation, and death of particular cells. Although cancer is commonly considered as modern disease, there are beliefs that drastically growing number of new cases can be linked to the extensively prolonged life expectancy and enhanced techniques for cancer diagnosis. Magnetic hyperthermia therapy is a novel approach to cancer treatment, which may greatly contribute to higher efficiency of the therapy. Employing carbon nanotubes as nanocarriers for magnetic particles, it is possible to decrease toxicity and invasiveness of the treatment by surface functionalisation. Despite appearing in recent years, magnetic particle hyperthermia has already become of the highest interest in the scientific and medical environment. The reason why hyperthermia therapy brings so much hope for future treatment of cancer lays in the effect that it produces in malignant cells. Subjecting them to thermal shock results in activation of numerous degradation processes inside and outside the cell. The heating process initiates mechanisms of DNA destruction, protein denaturation and induction of cell apoptosis, which may lead to tumour shrinkage, and in some cases, it may even cause complete disappearance of cancer. The factors which have the major impact on the final efficiency of the treatment include temperatures generated inside the tissues, time of exposure to the heating process, and the character of an individual cancer cell type. The vast majority of cancer cells is characterised by lower pH, persistent hypoxia and lack of nutrients, which can be associated to abnormal microvasculature. Since in healthy tissues we cannot observe presence of these conditions, they should not be seriously affected by elevation of the temperature. The aim of this work is to investigate the influence of iron content in iron filled Carbon Nanotubes on the desired nanoparticles for cancer therapy. In the article, the development and demonstration of the method and the model device for hyperthermic selective destruction of cancer cells are presented. This method was based on the synthesis and functionalization of carbon nanotubes serving as ferromagnetic material nanocontainers. The methodology of the production carbon- ferromagnetic nanocontainers (FNCs) includes the synthesis of carbon nanotubes, chemical, and physical characterization, increasing the content of a ferromagnetic material and biochemical functionalization involving the attachment of the key addresses. The ferromagnetic nanocontainers were synthesised in CVD and microwave plasma system. The research work has been financed from the budget of science as a research project No. PBS2/A5/31/2013.

Keywords: hyperthermia, carbon nanotubes, cancer colon cells, radio frequency field

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2647 Affect of Reservoir Fluctuations on an Active Landslide in the Xiangjiaba Reservoir Area, Southwest China

Authors: Javed Iqbal

Abstract:

Filling of Xiangjiaba Reservoir Lake in Southwest China triggered and re-activated numerous landslides due to water fluctuation. In order to understand the relationship between reservoirs and slope instability, a typical reservoir landslide (Dasha landslide) at right bank of Jinsha River was selected as a case study for in-depth investigations. The detailed field investigations were carried out in order to identify the landslide with respect to its surroundings and to find out the slip-surface. Boreholes were drilled in order to find out the subsurface lithology and the depth of failure of Dasha landslide. The in-situ geotechnical tests were performed, and the soil samples from exposed slip surface were retrieved for geotechnical laboratory analysis. Finally, stability analysis was done using 3D strength reduction method under different conditions of reservoir water level fluctuations and rainfall conditions. The in-depth investigations show that the Dasha landslide is a bedding rockslide which was once activated in 1986. The topography of Dasha landslide is relatively flat, while the back scarp and local terrain are relatively steep. The landslide area is about 29 × 104 m², and the maximum thickness of the landslide deposits revealed by drilling is about 40 m with the average thickness being about 20 m, and the volume is thus estimated being about 580 × 10⁴ m³. Bedrock in the landslide area is composed of Suining Formation of Jurassic age. The main rock type is silty mudstone with sandstone, and bedding orientation is 300~310° ∠ 7~22°. The factor of safety (FOS) of Dasha landslide obtained by 3D strength reduction cannot meet the minimum safety requirement under the working condition of reservoir level fluctuation as designed, with effect of rainfall and rapid drawdown.

