Search results for: carbon nanoparticle
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 3482

Search results for: carbon nanoparticle

662 Improved Performance of Mn Substituted Ceria Nanospheres for Water Gas Shift Reaction: Influence of Preparation Conditions

Authors: Bhairi Lakshminarayana, Surajit Sarker, Ch. Subrahmanyam

Abstract:

The present study reports the development of noble metal free nano catalysts for low-temperature CO oxidation and water gas shift reaction. Mn-substituted CeO2 solid solution catalysts were synthesized by co-precipitation, combustion and hydrothermal methods. The formation of solid solution was confirmed by XRD with Rietveld refinement and the percentage of carbon and nitrogen doping was ensured by CHNS analyzer. Raman spectroscopic confirmed the oxygen vacancies. The surface area, pore volume and pore size distribution confirmed by N2 physisorption analysis, whereas, UV-visible diffuse reflectance spectroscopy and XPS data confirmed the oxidation state of the Mn ion. The particle size and morphology (spherical shape) of the material was confirmed using FESEM and HRTEM analysis. Ce0.8Mn0.2O2-δ was calcined at 400 °C, 600 °C and 800 °C. Raman spectroscopy confirmed that the catalyst calcined at 400 °C has the best redox properties. The activity of the designed catalysts for CO oxidation (0.2 vol%), carried out with GHSV of 21,000 h-1 and it has been observed that co-precipitation favored the best active catalyst towards CO oxidation and water gas shift reaction, due to the high surface area, improved reducibility, oxygen mobility and highest quantity of surface oxygen species. The activation energy of low temperature CO oxidation on Ce0.8Mn0.2O2- δ (combustion) was 5.5 kcal.K-1.mole-1. The designed catalysts were tested for water gas shift reaction. The present study demonstrates that Mn ion substituted ceria at 400 °C calcination temperature prepared by co-precipitation method promise to revive a green sustainable energy production approach.

Keywords: Ce0.8Mn0.2O2-ð, CO oxidation, physicochemical characterization, water gas shift reaction (WGS)

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661 Numerical Study of Splay Anchors in CFRP-Strengthened Concrete Beams

Authors: Asal Pournaghshband, Mohammed A. Zaki

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This paper presents a detailed numerical investigation into the structural performance of splay anchor configurations for strengthening concrete beams with Carbon Fiber Reinforced Polymer (CFRP) sheets. CFRP is widely used in retrofitting concrete structures to improve flexural strength and extend service life. However, premature debonding limits the tensile capacity of CFRP sheets, reducing the effectiveness of these applications. This study addresses this limitation by exploring the potential of splay anchors as an emerging anchorage technique that mitigates debonding issues through improved load transfer mechanisms. Building on existing experimental studies, the research uses ABAQUS software to validate different splay anchor configurations and simulate real-world performance. The parametric study examines key anchor parameters, including diameter, spacing, and embedment depth, to evaluate their effects on bond strength, load distribution, and the flexural capacity of strengthened beams. Systematic analysis of these parameters allows for identifying configurations that enhance debonding resistance and increase the load-carrying capacity of CFRP-strengthened beams. Improved debonding resistance contributes to greater structural durability, reduced maintenance costs, and extended service life for retrofitted structures, particularly relevant for aging infrastructure like bridges and buildings. This approach not only advances sustainable retrofitting practices but also provides practical solutions tailored to infrastructure demands.

Keywords: CFRP strengthening, splay anchors, concrete beams, structural retrofitting, numerical analysis

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660 Development of Mixed Matrix Membranes by Using NH₂-Functionalized UiO-66 and [APTMS][AC] Ionic Liquid for the Separation of CO₂

Authors: Hafiza Mamoona Khalid, Afshan Mujahid, Asif Ali, Asim Laeeq Khan, Mahmood Saleem, Rafael M. Santos

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The ever-escalating CO₂ concentration in the atmosphere calls for accelerated development and deployment of carbon capture processes to reduce emissions. Mixed matrix membranes (MMMs), which are fabricated by incorporating the beneficial properties of highly selective inorganic fillers into a polymer matrix, have exhibited significant progress and the ability to enhance the performance of a membrane for gas separation. In this research, an amine-based ionic liquid (IL) [APTMS][AC] was prepared, which has greater CO₂ affinity and greater solubility due to its amine moiety. The metal–organic framework (MOF) UiO-66 with a multidimensional crystalline structure was used as a filler due to its appropriate porosity and tunable properties, and it was functionalized with NH₂. MOFs were further modified with an IL to prepare UiO-66@IL and UiO-66-NH₂@IL, and MMMs incorporating each MOF were fabricated with the polymer Pebax-1657. All the prepared membranes and MOFs were characterized to predict their separation efficiency. Several characterization techniques, namely, FTIR spectroscopy, XRD, and SEM, were used to successfully synthesize UiO-66@IL and UiO-66-NH₂@IL composites and confirmed proper dispersion and excellent polymer‒ filler compatibility at filler loadings ranging from 0 to 30 wt.%. The separation performances were investigated, and the results showed that the incorporation of RTIL with the highly crystalline structure and large surface area of UiO-66 enhanced the separation efficiency of the membrane. The permeability of CO₂ for all fabricated membranes continuously increased with increasing filler concentration, wherein the permeability was comparatively high for the UiO-66-NH₂ MMMs. The CO₂/CH₄ selectivity improved by 35%, 54%, and 60%, respectively, for UiO-66@IL, UiO-66-NH₂, and UiO-66-NH₂@IL MMMs compared to simple UiO-66 for CO₂/CH₄ and by 28%, 36%, and 63%, respectively, for CO₂/N₂, with an increase in filler loading in the MMMs.

Keywords: gas separation, mixed matrix membranes, CO₂ sequestration, climate change, global warming

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659 Amazonian Native Biomass Residue for Sustainable Development of Isolated Communities

Authors: Bruna C. Brasileiro, José Alberto S. Sá, Brigida R. P. Rocha

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The Amazon region development was related to large-scale projects associated with economic cycles. Economic cycles were originated from policies implemented by successive governments that exploited the resources and have not yet been able to improve the local population's quality of life. These implanted development strategies were based on vertical planning centered on State that didn’t know and showed no interest in know the local needs and potentialities. The future of this region is a challenge that depends on a model of development based on human progress associated to intelligent, selective and environmentally safe exploitation of natural resources settled in renewable and no-polluting energy generation sources – a differential factor of attraction of new investments in a context of global energy and environmental crisis. In this process the planning and support of Brazilian State, local government, and selective international partnership are essential. Residual biomass utilization allows the sustainable development by the integration of production chain and energy generation process which could improve employment condition and income of riversides. Therefore, this research discourses how the use of local residual biomass (açaí lumps) could be an important instrument of sustainable development for isolated communities located at Alcobaça Sustainable Development Reserve (SDR), Tucuruí, Pará State, since in this region the energy source more accessible for who can pay are the fossil fuels that reaches about 54% of final energy consumption by the integration between the açaí productive chain and the use of renewable energy source besides it can promote less environmental impact and decrease the use of fossil fuels and carbon dioxide emissions.

