Search results for: substitution method
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 19235

Search results for: substitution method

19175 Enhanced Dielectric Properties of La Substituted CoFe2O4 Magnetic Nanoparticles

Authors: M. Vadivel, R. Ramesh Babu

Abstract:

Spinel ferrite magnetic nanomaterials have received a great deal of attention in recent years due to their wide range of potential applications in various fields such as magnetic data storage and microwave device applications. Among the family of spinel ferrites, cobalt ferrite (CoFe2O4) has been widely used in the field of high-frequency applications because of its remarkable material qualities such as moderate saturation magnetization, high coercivity, large permeability at higher frequency and high electrical resistivity. For aforementioned applications, the materials should have an improved electrical property, especially enhancement in the dielectric properties. It is well known that the substitution of rare earth metal cations in Fe3+ site of CoFe2O4 nanoparticles leads to structural distortion and thus significantly influences the structural and morphological properties whereas greatly modifies the electrical and magnetic properties of a material. In the present investigation, we report on the influence of lanthanum (La3+) ion substitution on the structural, morphological, dielectric and magnetic properties of CoFe2O4 magnetic nanoparticles prepared by co-precipitation method. Powder X-ray diffraction patterns reveal the formation of inverse cubic spinel structure with the signature of LaFeO3 phase at higher La3+ ion concentrations. Raman and Fourier transform infrared spectral analysis also confirms the formation of inverse cubic spinel structure and Fe-O symmetrical stretching vibrations of CoFe2O4 nanoparticles, respectively. Transmission electron microscopy study reveals that the size of the particles gradually increases with increasing La3+ ion concentrations whereas the agglomeration gets slightly reduced for La3+ ion substituted CoFe2O4 nanoparticles than that of undoped CoFe2O4 nanoparticles. Dielectric properties such as dielectric constant and dielectric loss were recorded as a function of frequency and temperature which reveals that the dielectric constant gradually increases with increasing temperatures as well as La3+ ion concentrations. The increased dielectric constant might be the reason that the formation of LaFeO3 secondary phase at higher La3+ ion concentrations. Magnetic measurement demonstrates that the saturation magnetization gradually decreases from 61.45 to 25.13 emu/g with increasing La3+ ion concentrations which is due to the nonmagnetic nature of La3+ ions substitution.

Keywords: cobalt ferrite, co-precipitation, dielectric properties, saturation magnetization

Procedia PDF Downloads 317
19174 Measurement of CES Production Functions Considering Energy as an Input

Authors: Donglan Zha, Jiansong Si

Abstract:

Because of its flexibility, CES attracts much interest in economic growth and programming models, and the macroeconomics or micro-macro models. This paper focuses on the development, estimating methods of CES production function considering energy as an input. We leave for future research work of relaxing the assumption of constant returns to scale, the introduction of potential input factors, and the generalization method of the optimal nested form of multi-factor production functions.

Keywords: bias of technical change, CES production function, elasticity of substitution, energy input

Procedia PDF Downloads 282
19173 Searching for Novel Scaffolds of Triazole Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase

Authors: Tomasz Frączek, Agata Paneth, Rafał Kamiński, Agnieszka Krakowiak, Piotr Paneth

Abstract:

Azoles are a promising class of the new generation of HIV-1 nonnucleoside reverse transcriptase inhibitors (NNRTIs). From thousands of reported compounds, many possess the same basic structure of an aryl substituted azole ring linked by a thioglycolamide chain with another aromatic ring. To find novel extensions for this primary scaffold, we explored the 5-position substitution of triazole NNRTIs using molecular docking followed by synthesis of selected compounds. We discovered that heterocyclic substituents in 5-position of the triazole ring are detrimental to the inhibitory activity of compounds with 4-membered thioglycolamide linker. This substitution seems to be viable only for compounds with a shorter 2-membered linker such as in derivatives of 4‐benzyl‐3‐(benzyl-sulfanyl)‐5‐(thiophen‐2‐yl)‐4H‐1,2,4‐triazole reported earlier. A new scaffold of 2‐[(4‐benzyl‐5‐methyl‐4H‐1,2,4‐triazol‐3‐yl)sulfanyl]‐N‐phenylacetamide has been identified in this study.