Keywords: Dasha landslide, Xiangjiaba reservoir, strength reduction method, bedding rockslide

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2646 Multi-Walled Carbon Nanotubes as Nucleating Agents

Authors: Rabindranath Jana, Plabani Basu, Keka Rana

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Nucleating agents are widely used to modify the properties of various polymers. The rate of crystallization and the size of the crystals have a strong impact on mechanical and optical properties of a polymer. The addition of nucleating agents to the semi-crystalline polymers provides a surface on which the crystal growth can start easily. As a consequence, fast crystal formation will result in many small crystal domains so that the cycle times for injection molding may be reduced. Moreover, the mechanical properties e.g., modulus, tensile strength, heat distortion temperature and hardness may increase. In the present work, multi-walled carbon nanotubes (MWNTs) as nucleating agents for the crystallization of poly (e-caprolactone)diol (PCL). Thus nanocomposites of PCL filled with MWNTs were prepared by solution blending. Differential scanning calorimetry (DSC) tests were carried out to study the effect of CNTs on on-isothermal crystallization of PCL. The polarizing optical microscopy (POM), and wide-angle X-ray diffraction (WAXD) were used to study the morphology and crystal structure of PCL and its nanocomposites. It is found that MWNTs act as effective nucleating agents that significantly shorten the induction period of crystallization and however, decrease the crystallization rate of PCL, exhibiting a remarkable decrease in the Avrami exponent n, surface folding energy σe and crystallization activation energy ΔE. The carbon-based fillers act as templates for hard block chains of PCL to form an ordered structure on the surface of nanoparticles during the induction period, bringing about some increase in equilibrium temperature. The melting process of PCL and its nanocomposites are also studied; the nanocomposites exhibit two melting peaks at higher crystallization temperature which mainly refer to the melting of the crystals with different crystal sizes however, PCL shows only one melting temperature.

Keywords: poly(e-caprolactone)diol, multiwalled carbon nanotubes, composite materials, nonisothermal crystallization, crystal structure, nucleation

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2645 Carbon Capture and Storage Using Porous-Based Aerogel Materials

Authors: Rima Alfaraj, Abeer Alarawi, Murtadha AlTammar

Abstract:

The global energy landscape heavily relies on the oil and gas industry, which faces the critical challenge of reducing its carbon footprint. To address this issue, the integration of advanced materials like aerogels has emerged as a promising solution to enhance sustainability and environmental performance within the industry. This study thoroughly examines the application of aerogel-based technologies in the oil and gas sector, focusing particularly on their role in carbon capture and storage (CCS) initiatives. Aerogels, known for their exceptional properties, such as high surface area, low density, and customizable pore structure, have garnered attention for their potential in various CCS strategies. The review delves into various fabrication techniques utilized in producing aerogel materials, including sol-gel, supercritical drying, and freeze-drying methods, to assess their suitability for specific industry applications. Beyond fabrication, the practicality of aerogel materials in critical areas such as flow assurance, enhanced oil recovery, and thermal insulation is explored. The analysis spans a wide range of applications, from potential use in pipelines and equipment to subsea installations, offering valuable insights into the real-world implementation of aerogels in the oil and gas sector. The paper also investigates the adsorption and storage capabilities of aerogel-based sorbents, showcasing their effectiveness in capturing and storing carbon dioxide (CO₂) molecules. Optimization of pore size distribution and surface chemistry is examined to enhance the affinity and selectivity of aerogels towards CO₂, thereby improving the efficiency and capacity of CCS systems. Additionally, the study explores the potential of aerogel-based membranes for separating and purifying CO₂ from oil and gas streams, emphasizing their role in the carbon capture and utilization (CCU) value chain in the industry. Emerging trends and future perspectives in integrating aerogel-based technologies within the oil and gas sector are also discussed, including the development of hybrid aerogel composites and advanced functional components to further enhance material performance and versatility. By synthesizing the latest advancements and future directions in aerogel used for CCS applications in the oil and gas industry, this review offers a comprehensive understanding of how these innovative materials can aid in transitioning towards a more sustainable and environmentally conscious energy landscape. The insights provided can assist in strategic decision-making, drive technology development, and foster collaborations among academia, industry, and policymakers to promote the widespread adoption of aerogel-based solutions in the oil and gas sector.