Keywords: Amazon, biomass, renewable energy, sustainability

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658 Electrochemical APEX for Genotyping MYH7 Gene: A Low Cost Strategy for Minisequencing of Disease Causing Mutations

Authors: Ahmed M. Debela, Mayreli Ortiz , Ciara K. O´Sullivan

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The completion of the human genome Project (HGP) has paved the way for mapping the diversity in the overall genome sequence which helps to understand the genetic causes of inherited diseases and susceptibility to drugs or environmental toxins. Arrayed primer extension (APEX) is a microarray based minisequencing strategy for screening disease causing mutations. It is derived from Sanger DNA sequencing and uses fluorescently dideoxynucleotides (ddNTPs) for termination of a growing DNA strand from a primer with its 3´- end designed immediately upstream of a site where single nucleotide polymorphism (SNP) occurs. The use of DNA polymerase offers a very high accuracy and specificity to APEX which in turn happens to be a method of choice for multiplex SNP detection. Coupling the high specificity of this method with the high sensitivity, low cost and compatibility for miniaturization of electrochemical techniques would offer an excellent platform for detection of mutation as well as sequencing of DNA templates. We are developing an electrochemical APEX for the analysis of SNPs found in the MYH7 gene for group of cardiomyopathy patients. ddNTPs were labeled with four different redox active compounds with four distinct potentials. Thiolated oligonucleotide probes were immobilised on gold and glassy carbon substrates which are followed by hybridisation with complementary target DNA just adjacent to the base to be extended by polymerase. Electrochemical interrogation was performed after the incorporation of the redox labelled dedioxynucleotide. The work involved the synthesis and characterisation of the redox labelled ddNTPs, optimisation and characterisation of surface functionalisation strategies and the nucleotide incorporation assays.

Keywords: array based primer extension, labelled ddNTPs, electrochemical, mutations

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657 Study on the Effect of Different Media on Green Roof Water Retention

Authors: Chen Zhi-Wei, Hsieh Wei-Fang

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Taiwan annual rainfall is global average of 2.5 times, plus city excessive development, green constantly to reduced, instead of is big area of artificial base disc, makes Taiwan rainy season during occurred of storm cannot timely of emissions, led to flood constantly, and rain also cannot was retained again using, led to city hydrological balance suffered damage, and to Regulation city of by brings of negative effect, increased green covered rate became most effective of method, and city land limited, so roof green gradually became a alternative program. Green roofs have become one of the Central and local government policy initiatives for urban development, in foreign countries, such as the United States, and Japan, and Singapore etc. Development of roof greening as an important policy, has become a trend of the times. In recent years, many experts and scholars are also on the roof greening all aspects of research, mostly for green roof for the environmental impact of benefits, such as: carbon reduction, cooling, thermostat, but research on the benefits of green roofs under water cut but it is rare. Therefore, this research literature from green roof in to view and analyze what kind of medium suitable for roof greening and use of green base plate combination simulated green roof structure, via different proportions of the medium with water retention plate and drainage board, experiment with different planting base plate combination of water conservation performance. Research will want to test the effect of roof planting base mix, promotion of relevant departments and agencies in future implementation of green roofs, prompted the development of green roofs, which in the end Taiwan achieve sustainable development of the urban environment help.

Keywords: thin-layer roof greening and planting medium, water efficiency

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656 The Impact of Ultrasonicator on the Vertical and Horizontal Mixing Profile of Petrol-Bioethanol

Authors: D. Nkazi, S. E. Iyuke, J. Mulopo

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Increasing global energy demand as well as air quality concerns have in recent years led to the search for alternative clean fuels to replace fossil fuels. One such alternative is the blending of petrol with ethanol, which has numerous advantages such ethanol’s ability to act as oxygenate thus reducing the carbon monoxide emissions from the exhaust of internal combustion engines of vehicles. However, the hygroscopic nature of ethanol is a major concern in obtaining a perfectly homogenized petrol-ethanol fuel. This problem has led to the study of ways of homogenizing the petrol-ethanol mixtures. During the blending process, volumes fraction of ethanol and petrol were studied with respect to the depth within the storage container to confirm homogenization of the blend and time of storage. The results reveal that the density of the mixture was constant. The binodal curve of the ternary diagram shows an increase of homogeneous region, indicating an improved of interaction between water and petrol. The concentration distribution in the reactor showed proof of cavitation formation since in both directions, the variation of concentration with both time and distance was found to be oscillatory. On comparing the profiles in both directions, the concentration gradient, diffusion flux, and energy and diffusion rates were found to be higher in the vertical direction compared to the horizontal direction. It was therefore concluded that ultrasonication creates cavitation in the mixture which enhances mass transfer and mixing of ethanol and petrol. The horizontal direction was found to be the diffusion rate limiting step which proposed that the blender should have a larger height to diameter ratio. It is, however, recommended that further studies be done on the rate-limiting step so as to have actual dimensions of the reactor.

Keywords: ultrasonication, petrol, ethanol, concentration

Procedia PDF Downloads 365
655 Foreign Direct Investment, International Trade and Environment in Bangladesh: An Empirical Study

Authors: Shilpi Tripathi

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After independence, Bangladesh had to learn to survive on its own without any economic crutches (aid). Foreign direct investment (FDI) became a crucial economic tool for the country to become economically independent. The government started removing restrictions to encourage foreign investment, economic growth, international trade, and the environment. FDI is considered as a way to bridge the saving-investment gap, reduce poverty, balance trade, create jobs for its vast labour force, increase foreign exchange earnings and acquire new modern technology and management skills in the country. At the same time, spillovers of foreign investments in Bangladesh, such as low wages (compared to laborers of developed countries), poor working conditions and unbridled exploitation of the domestic resources, environmental externalities, etc., cannot be ignored. The most important adverse implications of FDI inflows noticed are the environmental problems, which are further impacting the health and society of the country. This paper empirically studies the relationship between FDI, economic growth, international trade (exports and Imports), and the environment since 1996. The first part of the paper focuses on the background and trends of FDI, GDP, trade, and environment (CO₂). The second part focuses on the literature review on the relationship between all the variables. The last part of the paper examines the results of empirical analysis like co-integration and Granger causality. The findings of the paper reveal that a uni-directional relationship exists between FDI, CO₂, and international trade (exports and imports). The direction of the causality reveals that FDI inflow is one of the major contributors to high-volume international trade. At the same time, FDI and international trade both are contributing to carbon emissions in Bangladesh. The paper concludes with the policy recommendations that will ensure environmentally friendly trade, investment, and growth in Bangladesh for the future.