Keywords: docking, molecular modeling, drug design, novel scaffolds

Procedia PDF Downloads 541
19172 Effect of Substituting Groundnut Cake with Remnant of Food Composite on Survival and Growth of Clarias gariepinus and Oreochromis niloticus Fingerlings

Authors: M. Y. Abubakar, M. Yunisa, A. N. Muhammad

Abstract:

Constraining the production Clarias gariepinus and Oreochromis niloticus culture is the prohibitive cost of feed. We assess the performance of the species fingerlings on diets substituted with composite. Four dietary treatments (0%, 25%, 45%, and 75%) for C. gariepinus and five (0%, 25%, 50%, 75%, and whole food composite) for O. niloticus were formulated and each fed to 15 fingerlings for C. gariepinus and 10 fingerlings for O. niloticus stocked in 75ltrs plastic bowls, replicated trice in a completely randomized design. The experiment lasted 56 days. Percent survival rate was significantly (p < 0.05) higher (57.78 ± 9.69) in C. gariepinus fed diet III. The growth and nutrient utilization indices were least in the fish fed diet IV, which was significantly (p < 0.05) lower than in other treatments. Fish fed dietary treatment III, recorded the best in growth and nutrient utilization indices and was significantly higher (p < 0.05) than those fed dietary treatments I & II which were non-significant (p > 0.05) and higher than those fed 75% substitution. Better profit index was in the fish fed diet with 50% substitution level. For O. niloticus, the survival (172.62 ± 39.03) was significantly higher (p < 0.05) in those fed 25% substituted diet. For growth indices, the least performed were those fed whole composite while other treatments were non-significant (p > 0.05) different from each other. In terms of nutrient utilization, fish fed diet substituted at 0%, 25%, 50% and 75% food composite had similar food conversion ratio and protein efficiency ratio. However, there was no significant difference in the profit index among the whole treatment. It can be concluded that food composite from Sokoto house-holds can optimally replace groundnut cake up to 50% level as a protein source in the diets of Clarias gariepinus and O. niloticus fingerlings without adverse effects on survival, growth, and nutrient utilization.

Keywords: food composite, nutrient utilization, C. gariepinus, O. niloticus household, substitution levels

Procedia PDF Downloads 197
19171 Critical Review Whether Restricting Dietary Saturated Fat Can Reduce the Risk of Cardiovascular Disease

Authors: Obi Olor, Asu-Nnandi Judith, Ishiekwen Bridget

Abstract:

Regardless of the settled perception that the substitution of saturated fats for starches or unsaturated fats builds low-density lipoprotein (LDL) cholesterol in people, in animal models, the relationship of saturated fat intake to the hazard of atherosclerotic cardiovascular ailment in people remains controversial. Clinical trials that supplanted immersed fat with polyunsaturated fat have, for the most part, demonstrated a lessening in CVD occasions, albeit a few reviews demonstrated no impacts. An autonomous relationship of soaked fat admission with CVD chance has not reliably appeared in planned epidemiologic reviews, albeit some have confirmed an expanded hazard in youthful people and in ladies. Substitution of soaked fat by polyunsaturated or monounsaturated fat reduces LDL and HDL cholesterol. Given the differing qualities of these cardio-protective eating methodologies and their healthy parts, one of the needs in research should be to attempt more near trials. These trials decide persistent worthiness, consequences for surrogate markers of hazard, and which at last affects morbidity and mortality.

Keywords: cardiovascular disease, dietary saturated fat, saturated fat, unsaturated fat

Procedia PDF Downloads 37
19170 Analysis of Cyclic Elastic-Plastic Loading of Shaft Based on Kinematic Hardening Model

Authors: Isa Ahmadi, Ramin Khamedi

Abstract:

In this paper, the elasto-plastic and cyclic torsion of a shaft is studied using a finite element method. The Prager kinematic hardening theory of plasticity with the Ramberg and Osgood stress-strain equation is used to evaluate the cyclic loading behavior of the shaft under the torsional loading. The material of shaft is assumed to follow the non-linear strain hardening property based on the Prager model. The finite element method with C1 continuity is developed and used for solution of the governing equations of the problem. The successive substitution iterative method is used to calculate the distribution of stresses and plastic strains in the shaft due to cyclic loads. The shear stress, effective stress, residual stress and elastic and plastic shear strain distribution are presented in the numerical results.