Keywords: CCS, porous, carbon capture, oil and gas, sustainability

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2644 Advanced Mouse Cursor Control and Speech Recognition Module

Authors: Prasad Kalagura, B. Veeresh kumar

Abstract:

We constructed an interface system that would allow a similarly paralyzed user to interact with a computer with almost full functional capability. A real-time tracking algorithm is implemented based on adaptive skin detection and motion analysis. The clicking of the mouse is activated by the user's eye blinking through a sensor. The keyboard function is implemented by voice recognition kit.

Keywords: embedded ARM7 processor, mouse pointer control, voice recognition

Procedia PDF Downloads 572
2643 Carbon Emission Reduction by Compact City Construction in Toyama, Japan

Authors: Benyan Jiang, Dawei Xia, Yong Li

Abstract:

Compact city construction is considered as an effective measure to reduce carbon emission in city lives. Toyama City started its compact city strategy in 2000 and was selected as a Japanese Environmental Model City in 2008 for its achievement. This paper takes Toyama as a study case, aiming to find how city polices affected people’s life styles and reduced carbon emission. The main materials used in this study are first-hand documents, like urban planning materials, government annual report and statistic data from transportation association. It is found that the main measures taken by Toyama City include the construction of light rail transit, increasing the frequency of buses, building park and ride parking lots. In addition to hardware facilities, it also offers flexible policies like passengers' coupons for the senior citizens and free use of parking lots by buying shopping vouchers. Besides, Toyama City encourages citizens to live within 500 meters of public transportation. People who buy an apartment near public transportation will receive 500,000 Japanese Yen. These measures have proven to their effects. Compared with 2005, in 2014, the transportation sector reduced emissions of 2.35 million tons of CO₂, 13.6%. This aspect is related to the increase in the number of cars in public transport and also related to fuel improvement.

Keywords: Toyama, compact city, public transportation, CO₂ reduction

Procedia PDF Downloads 138
2642 Polymer Impregnated Sulfonated Carbon Composite as a Solid Acid Catalyst for the Dehydration of Xylose to Furfural

Authors: Praveen K. Khatri, Neha Karanwal, Savita Kaul, Suman L. Jain

Abstract:

Conversion of biomass through green chemical routes is of great industrial importance as biomass is considered to be most widely available inexpensive renewable resource that can be used as a raw material for the production of bio fuel and value-added organic products. In this regard, acid catalyzed dehydration of biomass derived pentose sugar (mainly D-xylose) to furfural is a process of tremendous research interest in current scenario due to the wider industrial applications of furfural. Furfural is an excellent organic solvent for refinement of lubricants and separation of butadiene from butene mixture in synthetic rubber fabrication. In addition it also serve as a promising solvent for many organic materials, such as resins, polymers and also used as a building block for synthesis of various valuable chemicals such as furfuryl alcohol, furan, pharmaceutical, agrochemicals and THF. Here in a sulfonated polymer impregnated carbon composite solid acid catalyst (P-C-SO3H) was prepared by the pyrolysis of a polymer matrix impregnated with glucose followed by its sulfonation and used for the dehydration of xylose to furfural. The developed catalyst exhibited excellent activity and provided almost quantitative conversion of xylose with the selective synthesis of furfural. The higher catalytic activity of P-C-SO3H may be due to the more even distribution of polycyclic aromatic hydrocarbons generated from incomplete carbonization of glucose along the polymer matrix network, leading to more available sites for sulfonation which resulted in greater sulfonic acid density in P-C-SO3H as compared to sulfonated carbon catalyst (C-SO3H). In conclusion, we have demonstrated sulfonated polymer impregnated carbon composite (P-C-SO3H) as an efficient and selective solid acid catalyst for the dehydration of xylose to furfural. After completion of the reaction, the catalyst was easily recovered and reused for several runs without noticeable loss in its activity and selectivity.