Keywords: foreign direct investment, GDP, international trade, CO₂, Granger causality, environment

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654 An Experimental Investigation on the Fuel Characteristics of Nano-Aluminium Oxide and Nano-Cobalt Oxide Particles Blended in Diesel Fuel

Authors: S. Singh, P. Patel, D. Kachhadiya, Swapnil Dharaskar

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The research objective is to integrate nanoparticles into fuels- i.e. diesel, biodiesel, biodiesel blended with diesel, plastic derived fuels, etc. to increase the fuel efficiency. The metal oxide nanoparticles will reduce the carbon monoxide emissions by donating oxygen atoms from their lattices to catalyze the combustion reactions and to aid complete combustion; due to this, there will be an increase in the calorific value of the blend (fuel + metal nanoparticles). Aluminium oxide and cobalt oxide nanoparticles have been synthesized by sol-gel method. The characterization was done by Fourier Transform Infrared Spectroscopy (FTIR), X-Ray Diffraction (XRD), Scanning Electron Microscope (SEM) and Energy Dispersive X-ray Spectroscopy (EDS). The size of the particles was determined by XRD to be 28.6 nm and 28.06 nm for aluminium oxide and cobalt oxide nanoparticles respectively. Different concentration blends- 50, 100, 150 ppm were prepared by adding the required weight of metal oxides in 1 liter of diesel and sonicating for 30 minutes at 500W. The blend properties- calorific value, viscosity, and flash point were determined by bomb calorimeter, Brookfield viscometer and pensky-martin apparatus. For the aluminum oxide blended diesel, there was a maximum increase of 5.544% in the calorific value, but at the same time, there was an increase in the flash point from 43°C to 58.5°C and an increase in the viscosity from 2.45 cP to 3.25 cP. On the other hand, for the cobalt oxide blended diesel there was a maximum increase of 2.012% in the calorific value while the flash point increased from 43°C to 51.5°C and the viscosity increased from 2.45 cP to 2.94 cP. There was a linear increase in the calorific value, viscosity and flash point when the concentration of the metal oxide nanoparticles in the blend was increased. For the 50 ppm Al₂O₃ and 50 ppm Co₃O₄ blend the increasing the calorific value was 1.228 %, and the viscosity changed from 2.45 cP to 2.64 cP and the flash point increased from 43°C to 50.5°C. Clearly the aluminium oxide nanoparticles increase the calorific value but at the cost of flash point and viscosity, thus it is better to use the 50 ppm aluminium oxide, and 50 ppm cobalt oxide blended diesel.

Keywords: aluminium oxide nanoparticles, cobalt oxide nanoparticles, fuel additives, fuel characteristics

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653 Synthesis of Electrospun Polydimethylsiloxane (PDMS)/Polyvinylidene Fluoriure (PVDF) Nanofibrous Membranes for CO₂ Capture

Authors: Wen-Wen Wang, Qian Ye, Yi-Feng Lin

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Carbon dioxide emissions are expected to increase continuously, resulting in climate change and global warming. As a result, CO₂ capture has attracted a large amount of research attention. Among the various CO₂ capture methods, membrane technology has proven to be highly efficient in capturing CO₂, because it can be scaled up, low energy consumptions and small area requirements for use by the gas separation. Various nanofibrous membranes were successfully prepared by a simple electrospinning process. The membrane contactor combined with chemical absorption and membrane process in the post-combustion CO₂ capture is used in this study. In a membrane contactor system, the highly porous and water-repellent nanofibrous membranes were used as a gas-liquid interface in a membrane contactor system for CO₂ absorption. In this work, we successfully prepared the polyvinylidene fluoride (PVDF) porous membranes with an electrospinning process. Afterwards, the as-prepared water-repellent PVDF porous membranes were used for the CO₂ capture application. However, the pristine PVDF nanofibrous membranes were wetted by the amine absorbents, resulting in the decrease in the CO₂ absorption flux, the hydrophobic polydimethylsiloxane (PDMS) materials were added into the PVDF nanofibrous membranes to improve the solvent resistance of the membranes. To increase the hydrophobic properties and CO₂ absorption flux, more hydrophobic surfaces of the PDMS/PVDF nanofibrous membranes are obtained by the grafting of fluoroalkylsilane (FAS) on the membranes surface. Furthermore, the highest CO₂ absorption flux of the PDMS/PVDF nanofibrous membranes is reached after the FAS modification with four times. The PDMS/PVDF nanofibrous membranes with 60 wt% PDMS addition can be a long and continuous operation of the CO₂ absorption and regeneration experiments. It demonstrates the as-prepared PDMS/PVDF nanofibrous membranes could potentially be used for large-scale CO₂ absorption during the post-combustion process in power plants.

Keywords: CO₂ capture, electrospinning process, membrane contactor, nanofibrous membranes, PDMS/PVDF

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652 Synthesis of Fullerene Nanorods for Detection of Ethylparaben an Endocrine Disruptor in Cosmetics

Authors: Jahangir Ahmad Rather, Emad A. Khudaish, Ahsanulhaq Qurashi, Palanisamy Kannan

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Chemical modification and assembling of fullerenes are fundamentally important for the application of fullerenes as functional molecules and in molecular devices and organic electronic devices. We have synthesized fullerene nanorods C60NRs conjugate via liquid-liquid interface and the synthesized C60NRs was characterized by FTIR spectroscopy, field emission electron microscopy (FESEM) and X-ray diffraction techniques. The C60NRs were immobilized on glassy carbon electrode via surface bound diazonium salts as an impact strategy. This method involves electrografting of p–nitrophenyl to give GCE–Ph–NO2 and then the terminal nitro-group was chemically reduced to GCE–Ph–NH2 in a presence of sodium borohydride/gold–polyaniline nanocomposite (NaBH4/Au–PANI). The Au–PANI composite was synthesized and characterized by FTIR, UV-vis, SEM and EDX techniques. The C60NRs were immobilized on GCE–Ph–NH2 via amination reaction which involves N-H addition across a π-bond on [60] fullerene. The immobilized C60NRs/GCE was subjected to electrochemical reduction in 1.0 M KOH to yield ERC60NRs/GCE sensor. The developed sensor shows high electrocatalytic activity for the detection of ethylparaben (EP) over a concentration range from 0.01 to 0.52 µM with a detection limit (LOD) 3.8 nM. The amount of EP present in the nourishing repair cream (OlAY®) was determined by standard addition method at the developed ERC60NRs/GCE sensor. The total concentration of EP was found to be 0.011 µM (0.1%) and is within the permissible limit of 0.19 % EP in cosmetics according to the European scientific committee (SCCS) on consumer safety on 22 March 2011 (SCCS/1348/11).