Keywords: cyclic loading, finite element analysis, Prager kinematic hardening model, torsion of shaft

Procedia PDF Downloads 408
19169 The Environmental Impacts of Textiles Reuse and Recycling: A Review on Life-Cycle-Assessment Publications

Authors: Samuele Abagnato, Lucia Rigamonti

Abstract:

Life-Cycle-Assessment (LCA) is an effective tool to quantify the environmental impacts of reuse models and recycling technologies for textiles. In this work, publications in the last ten years about LCA on textile waste are classified according to location, goal and scope, functional unit, waste composition, impact assessment method, impact categories, and sensitivity analysis. Twenty papers have been selected: 50% are focused only on recycling, 30% only on reuse, the 15% on both, while only one paper considers only the final disposal of the waste. It is found that reuse is generally the best way to decrease the environmental impacts of textiles waste management because of the avoided impacts of manufacturing a new item. In the comparison between a product made with recycled yarns and a product from virgin materials, in general, the first option is less impact, especially for the categories of climate change, water depletion, and land occupation, while for other categories, such as eutrophication or ecotoxicity, under certain conditions the impacts of the recycled fibres can be higher. Cultivation seems to have quite high impacts when natural fibres are involved, especially in the land use and water depletion categories, while manufacturing requires a remarkable amount of electricity, with its associated impact on climate change. In the analysis of the reuse processes, relevant importance is covered by the laundry phase, with water consumption and impacts related to the use of detergents. About the sensitivity analysis, it can be stated that one of the main variables that influence the LCA results and that needs to be further investigated in the modeling of the LCA system about this topic is the substitution rate between recycled and virgin fibres, that is the amount of recycled material that can be used in place of virgin one. Related to this, also the yield of the recycling processes has a strong influence on the results of the impact. The substitution rate is also important in the modeling of the reuse processes because it represents the number of avoided new items bought in place of the reused ones. Another aspect that appears to have a large influence on the impacts is consumer behaviour during the use phase (for example, the number of uses between two laundry cycles). In conclusion, to have a deeper knowledge of the impacts of a life-cycle approach of textile waste, further data and research are needed in the modeling of the substitution rate and of the use phase habits of the consumers.

Keywords: environmental impacts, life-cycle-assessment, textiles recycling, textiles reuse, textiles waste management

Procedia PDF Downloads 88
19168 Synthesis and Characterization of Carboxymethyl Cellulose from Rice Stubble Cellulose

Authors: Rungsinee Sothornvit, Pattrathip Rodsamran

Abstract:

Rice stubble consists of a high content of cellulose and can be synthesized as a cellulose derivative such as carboxymethyl cellulose (CMC) to value added products from agricultural waste. Therefore, the synthesis conditions and characterization the properties of CMC from rice stubble (CMCr) were investigated. Hemicellulose and lignin were first removed from the rice stubble using 10% NaOH at 55 C for 3 h and 5% NaOCl at 75 C for 15 min, respectively. Rice stubble cellulose was swollen in 30% NaOH and isopropanol as a solvent. The content of chloroacetic acid (5–7 g in 5 g of alkali cellulose), reaction temperature (50 and 70 C) and time (180, 270 and 360 min) were explored to obtain CMC. It was found that synthesis conditions did not affect significantly on moisture content and pH of CMCr. The best quality of CMCr was synthesized by using 7 g of chloroacetic acid and reacted at 50 C for 180 min based on 5 g of rice stubble cellulose. Degree of substitution (DS), viscosity and purity of CMCr were 0.64, 36.03 cP and 90.18 %, respectively. Furthermore, Fourier transform infrared (FT–IR) spectroscopy confirmed the presence of carboxymethyl substituents. CMCr was categorized in commercial scale as a low viscosity material and it can be used as film forming packaging materials for food and pharmaceutical product applications.