Keywords: Solid acid , Biomass conversion, Xylose Dehydration, Heterogeneous catalyst

Procedia PDF Downloads 402
2641 Influences of Thermal Treatments on Dielectric Behaviors of Carbon Nanotubes-BaTiO₃ Hybrids Reinforced Polyvinylidene Fluoride Composites

Authors: Benhui Fan, Fahmi Bedoui, Jinbo Bai

Abstract:

Incorporated carbon nanotube-BaTiO₃ hybrids (H-CNT-BT) with core-shell structure, a better dispersion of CNTs can be achieved in a semi-crystalline polymeric matrix, polyvinylidene fluoride (PVDF). Carried by BT particles, CNTs are easy to mutually connect which helps to obtain an extremely low percolation threshold (fc). After thermal treatments, the dielectric constants (ε’) of samples further increase which depends on the conditions of thermal treatments such as annealing temperatures, annealing durations and cooling ways. Thus, in order to study more comprehensively about the influence of thermal treatments on composite’s dielectric behaviors, in situ synchrotron X-ray is used to detect re-crystalline behavior of PVDF. Results of wide-angle X-ray diffraction (WAXD) and small-angle X-ray scattering (SAXS) show that after the thermal treatment, the content of β polymorph (the polymorph with the highest ε’ among all the polymorphs of PVDF’s crystalline structure) has increased nearly double times at the interfacial region of CNT-PVDF, and the thickness of amorphous layers (La) in PVDF’s long periods (Lp) has shrunk around 10 Å. The evolution of CNT’s network possibly occurs in the procedure of La shrinkage, where the strong interfacial polarization may be aroused and increases ε’ at low frequency. Moreover, an increase in the thickness of crystalline lamella may also arouse more orientational polarization and improve ε’ at high frequency.

Keywords: dielectric properties, thermal treatments, carbon nanotubes, crystalline structure

Procedia PDF Downloads 321
2640 Electro-Fenton Degradation of Erythrosine B Using Carbon Felt as a Cathode: Doehlert Design as an Optimization Technique

Authors: Sourour Chaabane, Davide Clematis, Marco Panizza

Abstract:

This study investigates the oxidation of Erythrosine B (EB) food dye by a homogeneous electro-Fenton process using iron (II) sulfate heptahydrate as a catalyst, carbon felt as cathode, and Ti/RuO2. The treated synthetic wastewater contains 100 mg L⁻¹ of EB and has a pH = 3. The effects of three independent variables have been considered for process optimization, such as applied current intensity (0.1 – 0.5 A), iron concentration (1 – 10 mM), and stirring rate (100 – 1000 rpm). Their interactions were investigated considering response surface methodology (RSM) based on Doehlert design as optimization method. EB removal efficiency and energy consumption were considered model responses after 30 minutes of electrolysis. Analysis of variance (ANOVA) revealed that the quadratic model was adequately fitted to the experimental data with R² (0.9819), adj-R² (0.9276) and low Fisher probability (< 0.0181) for EB removal model, and R² (0.9968), adj-R² (0.9872) and low Fisher probability (< 0.0014) relative to the energy consumption model reflected a robust statistical significance. The energy consumption model significantly depends on current density, as expected. The foregoing results obtained by RSM led to the following optimal conditions for EB degradation: current intensity of 0.2 A, iron concentration of 9.397 mM, and stirring rate of 500 rpm, which gave a maximum decolorization rate of 98.15 % with a minimum energy consumption of 0.74 kWh m⁻³ at 30 min of electrolysis.