Keywords: diazonium salt reduction, ethylparaben (EP), endocrine disruptor, fullerene nanorods (C60NRs), gold–polyaniline nanocomposite (Au–PANI)

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651 Behavior of Printing Inks on Historical Documents Subjected to Cold RF Plasma Discharges

Authors: Dorina Rusu, Emil Ghiocel Ioanid, Marta Ursescu, Ana Maria Vlad, Mihaela Popescu

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During the last decades the cold plasma discharges made the subject of numerous studies concerning the applications in the cultural heritage field, especially concentrated on ecological and non-invasive aspect of these conservation procedures. The conservation treatment using cold plasma is based, on the one hand, on the well-known property of plasma discharges to inactivate the contaminant biological species and, on the other hand, on the surface cleaning effect. Moreover the plasma discharge produces the functionalization of the treated surface, allowing subsequent deposition of protective layers. The paper presents the behavior of printing inks on historical documents treated in cold RF plasma. Two types of printing inks were studied, namely red and black ink, used on a religious book published in 19 century. SEM-EDX analysis results in the identification of the two inks as carbon black ink (C presence in the EDX spectrum) and cinnabar based red ink (Hg and S lines in the spectrum), result confirmed by XRF analysis. The experiments have been performed on paper samples written with laboratory- made inks, of similar composition with the inks identified on historical documents. The samples were subjected to RF plasma discharge, operating in nitrogen gaseous medium, at 1.2 MHz frequency and low-pressure (0.5 mbar), performed in a self-designed equipment for the application of conservation treatments on naturally aged paper supports. The impact of plasma discharge on the inks has been evaluated by SEM, XRD and color analysis. The color analysis revealed a slight discoloration of cinnabar ink on the historical document. SEM and XRD analyses have been carried out in an attempt to elucidate the process responsable for color modification.

Keywords: RF plasma, printing inks, historical documents, surface cleaning effect

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650 Consequences of Some Remediative Techniques Used in Sewaged Soil Bioremediation on Indigenous Microbial Activity

Authors: E. M. Hoballah, M. Saber, A. Turky, N. Awad, A. M. Zaghloul

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Remediation of cultivated sewage soils in Egypt become an important aspect in last decade for having healthy crops and saving the human health. In this respect, a greenhouse experiment was conducted where contaminated sewage soil was treated with modified forms of 2% bentonite (T1), 2% kaolinite (T2), 1% bentonite+1% kaolinite (T3), 2% probentonite (T4), 2% prokaolinite (T5), 1% bentonite + 0.5% kaolinite + 0.5% rock phosphate (RP) (T6), 2% iron oxide (T7) and 1% iron oxide + 1% RP (T8). These materials were applied as remediative materials. Untreated soil was also used as a control. All soil samples were incubated for 2 months at 25°C at field capacity throughout the whole experiment. Carbon dioxide (CO2) efflux from both treated and untreated soils as a biomass indicator was measured through the incubation time and kinetic parameters of the best fitted models used to describe the phenomena were taken to evaluate the succession of sewaged soils remediation. The obtained results indicated that according to the kinetic parameters of used models, CO2 effluxes from remediated soils was significantly decreased compared to control treatment with variation in rate values according to type of remediation material applied. In addition, analyzed microbial biomass parameter showed that Ni and Zn were the most potential toxic elements (PTEs) that influenced the decreasing order of microbial activity in untreated soil. Meanwhile, Ni was the only influenced pollutant in treated soils. Although all applied materials significantly decreased the hazards of PTEs in treated soil, modified bentonite was the best treatment compared to other used materials. This work discussed different mechanisms taking place between applied materials and PTEs founded in the studied sewage soil.

Keywords: remediation, potential toxic elements, soil biomass, sewage

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649 Sonodynamic Activity of Porphyrins-SWCNT

Authors: F. Bosca, F. Foglietta, F. Turci, E. Calcio Gaudino, S. Mana, F. Dosio, R. Canaparo, L. Serpe, A. Barge

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In recent years, medical science has improved chemotherapy, radiation therapy and adjuvant therapy and has developed newer targeted therapies as well as refining surgical techniques for removing cancer. However, the chances of surviving the disease depend greatly on the type and location of the cancer and the extent of the disease at the start of treatment. Moreover, mainstream forms of cancer treatment have side effects which range from the unpleasant to the fatal. Therefore, the continuation of progress in anti-cancer therapy may depend on placing emphasis on other existing but less thoroughly investigated therapeutic approaches such as Sonodynamic Therapy (SDT). SDT is based on the local activation of a so called 'sonosensitizer', a molecule able to be excited by ultrasound, the radical production as a consequence of its relaxation processes and cell death due to different mechanisms induced by radical production. The present work deals with synthesis, characterization and preliminary in vitro test of Single Walled Carbon Nanotubes (SWCNT) decorated with porphyrins and biological vectors. The SWCNT’s surface was modified exploiting 1, 3-dipolar cycloaddition or Dies Alder reactions. For this purpose, different porphyrins scaffolds were ad-hoc synthesized using also non-conventional techniques. To increase cellular specificity of porphyrin-conjugated SWCNTs and to improve their ability to be suspended in aqueous solution, the modified nano-tubes were grafted with suitable glutamine or hyaluronic acid derivatives. These nano-sized sonosensitizers were characterized by several methodologies and tested in vitro on different cancer cell lines.

Keywords: sonodynamic therapy, porphyrins synthesis and modification, SWNCT grafting, hyaluronic acid, anti-cancer treatment

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648 An Organocatalytic Construction of Vicinal Tetrasubstituted Stereocenters via Mannich Reaction of 2-Substituted Benzofuran-3-One with Isatin-Derived Ketimine

Authors: Koilpitchai Sivamuthuraman, Venkitasamy Kesavan

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3-substituted 3-amino-2-oxindole skeleton bearing adjacent tetrasubstituted stereogenic centers is of great importance because of these heterocyclic motifs possess a wide range of pharmacological activity. The catalytic asymmetric construction of multi functionalised heterocyclic compound with adjacent tetrasubstituted stereocenters is one of the most difficult tasks in organic synthesis. To date, the most straightforward methodologies have been developed for synthesis of chiral 3-substituted 3-amino-2-oxindoles through the addition of carbon nucleophiles to isatin-derived ketimines. However, only a few successful examples have been described for the assembly of vicinal tetrasubstituted stereocenters using isatin derived ketimines as electrophiles. On the other hand, 2,2-Disubstituted benzofuran-3(2H)-ones and related frameworks are characteristic of a quaternary stereogenic center at C2 position present in quite a number of natural products and bioactive Molecules.Despite the intensive efforts devoted for the construction of 2,2-Disubstituted Benzofuran-3[2H]-one, there are only a few asymmetric methods such as organocatalytic Michael addition and enantioselective halogenations were reported till now. Due to the biological importance of oxindole and benzofuran-3-one, it is proposed here with the synthesis of hybrid molecule containing tetrasubstituted stereo centers through asymmetric organocatalysis. The addition of 2-substituted Benzofuran-3-one(1a) to isatin-derived ketimines(2a) using a bifunctional organocatalyst(catalyst IV or V), leading to chiral heterocyclic compounds containing both 3-amino 2-oxindole and benzofurn-3-one bearing vicinal quaternary stereocenters with good yields and excellent enantioselectivity. The present study extends the scope of the catalytic asymmetric Mannich reaction with isatin-derived ketimines, providing a new class of amino oxindole derivatives having benzofuran-3-one.

Keywords: asymmetric synthesis, benzofuran-3-one, isatin-derived ketimines, quaternary stereocenters

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647 The Determination of the Phosphorous Solubility in the Iron by the Function of the Other Components

Authors: Andras Dezső, Peter Baumli, George Kaptay

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The phosphorous is the important components in the steels, because it makes the changing of the mechanical properties and possibly modifying the structure. The phosphorous can be create the Fe3P compounds, what is segregated in the ferrite grain boundary in the intervals of the nano-, or microscale. This intermetallic compound is decreasing the mechanical properties, for example it makes the blue brittleness which means that the brittle created by the segregated particles at 200 ... 300°C. This work describes the phosphide solubility by the other components effect. We make calculations for the Ni, Mo, Cu, S, V, C, Si, Mn, and the Cr elements by the Thermo-Calc software. We predict the effects by approximate functions. The binary Fe-P system has a solubility line, which has a determinating equation. The result is below: lnwo = -3,439 – 1.903/T where the w0 means the weight percent of the maximum soluted concentration of the phosphorous, and the T is the temperature in Kelvin. The equation show that the P more soluble element when the temperature increasing. The nickel, molybdenum, vanadium, silicon, manganese, and the chromium make dependence to the maximum soluted concentration. These functions are more dependent by the elements concentration, which are lower when we put these elements in our steels. The copper, sulphur and carbon do not make effect to the phosphorous solubility. We predict that all of cases the maximum solubility concentration increases when the temperature more and more high. Between 473K and 673 K, in the phase diagram, these systems contain mostly two or three phase eutectoid, and the singe phase, ferritic intervals. In the eutectoid areas the ferrite, the iron-phosphide, and the metal (III)-phospide are in the equilibrium. In these modelling we predicted that which elements are good for avoid the phosphide segregation or not. These datas are important when we make or choose the steels, where the phosphide segregation stopping our possibilities.

Keywords: phosphorous, steel, segregation, thermo-calc software

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646 Sustainable Approach to Fabricate Titanium Nitride Film on Steel Substrate by Using Automotive Plastics Waste

Authors: Songyan Yin, Ravindra Rajarao, Veena Sahajwalla

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Automotive plastics waste (widely known as auto-fluff or ASR) is a complicated mixture of various plastics incorporated with a wide range of additives and fillers like titanium dioxide, magnesium oxide, and silicon dioxide. Automotive plastics waste is difficult to recycle and its landfilling poses the significant threat to the environment. In this study, a sustainable technology to fabricate protective nanoscale TiN thin film on a steel substrate surface by using automotive waste plastics as titanium and carbon resources is suggested. When heated automotive plastics waste with steel at elevated temperature in a nitrogen atmosphere, titanium dioxide contented in ASR undergo carbothermal reduction and nitridation reactions on the surface of the steel substrate forming a nanoscale thin film of titanium nitride on the steel surface. The synthesis of TiN film on steel substrate under this technology was confirmed by X-ray photoelectron spectrometer, high resolution X-ray diffraction, field emission scanning electron microscope, a high resolution transmission electron microscope fitted with energy dispersive X-ray spectroscopy, and inductively coupled plasma mass spectrometry techniques. This sustainably fabricated TiN film was verified of dense, well crystallized and could provide good oxidation resistance to the steel substrate. This sustainable fabrication technology is maneuverable, reproducible and of great economic and environmental benefit. It not only reduces the fabrication cost of TiN coating on steel surface, but also provides a sustainable environmental solution to recycling automotive plastics waste. Moreover, high value copper droplets and char residues were also extracted from this unique fabrication process.

Keywords: automotive plastics waste, carbonthermal reduction and nitirdation, sustainable, TiN film

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645 Study of Structural Behavior and Proton Conductivity of Inorganic Gel Paste Electrolyte at Various Phosphorous to Silicon Ratio by Multiscale Modelling

Authors: P. Haldar, P. Ghosh, S. Ghoshdastidar, K. Kargupta

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In polymer electrolyte membrane fuel cells (PEMFC), the membrane electrode assembly (MEA) is consisting of two platinum coated carbon electrodes, sandwiched with one proton conducting phosphoric acid doped polymeric membrane. Due to low mechanical stability, flooding and fuel cell crossover, application of phosphoric acid in polymeric membrane is very critical. Phosphorous and silica based 3D inorganic gel gains the attention in the field of supercapacitors, fuel cells and metal hydrate batteries due to its thermally stable highly proton conductive behavior. Also as a large amount of water molecule and phosphoric acid can easily get trapped in Si-O-Si network cavities, it causes a prevention in the leaching out. In this study, we have performed molecular dynamics (MD) simulation and first principle calculations to understand the structural, electronics and electrochemical and morphological behavior of this inorganic gel at various P to Si ratios. We have used dipole-dipole interactions, H bonding, and van der Waals forces to study the main interactions between the molecules. A 'structure property-performance' mapping is initiated to determine optimum P to Si ratio for best proton conductivity. We have performed the MD simulations at various temperature to understand the temperature dependency on proton conductivity. The observed results will propose a model which fits well with experimental data and other literature values. We have also studied the mechanism behind proton conductivity. And finally we have proposed a structure for the gel paste with optimum P to Si ratio.

Keywords: first principle calculation, molecular dynamics simulation, phosphorous and silica based 3D inorganic gel, polymer electrolyte membrane fuel cells, proton conductivity

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644 Crooked Wood: Finding Potential in Local Hardwood

Authors: Livia Herle

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A large part of the Principality of Liechtenstein is covered by forest. Three-quarters of this forest is defined as protective due to the alpine landscape of the country, which is deteriorating the quality of the wood. Nevertheless, the forest is one of the most important sources of raw material. However, out of the wood harvested annually in Liechtenstein, about two-thirds are used directly as an energy source, drastically shortening up the carbon storage cycle of wood. Furthermore, due to climate change, forest structures are changing. Predictions for the forest in Liechtenstein have stated that the spruce will mostly vanish in low altitudes, only being able to survive in the higher regions. In contrast, hardwood species will experience a rise, resulting in a more mixed forest. Thus, the main research focus will be put upon the potential of hardwood as well as prolonging the lifespan of a timber log before ending up as an energy source. An analysis of the local occurrence of hardwood species and their quality will serve as a tool to implement this knowledge upon constructional solutions. As a system that works with short spam timber and thus qualifies for the regional conditions of hardwood, reciprocal frame systems will be further investigated. These can be defined as load-bearing structures with only two beams connecting at a time, avoiding complex joining situations. Furthermore, every beam is mutually supporting. This allows the usage of short pieces of preferably massive wood. As a result, the system permits for an easy assembly but also disassembly. To promote a more circular application of wood, possible cascading scenarios of the structural solutions will be added. In a workshop at the School of Architecture of the University of Liechtenstein in the Sommer Semester 2024, prototypes in 1:1 of reciprocal frame systems using only local hardwood will help as a tool to further test the theoretical analyses.