Keywords: electrofenton, erythrosineb, dye, response serface methdology, carbon felt

Procedia PDF Downloads 69
2639 Tensile and Bond Characterization of Basalt-Fabric Reinforced Alkali Activated Matrix

Authors: S. Candamano, A. Iorfida, F. Crea, A. Macario

Abstract:

Recently, basalt fabric reinforced cementitious composites (FRCM) have attracted great attention because they result to be effective in structural strengthening and cost/environment efficient. In this study, authors investigate their mechanical behavior when an inorganic matrix, belonging to the family of alkali-activated binders, is used. In particular, the matrix has been designed to contain high amounts of industrial by-products and waste, such as Ground Granulated Blast Furnace Slag (GGBFS) and Fly Ash. Fresh state properties, such as workability, mechanical properties and shrinkage behavior of the matrix have been measured, while microstructures and reaction products were analyzed by Scanning Electron Microscopy and X-Ray Diffractometry. Reinforcement is made up of a balanced, coated bidirectional fabric made out of basalt fibres and stainless steel micro-wire, with a mesh size of 8x8 mm and an equivalent design thickness equal to 0.064 mm. Mortars mixes have been prepared by maintaining constant the water/(reactive powders) and sand/(reactive powders) ratios at 0.53 and 2.7 respectively. An appropriate experimental campaign based on direct tensile tests on composite specimens and single-lap shear bond test on brickwork substrate has been thus carried out to investigate their mechanical behavior under tension, the stress-transfer mechanism and failure modes. Tensile tests were carried out on composite specimens of nominal dimensions equal to 500 mm x 50 mm x 10 mm, with 6 embedded rovings in the loading direction. Direct shear tests (DST) were carried out on brickwork substrate using an externally bonded basalt-FRCM composite strip 10 mm thick, 50 mm wide and a bonded length of 300 mm. Mortars exhibit, after 28 days of curing, an average compressive strength of 32 MPa and flexural strength of 5.5 MPa. Main hydration product is a poorly crystalline aluminium-modified calcium silicate hydrate (C-A-S-H) gel. The constitutive behavior of the composite has been identified by means of direct tensile tests, with response curves showing a tri-linear behavior. Test results indicate that the behavior is mainly governed by cracks development (II) and widening (III) up to failure. The ultimate tensile strength and strain were respectively σᵤ = 456 MPa and ɛᵤ= 2.20%. The tensile modulus of elasticity in stage III was EIII= 41 GPa. All single-lap shear test specimens failed due to composite debonding. It occurred at the internal fabric-to-matrix interface, and it was the result of a fracture of the matrix between the fibre bundles. For all specimens, transversal cracks were visible on the external surface of the composite and involved only the external matrix layer. This cracking appears when the interfacial shear stresses increase and slippage of the fabric at the internal matrix layer interface occurs. Since the external matrix layer is bonded to the reinforcement fabric, it translates with the slipped fabric. Average peak load around 945 N, peak stress around 308 MPa and global slip around 6 mm were measured. The preliminary test results allow affirming that Alkali-Activated Materials can be considered a potentially valid alternative to traditional mortars in designing FRCM composites.

Keywords: Alkali-activated binders, Basalt-FRCM composites, direct shear tests, structural strengthening

Procedia PDF Downloads 124
2638 Investigating the Difference in Stability of Various Isomeric Hydrogen Bonded Dimers

Authors: Mohamed Ayoub

Abstract:

The structures and energetics of various isomeric hydrogen bonded dimers, such as (FH…OC, FH…CO), (FH…CNH, FH…NCH), (FH…N2O, FH…ON2), and (FH…NHCO, FH…OCNH) have been investigated using DFT B3LYP with aug-cc-pVTZ basis set and by natural bond orbital (NBO) analysis. For each isomeric pair we calculated: H-bond energy (ΔEB…H), charge-transfer (QCT), where B is atom bearing lone-pairs in CO, CNH, NCH, N2O, and NHCO, H-bond distances (RB…H), the elongation of HF bond (ΔRHF) and the red-shift of HF stretching frequency (ΔVHF). We conclude that the principle difference in the relative stability between each isomeric pair is attributed to distinctive interaction of carbon and oxygen lone pairs of CO, carbon and nitrogen lone-pairs of CNH and NCH, and nitrogen and oxygen lone pairs of N2O and NHCO into the unfilled antibond on HF (σ*HF).