Keywords: hardwood, cascading wood, reciprocal frames, crooked wood, forest structures, climate change

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643 Sustainability Assessment of a Deconstructed Residential House

Authors: Atiq U. Zaman, Juliet Arnott

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This paper analyses the various benefits and barriers of residential deconstruction in the context of environmental performance and circular economy based on a case study project in Christchurch, New Zealand. The case study project “Whole House Deconstruction” which aimed, firstly, to harvest materials from a residential house, secondly, to produce new products using the recovered materials, and thirdly, to organize an exhibition for the local public to promote awareness on resource conservation and sustainable deconstruction practices. Through a systematic deconstruction process, the project recovered around 12 tonnes of various construction materials, most of which would otherwise be disposed of to landfill in the traditional demolition approach. It is estimated that the deconstruction of a similar residential house could potentially prevent around 27,029 kg of carbon emission to the atmosphere by recovering and reusing the building materials. In addition, the project involved local designers to produce 400 artefacts using the recovered materials and to exhibit them to accelerate public awareness. The findings from this study suggest that the deconstruction project has significant environmental benefits, as well as social benefits by involving the local community and unemployed youth as a part of their professional skills development opportunities. However, the project faced a number of economic and institutional challenges. The study concludes that with proper economic models and appropriate institutional support a significant amount of construction and demolition waste can be reduced through a systematic deconstruction process. Traditionally, the greatest benefits from such projects are often ignored and remain unreported to wider audiences as most of the external and environmental costs have not been considered in the traditional linear economy.

Keywords: circular economy, construction and demolition waste, resource recovery, systematic deconstruction, sustainable waste management

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642 The Results of Longitudinal Water Quality Monitoring of the Brandywine River, Chester County, Pennsylvania by High School Students

Authors: Dina L. DiSantis

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Strengthening a sense of responsibility while relating global sustainability concepts such as water quality and pollution to a local water system can be achieved by teaching students to conduct and interpret water quality monitoring tests. When students conduct their own research, they become better stewards of the environment. Providing outdoor learning and place-based opportunities for students helps connect them to the natural world. By conducting stream studies and collecting data, students are able to better understand how the natural environment is a place where everything is connected. Students have been collecting physical, chemical and biological data along the West and East Branches of the Brandywine River, in Pennsylvania for over ten years. The stream studies are part of the advanced placement environmental science and aquatic science courses that are offered as electives to juniors and seniors at the Downingtown High School West Campus in Downingtown, Pennsylvania. Physical data collected includes: temperature, turbidity, width, depth, velocity, and volume of flow or discharge. The chemical tests conducted are: dissolved oxygen, carbon dioxide, pH, nitrates, alkalinity and phosphates. Macroinvertebrates are collected with a kick net, identified and then released. Students collect the data from several locations while traveling by canoe. In the classroom, students prepare a water quality data analysis and interpretation report based on their collected data. The summary of the results from longitudinal water quality data collection by students, as well as the strengths and weaknesses of student data collection will be presented.

Keywords: place-based, student data collection, sustainability, water quality monitoring

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641 The Potential in the Use of Building Information Modelling and Life-Cycle Assessment for Retrofitting Buildings: A Study Based on Interviews with Experts in Both Fields

Authors: Alex Gonzalez Caceres, Jan Karlshøj, Tor Arvid Vik

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Life cycle of residential buildings are expected to be several decades, 40% of European residential buildings have inefficient energy conservation measure. The existing building represents 20-40% of the energy use and the CO₂ emission. Since net zero energy buildings are a short-term goal, (should be achieved by EU countries after 2020), is necessary to plan the next logical step, which is to prepare the existing outdated stack of building to retrofit them into an energy efficiency buildings. In order to accomplish this, two specialize and widespread tool can be used Building Information Modelling (BIM) and life-cycle assessment (LCA). BIM and LCA are tools used by a variety of disciplines; both are able to represent and analyze the constructions in different stages. The combination of these technologies could improve greatly the retrofitting techniques. The incorporation of the carbon footprint, introducing a single database source for different material analysis. To this is added the possibility of considering different analysis approaches such as costs and energy saving. Is expected with these measures, enrich the decision-making. The methodology is based on two main activities; the first task involved the collection of data this is accomplished by literature review and interview with experts in the retrofitting field and BIM technologies. The results of this task are presented as an evaluation checklist of BIM ability to manage data and improve decision-making in retrofitting projects. The last activity involves an evaluation using the results of the previous tasks, to check how far the IFC format can support the requirements by each specialist, and its uses by third party software. The result indicates that BIM/LCA have a great potential to improve the retrofitting process in existing buildings, but some modification must be done in order to meet the requirements of the specialists for both, retrofitting and LCA evaluators.

Keywords: retrofitting, BIM, LCA, energy efficiency

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640 Evaluation of Biological Seed Coating Technology On-Field Performance of Wheat in Regenerative Agriculture and Conventional Systems

Authors: S. Brain, P. J. Storer, H. Strydom, Z. M. Solaiman

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Increasing farmer awareness of soil health, the impact of agricultural management practices, and the requirement for high-quality agricultural produce are major factors driving the rapid adoption of biological seed treatments - currently valued globally at USD 1.5 billion. Biological seed coatings with multistrain plant beneficial microbial technology have the capability to affect plant establishment, growth, and development positively. These beneficial plant microbes can potentially increase soil health, plant yield, and nutrition – acting as bio fertilisers, rhizoremediators, phytostimulators, and stress modulators, and can ultimately reduce the overall use of agrichemicals. A field trial was conducted on MACE wheat in the central wheat belt of Western Australia to evaluate a proprietary seed coating technology (Langleys Bio-EnergeticTM Microbe blend (BMB)) on a conventional program (+/- BMB microbes) and a Regenerative Biomineral fertiliser program (+/- BMB microbes). The Conventional (+BMB) and Biomineral (+BMB) treated plants had no fungicide treatments and had no disease issues. Control (No fertiliser, No microbes), Conventional (No Microbes), and Biomineral (No Microbes) were treated with fungicides (seed dressing and foliar). From the research findings, compared to control and no microbe treatments, both the Conventional (+ BMB) and Biomineral (+ BMB) showed significant increases in Soil Carbon (SOC), Seed germination, nutrient use efficiency (NUE) of nitrogen, phosphate and mineral nutrients, grain mineral nutrient uptake, protein %, hectolitre weight, and fewer screenings, yield, and gross margins.

Keywords: biological seed coating, biomineral fertiliser, plant nutrition, regenerative and conventional agriculture

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639 Management of Distillery Spentwash to Enhance Productivity of Dryland Crops and Reduce Environmental Pollution: A Case Study in Southern Dry Zone of Karnataka, India

Authors: A. Sathish, N. N. Lingaraju, K. N. Geetha, C. A. Srinivasamurthy, S. Bhaskar

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Under dryland conditions, it is observed that the soil organic matter is low due to low organic carbon content due to poor management with less use of inputs. On the other hand, disposal of sugar industry waste, i.e., spentwash is a major concern with limited space for land based treatment and disposal which causes environmental pollution. Spentwash is also a resource that can be applied for productive uses since it contains nutrients that have the potential for use in agriculture. The disposal of spent wash may lead to environmental pollution. Hence as an alternative mechanism, it was applied once to dry lands, and the experiments were conducted from 2012-13 to 2016-17 in kharif season in Maddur Taluk, Mandya District, Karnataka State, India. The study conducted was in 93 different farmers field (maize-11, finger millet-80 & horsegram-14). Spentwash was applied at the rate of 100 m³ ha⁻¹ before sowing of the crops. The results showed that yield of dryland crops like finger millet, horse gram and maize was recorded 14.75 q ha⁻¹, 6 q ha⁻¹ and 31.00 q ha⁻¹, respectively and the yield increase to an extent of 10-25 per cent with one time application of spentwash to dry lands compared to farmers practice, i.e., chemical fertilizer application. The higher yield may be attributed to slow and steady release of nutrients by spentwash throughout the crop growth period. In addition, the growth promoting and other beneficial substances present in spentwash might have also helped in better plant growth and yield. The soil sample analysis after harvest of the crops indicate acidic to neutral pH, EC of 0.11 dSm⁻¹ and Na of 0.20 C mol (P⁺) kg⁻¹ in the normal range which are not harmful. Hence, it can be applied to drylands at least once in 3 years which enhances yield as well as reduces environmental pollution.

Keywords: dryland crops, pollution, sugar industry waste, spentwash

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638 Diffuse CO₂ Degassing to Study Blind Geothermal Systems: The Acoculco, Puebla (Mexico) Case Study

Authors: Mirna Guevara, Edgar Santoyo, Daniel Perez-Zarate, Erika Almirudis

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The Acoculco caldera located in Puebla (Mexico) has been preliminary identified as a blind hot-dry rock geothermal system. Two drilled wells suggest the existence of high temperatures >300°C and non-conventional tools are been applied to study this system. A comprehensive survey of soil-gas (CO₂) flux measurements (1,500 sites) was carried out during the dry seasons over almost two years (2015 and 2016). Isotopic analyses of δ¹³CCO₂ were performed to discriminate the origin source of the CO2 fluxes. The soil CO2 flux measurements were made in situ by the accumulation chamber method, whereas gas samples for δ13CCO2 were selectively collected from the accumulation chamber with evacuated gas vials via a septum. Two anomalous geothermal zones were identified as a result of these campaigns: Los Azufres (19°55'29.4'' N; 98°08'39.9'' W; 2,839 masl) and Alcaparrosa (19°55'20.6'' N; 98°08'38.3'' W; 2,845 masl). To elucidate the origin of the C in soil CO₂ fluxes, the isotopic signature of δ¹³C was used. Graphical Statistical Analysis (GSA) and a three end-member mixing diagram were used to corroborate the presence of distinctive statistical samples, and trends for the diffuse gas fluxes. Spatial and temporal distributions of the CO₂ fluxes were studied. High CO₂ emission rates up to 38,217 g/m2/d and 33,706 g/m2/d were measured for the Los Azufres and Alcaparrosa respectively; whereas the δ¹³C signatures showed values ranging from -3.4 to -5.5 o/oo for both zones, confirming their magmatic origin. This study has provided a valuable framework to set the direction of further exploration campaigns in the Acoculco caldera. Acknowledgements: The authors acknowledge the funding received from CeMIE-Geo P09 project (SENER-CONACyT).

Keywords: accumulation chamber method, carbon dioxide, diffusive degassing, geothermal exploration

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637 [Keynote Talk]: Quest for Sustainability in the Midst of Conflict Between Climate and Energy Security

Authors: Deepak L. Waikar

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Unprecedented natural as well as human made disasters have been responsible for loss of hundreds of thousands of lives, injury & displacement of millions of people and damages in billions of dollars in various parts of the world. Scientists, experts, associations and united nation have been warning about colossal disregard for human safety and environment in exploiting natural resources for insatiable greed for economic growth and rising lavish life style of the rich. Usual blame game is routinely played at international forums & summits by vested interests in developing and developed nations, while billions of people continue to suffer in abject energy poverty. Energy security, on the other hand, is becoming illusive with the dominance of few players in the market, poor energy governance mechanisms, volatile prices and geopolitical conflicts in supply chain. Conflicting scenarios have been cited as one of the major barriers for transformation to a low carbon economy. Policy makers, researchers, academics, businesses, industries and communities have been evaluating sustainable alternatives, albeit at snail’s pace. This presentation focuses on technologies, energy governance, policies & practices, economics and public concerns about safe, prudent & sustainable harnessing of energy resources. Current trends and potential research & development projects in power & energy sectors which students can undertake will be discussed. Speaker will highlight on how youths can be engaged in meaningful, safe, enriching, inspiring and value added self-development programmes in our quest for sustainability in the midst of conflict between climate and energy security.

Keywords: clean energy, energy policy, energy security, sustainable energy

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636 Partial Replacement for Cement and Coarse Aggregate in Concrete by Using Egg Shell Powder and Coconut Shell

Authors: A. K. Jain, M. C. Paliwal

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The production of cement leads to the emission of large amounts of carbon-dioxide gas into the atmosphere which is a major contributor for the greenhouse effect and the global warming; hence it is mandatory either to quest for another material or partly replace it with some other material. According to the practical demonstrations and reports, Egg Shell Powder (ESP) can be used as a binding material for different field applications as it contains some of the properties of lime. It can partially replace the cement and further; it can be used in different proportion for enhancing the performance of cement. It can be used as a first-class alternative, for material reuse and waste recycling practices. Eggshell is calcium rich and analogous to limestone in chemical composition. Therefore, use of eggshell waste for partial replacement of cement in concrete is feasible. Different studies reveal that plasticity index of the soil can be improved by adding eggshell wastes in all the clay soil and it has wider application in construction projects including earth canals and earthen dams. The scarcity of aggregates is also increasing nowadays. Utilization of industrial waste or secondary materials is increasing in different construction applications. Coconut shell was successfully used in the construction industry for partial or full replacement for coarse aggregates. The use of coconut shell gives advantage of using waste material to partially replace the coarse aggregate. Studies carried on coconut shell indicate that it can partially replace the aggregate. It has good strength and modulus properties along with the advantage of high lignin content. It absorbs relatively low moisture due to its low cellulose content. In the paper, study carried out on eggshell powder and coconut shell will be discussed. Optimum proportions of these materials to be used for partial replacement of cement and aggregate will also be discussed.