Keywords: charge transfer, computational chemistry, isomeric hydrogen bond, natural bond orbital

Procedia PDF Downloads 237
2637 Enhanced Thermal, Mechanical and Morphological Properties of CNT/HDPE Nanocomposite Using MMT as Secondary Filler

Authors: M. E. Ali Mohsin, Agus Arsad, Othman Y. Alothman

Abstract:

This study explains the influence of secondary filler on the dispersion of carbon nanotube (CNT) reinforced high density polyethylene (HDPE) nanocomposites (CNT/HDPE). In order to understand the mixed-fillers system, Montmorillonite (MMT) was added to CNT/HDPE nanocomposites. It was followed by investigating their effect on the thermal, mechanical and morphological properties of the aforesaid nanocomposite. Incorporation of 3 wt% each of MMT into CNT/HDPE nanocomposite resulted to the increased values for the tensile and flexural strength, as compared to the pure HDPE matrix. The thermal analysis result showed improved thermal stability of the formulated nanocomposites. Transmission electron microscopy (TEM) images revealed that larger aggregates of CNTs were disappeared upon addition of these two components leading to the enhancement of thermo-mechanical properties for such composites.

Keywords: secondary filler, montmorillonite, carbon nanotube, nanocomposite

Procedia PDF Downloads 358
2636 Increased Cytolytic Activity of Effector T-Cells against Cholangiocarcinoma Cells by Self-Differentiated Dendritic Cells with Down-Regulation of Interleukin-10 and Transforming Growth Factor-β Receptors

Authors: Chutamas Thepmalee, Aussara Panya, Mutita Junking, Jatuporn Sujjitjoon, Nunghathai Sawasdee, Pa-Thai Yenchitsomanus

Abstract:

Cholangiocarcinoma (CCA) is an aggressive malignancy of bile duct epithelial cells in which the standard treatments, including surgery, radiotherapy, chemotherapy, and targeted therapy are partially effective. Many solid tumors including CCA escape host immune responses by creating tumor microenvironment and generating immunosuppressive cytokines such as interleukin-10 (IL-10) and transforming growth factor-β (TGF-β). These cytokines can inhibit dendritic cell (DC) differentiation and function, leading to decreased activation and response of effector CD4+ and CD8+ T cells for cancer cell elimination. To overcome the effects of these immunosuppressive cytokines and to increase ability of DC to activate effector CD4+ and CD8+ T cells, we generated self-differentiated DCs (SD-DCs) with down-regulation of IL-10 and TGF-β receptors for activation of effector CD4+ and CD8+ T cells. Human peripheral blood monocytes were initially transduced with lentiviral particles containing the genes encoding GM-CSF and IL-4 and then secondly transduced with lentiviral particles containing short-hairpin RNAs (shRNAs) to knock-down mRNAs of IL-10 and TGF-β receptors. The generated SD-DCs showed up-regulation of MHC class II (HLA-DR) and co-stimulatory molecules (CD40 and CD86), comparable to those of DCs generated by convention method. Suppression of IL-10 and TGF-β receptors on SD-DCs by specific shRNAs significantly increased levels of IFN-γ and also increased cytolytic activity of DC-activated effector T cells against CCA cell lines (KKU-213 and KKU-100), but it had little effect to immortalized cholangiocytes (MMNK-1). Thus, SD-DCs with down-regulation of IL-10 and TGF-β receptors increased activation of effector T cells, which is a recommended method to improve DC function for the preparation of DC-activated effector T cells for adoptive T-cell therapy.