Keywords: greenhouse, egg shell powder, binding material, aggregates, coconut shell, coarse aggregates

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635 Solvent-Free Conductive Coatings Containing Chemically Coupled Particles for Functional Textiles

Authors: Jagadeshvaran P. L., Kamlesh Panwar, Indumathi Ramakrishnan, Suryasarathi Bose

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The surge in the usage of wireless electronics and communication devices has engendered a different form of pollution, viz. the electromagnetic (EM) pollution and yet another serious issue, electromagnetic interference (EMI). There is a legitimate need to develop strategies and materials to combat this issue, otherwise leading to dreadful consequences. Functional textiles have emerged as the modern materials to help attenuate EM waves due to the numerous advantages – flexibility being the most important. In addition to this, there is an inherent advantage of multiple interfaces in coated fabrics that can engender significant attenuation. Herein we report a coating having multifunctional properties – capable of blocking both UV and EM radiation (predominantly of the microwave frequencies) with flame-retarding properties. The layer described here comprises iron titanate(FT) synthesized from its sustainable precursor – ilmenite sand and carbon nanotubes (CNT) dispersed in waterborne polyurethane. It is worth noting that FT's use as a multifunctional material is being reported for the first time. It was observed that a single layer of coated fabric shows EMI shielding effectiveness of -40 dB translating to 99.99% attenuation and similarly a UV blocking of 99.99% in the wavelength ranging from 200-400 nm. The microwave shielding properties of the fabric were demonstrated using a Bluetooth module – where the coated fabric was able to block the incoming Bluetooth signals to the module from a mobile phone. Besides, the coated fabrics exhibited phenomenal enhancement in thermal stability - a five percent increase in the limiting oxygen index (LOI) was observed upon the application of the coating. Such exceptional properties complement cotton fabrics' existing utility, thereby extending their use to specialty applications.

Keywords: multifunctional coatings, EMI shielding, UV blocking, iron titanate, CNT, waterborne polyurethane, cotton fabrics

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634 A Detailed Computational Investigation into Copper Catalyzed Sonogashira Coupling Reaction

Authors: C. Rajalakshmi, Vibin Ipe Thomas

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Sonogashira coupling reactions are widely employed in the synthesis of molecules of biological and pharmaceutical importance. Copper catalyzed Sonogashira coupling reactions are gaining importance owing to the low cost and less toxicity of copper as compared to the palladium catalyst. In the present work, a detailed computational study has been carried out on the Sonogashira coupling reaction between aryl halides and terminal alkynes catalyzed by Copper (I) species with trans-1, 2 Diaminocyclohexane as ligand. All calculations are performed at Density Functional Theory (DFT) level, using the hybrid Becke3LYP functional. Cu and I atoms are described using an effective core potential (LANL2DZ) for the inner electrons and its associated double-ζ basis set for the outer electrons. For all other atoms, 6-311G+* basis set is used. We have identified that the active catalyst species is a neutral 3-coordinate trans-1,2 diaminocyclohexane ligated Cu (I) alkyne complex and found that the oxidative addition and reductive elimination occurs in a single step proceeding through one transition state. This is owing to the ease of reductive elimination involving coupling of Csp2-Csp carbon atoms and the less stable Cu (III) intermediate. This shows the mechanism of copper catalyzed Sonogashira coupling reactions are quite different from those catalyzed by palladium. To gain further insights into the mechanism, substrates containing various functional groups are considered in our study to traverse their effect on the feasibility of the reaction. We have also explored the effect of ligand on the catalytic cycle of the coupling reaction. The theoretical results obtained are in good agreement with the experimental observation. This shows the relevance of a combined theoretical and experimental approach for rationally improving the cross-coupling reaction mechanisms.

Keywords: copper catalysed, density functional theory, reaction mechanism, Sonogashira coupling

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633 Sustainable Antimicrobial Biopolymeric Food & Biomedical Film Engineering Using Bioactive AMP-Ag+ Formulations

Authors: Eduardo Lanzagorta Garcia, Chaitra Venkatesh, Romina Pezzoli, Laura Gabriela Rodriguez Barroso, Declan Devine, Margaret E. Brennan Fournet

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New antimicrobial interventions are urgently required to combat rising global health and medical infection challenges. Here, an innovative antimicrobial technology, providing price competitive alternatives to antibiotics and readily integratable with currently technological systems is presented. Two cutting edge antimicrobial materials, antimicrobial peptides (AMPs) and uncompromised sustained Ag+ action from triangular silver nanoplates (TSNPs) reservoirs, are merged for versatile effective antimicrobial action where current approaches fail. Antimicrobial peptides (AMPs) exist widely in nature and have recently been demonstrated for broad spectrum of activity against bacteria, viruses, and fungi. TSNP’s are highly discrete, homogenous and readily functionisable Ag+ nanoreseviors that have a proven amenability for operation within in a wide range of bio-based settings. In a design for advanced antimicrobial sustainable plastics, antimicrobial TSNPs are formulated for processing within biodegradable biopolymers. Histone H5 AMP was selected for its reported strong antimicrobial action and functionalized with the TSNP (AMP-TSNP) in a similar fashion to previously reported TSNP biofunctionalisation methods. A synergy between the propensity of biopolymers for degradation and Ag+ release combined with AMP activity provides a novel mechanism for the sustained antimicrobial action of biopolymeric thin films. Nanoplates are transferred from aqueous phase to an organic solvent in order to facilitate integration within hydrophobic polymers. Extrusion is used in combination with calendering rolls to create thin polymerc film where the nanoplates are embedded onto the surface. The resultant antibacterial functional films are suitable to be adapted for food packing and biomedical applications. TSNP synthesis were synthesized by adapting a previously reported seed mediated approach. TSNP synthesis was scaled up for litre scale batch production and subsequently concentrated to 43 ppm using thermally controlled H2O removal. Nanoplates were transferred from aqueous phase to an organic solvent in order to facilitate integration within hydrophobic polymers. This was acomplised by functionalizing the TSNP with thiol terminated polyethylene glycol and using centrifugal force to transfer them to chloroform. Polycaprolactone (PCL) and Polylactic acid (PLA) were individually processed through extrusion, TSNP and AMP-TSNP solutions were sprayed onto the polymer immediately after exiting the dye. Calendering rolls were used to disperse and incorporate TSNP and TSNP-AMP onto the surface of the extruded films. Observation of the characteristic blue colour confirms the integrity of the TSNP within the films. Antimicrobial tests were performed by incubating Gram + and Gram – strains with treated and non-treated films, to evaluate if bacterial growth was reduced due to the presence of the TSNP. The resulting films successfully incorporated TSNP and AMP-TSNP. Reduced bacterial growth was observed for both Gram + and Gram – strains for both TSNP and AMP-TSNP compared with untreated films indicating antimicrobial action. The largest growth reduction was observed for AMP-TSNP treated films demonstrating the additional antimicrobial activity due to the presence of the AMPs. The potential of this technology to impede bacterial activity in food industry and medical surfaces will forge new confidence in the battle against antibiotic resistant bacteria, serving to greatly inhibit infections and facilitate patient recovery.

Keywords: antimicrobial, biodegradable, peptide, polymer, nanoparticle

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