Keywords: cholangiocarcinoma, IL-10 receptor, self-differentiated dendritic cells, TGF-β receptor

Procedia PDF Downloads 136
2635 Investigating Concentration of Multi-Walled Carbon Nanotubes on Electrochemical Sensors

Authors: Mohsen Adabi, Mahdi Adabi, Reza Saber

Abstract:

The recent advancements in nanomaterials have provided a platform to develop efficient transduction matrices for sensors. Modified electrodes allow to electrochemists to enhance the property of electrode surface and provide desired properties such as improved sensing capabilities, higher electron transfer rate and prevention of undesirable reactions competing kinetically with desired electrode process. Nanostructured electrodes including arrays of carbon nanotubes have demonstrated great potential for the development of electrochemical sensors and biosensors. The aim of this work is to evaluate the concentration of multi-walled carbon nanotubes (MWCNTs) on the conductivity of gold electrode. For this work, raw MWCNTs was functionalized and shortened. Raw and shorten MWCNTs were characterized using transfer electron microscopy (TEM). Next, 0.5, 2 and 3.5 mg of Shortened and functionalized MWCNTs were dispersed in 2 mL Dimethyl formamide (DMF) and cysteamine modified gold electrodes were incubated in the different concentrations of MWCNTs for 8 hours. Then, the immobilization of MWCNTs on cysteamine modified gold electrode was characterized by scanning electron microscopy (SEM) and the effect of MWCNT concentrations on electron transfer of modified electrodes was investigated by cyclic voltammetry (CV). The results demonstrated that CV response of ferricyanide redox at modified gold electrodes increased as concentration of MWCNTs enhanced from 0.5 to 2 mg in 2 mL DMF. This increase can be attributed to the number of MWCNTs which enhance on the surface of cysteamine modified gold electrode as the MWCNTs concentration increased whereas CV response of ferricyanide redox at modified gold electrodes did not changed significantly as the MWCNTs concentration increased from 2 to 3.5 mg in 2 mL DMF. The reason may be that amine groups of cysteamine modified gold electrodes are limited to a given number which can interact with the given number of carboxylic groups of MWCNTs and CV response of ferricyanide redox at modified gold do not enhance after amine groups of cysteamine are saturated with carboxylic groups of MWCNTs.

Keywords: carbon nanotube, cysteamine, electrochemical sensor, gold electrode

Procedia PDF Downloads 462
2634 A Photoredox (C)sp³-(C)sp² Coupling Method Comparison Study

Authors: Shasline Gedeon, Tiffany W. Ardley, Ying Wang, Nathan J. Gesmundo, Katarina A. Sarris, Ana L. Aguirre

Abstract:

Drug discovery and delivery involve drug targeting, an approach that helps find a drug against a chosen target through high throughput screening and other methods by way of identifying the physical properties of the potential lead compound. Physical properties of potential drug candidates have been an imperative focus since the unveiling of Lipinski's Rule of 5 for oral drugs. Throughout a compound's journey from discovery, clinical phase trials, then becoming a classified drug on the market, the desirable properties are optimized while minimizing/eliminating toxicity and undesirable properties. In the pharmaceutical industry, the ability to generate molecules in parallel with maximum efficiency is a substantial factor achieved through sp²-sp² carbon coupling reactions, e.g., Suzuki Coupling reactions. These reaction types allow for the increase of aromatic fragments onto a compound. More recent literature has found benefits to decreasing aromaticity, calling for more sp³-sp² carbon coupling reactions instead. The objective of this project is to provide a comparison between various sp³-sp² carbon coupling methods and reaction conditions, collecting data on production of the desired product. There were four different coupling methods being tested amongst three cores and 4-5 installation groups per method; each method ran under three distinct reaction conditions. The tested methods include the Photoredox Decarboxylative Coupling, the Photoredox Potassium Alkyl Trifluoroborate (BF3K) Coupling, the Photoredox Cross-Electrophile (PCE) Coupling, and the Weix Cross-Electrophile (WCE) Coupling. The results concluded that the Decarboxylative method was very difficult in yielding product despite the several literature conditions chosen. The BF3K and PCE methods produced competitive results. Amongst the two Cross-Electrophile coupling methods, the Photoredox method surpassed the Weix method on numerous accounts. The results will be used to build future libraries.

Keywords: drug discovery, high throughput chemistry, photoredox chemistry, sp³-sp² carbon coupling methods

Procedia PDF Downloads 136