Keywords: rice stubble, cellulose, carboxymethyl cellulose, degree of substitution, purity

Procedia PDF Downloads 393
19167 Understanding Magnetic Properties of Cd1-xSnxCr2Se4 Using Local Structure Probes

Authors: P. Suchismita Behera, V. G. Sathe, A. K. Nigam, P. A. Bhobe

Abstract:

Co-existence of long-range ferromagnetism and semi-conductivity with correlated behavior of structural, magnetic, optical and electrical properties in various sites doping at CdCr2Se4 makes it a most promising candidate for spin-based electronic applications and magnetic devices. It orders ferromagnetically below TC = 130 K with a direct band gap of ~ 1.5 eV. The magnetic ordering is believed to result from strong competition between the direct antiferromagnetic Cr-Cr spin couplings and the ferromagnetic Cr-Se-Cr exchange interactions. With an aim of understanding the influence of crystal structure on its magnetic properties without disturbing the magnetic site, we investigated four compositions with 3%, 5%, 7% and 10% of Sn-substitution at Cd-site. Partial substitution of Cd2+ (0.78Å) by small sized nonmagnetic ion, Sn4+ (0.55Å), is expected to bring about local lattice distortion as well as a change in electronic charge distribution. The structural disorder would affect the Cd/Sn – Se bonds thus affecting the Cr-Cr and Cr-Se-Cr bonds. Whereas, the charge imbalance created due to Sn4+ substitution at Cd2+ leads to the possibility of Cr mixed valence state. Our investigation of the local crystal structure using the EXAFS, Raman spectroscopy and magnetic properties using SQUID magnetometry of the Cd1-xSnxCr2Se4 series reflects this premise. All compositions maintain the Fd3m cubic symmetry with tetrahedral distribution of Sn at Cd-site, as confirmed by XRD analysis. Lattice parameters were determined from the Rietveld refinement technique of the XRD data and further confirmed from the EXAFS spectra recorded at Cr K-edge. Presence of five Raman-active phonon vibrational modes viz. (T2g (1), T2g (2), T2g (3), Eg, A1g) in the Raman spectra further confirms the crystal symmetry. Temperature dependence of the Raman data provides interesting insight to the spin– phonon coupling, known to dominate the magneto-capacitive properties in the parent compound. Below the magnetic ordering temperature, the longitudinal damping of Eg mode associated with Se-Cd/Sn-Se bending and T2g (2) mode associated to Cr-Se-Cr interaction, show interesting deviations with respect to increase in Sn substitution. Besides providing the estimate of TC, the magnetic measurements recorded as a function of field provide the values of total magnetic moment for all the studied compositions indicative of formation of multiple Cr valences.

Keywords: exchange interactions, EXAFS, ferromagnetism, Raman spectroscopy, spinel chalcogenides

Procedia PDF Downloads 276
19166 Effect of Scalping on the Mechanical Behavior of Coarse Soils

Authors: Nadine Ali Hassan, Ngoc Son Nguyen, Didier Marot, Fateh Bendahmane

Abstract:

This paper aims at presenting a study of the effect of scalping methods on the mechanical properties of coarse soils by resorting to numerical simulations based on the discrete element method (DEM) and experimental triaxial tests. Two reconstitution methods are used, designated as scalping method and substitution method. Triaxial compression tests are first simulated on a granular materials with a grap graded particle size distribution by using the DEM. We study the effect of these reconstitution methods on the stress-strain behavior of coarse soils with different fine contents and with different ways to control the densities of the scalped and substituted materials. Experimental triaxial tests are performed on original mixtures of sands and gravels with different fine contents and on their corresponding scalped and substituted samples. Numerical results are qualitatively compared to experimental ones. Agreements and discrepancies between these results are also discussed.

Keywords: coarse soils, mechanical behavior, scalping, replacement, triaxial devices

Procedia PDF Downloads 207
19165 Magnetic, Magnetocaloric, and Electrical Properties of Pr0.7Ca0.3Mn0.9M0.1O3

Authors: A. Selmi, A. Bettaibi, H. Rahmouni, R. M’nassri, N. Chniba Boudjada, A. Chiekhrouhou, K. Khirouni

Abstract:

Investigation of magnetic and magnetocaloric properties of Pr₀.₇Ca₀.₃Mn₀.₉M₀.₁O₃ perovskite manganites (M=Cr and Ni) has been carried out. Our compounds were prepared by the conventional solid-state reaction method at high temperatures. Rietveld refinement of X-ray diffraction pattern using FULLPROF method shows that all compounds adopt the orthorhombic structure with Pnma space group. The partial substitution of Mn-site drives the system from charge order state to ferromagnetic one with a Curie temperature T𝒸=150K, 118k and 116K for M=Cr and Ni, respectively. Magnetization measurements versus temperature in a magnetic applied field of 0.05T show that all our samples exhibit a paramagnetic–ferromagnetic transition with decreasing temperature. From M(H) isotherms, we have deduced the magnetic entropy change, which present maximum values of 2.37 J/kg.K and 2.94 J/kg.K, in a magnetic field change of 5T for M=Cr and Ni, respectively.

Keywords: manganites, magnetocaloric, magnetic, refrigeration

Procedia PDF Downloads 79
19164 Exploring the Differences between Self-Harming and Suicidal Behaviour in Women with Complex Mental Health Needs

Authors: Sophie Oakes-Rogers, Di Bailey, Karen Slade

Abstract:

Female offenders are a uniquely vulnerable group, who are at high risk of suicide. Whilst the prevention of self-harm and suicide remains a key global priority, we need to better understand the relationship between these challenging behaviours that constitute a pressing problem, particularly in environments designed to prioritise safety and security. Method choice is unlikely to be random, and is instead influenced by a range of cultural, social, psychological and environmental factors, which change over time and between countries. A key aspect of self-harm and suicide in women receiving forensic care is the lack of free access to methods. At a time where self-harm and suicide rates continue to rise internationally, understanding the role of these influencing factors and the impact of current suicide prevention strategies on the use of near-lethal methods is crucial. This poster presentation will present findings from 25 interviews and 3 focus groups, which enlisted a Participatory Action Research approach to explore the differences between self-harming and suicidal behavior. A key element of this research was using the lived experiences of women receiving forensic care from one forensic pathway in the UK, and the staffs who care for them, to discuss the role of near-lethal self-harm (NLSH). The findings and suggestions from the lived accounts of the women and staff will inform a draft assessment tool, which better assesses the risk of suicide based on the lethality of methods. This tool will be the first of its kind, which specifically captures the needs of women receiving forensic services. Preliminary findings indicate women engage in NLSH for two key reasons and is determined by their history of self-harm. Women who have a history of superficial non-life threatening self-harm appear to engage in NLSH in response to a significant life event such as family bereavement or sentencing. For these women, suicide appears to be a realistic option to overcome their distress. This, however, differs from women who appear to have a lifetime history of NLSH, who engage in such behavior in a bid to overcome the grief and shame associated with historical abuse. NLSH in these women reflects a lifetime of suicidality and indicates they pose the greatest risk of completed suicide. Findings also indicate differences in method selection between forensic provisions. Restriction of means appears to play a role in method selection, and findings suggest it causes method substitution. Implications will be discussed relating to the screening of female forensic patients and improvements to the current suicide prevention strategies.

Keywords: forensic mental health, method substitution, restriction of means, suicide

Procedia PDF Downloads 178
19163 Enhanced Dielectric and Ferroelectric Properties in Holmium Substituted Stoichiometric and Non-Stoichiometric SBT Ferroelectric Ceramics

Authors: Sugandha Gupta, Arun Kumar Jha

Abstract:

A large number of ferroelectric materials have been intensely investigated for applications in non-volatile ferroelectric random access memories (FeRAMs), piezoelectric transducers, actuators, pyroelectric sensors, high dielectric constant capacitors, etc. Bismuth layered ferroelectric materials such as Strontium Bismuth Tantalate (SBT) has attracted a lot of attention due to low leakage current, high remnant polarization and high fatigue endurance up to 1012 switching cycles. However, pure SBT suffers from various major limitations such as high dielectric loss, low remnant polarization values, high processing temperature, bismuth volatilization, etc. Significant efforts have been made to improve the dielectric and ferroelectric properties of this compound. Firstly, it has been reported that electrical properties vary with the Sr/ Bi content ratio in the SrBi2Ta2O9 compsition i.e. non-stoichiometric compositions with Sr-deficient / Bi excess content have higher remnant polarization values than stoichiometic SBT compositions. With the objective to improve structural, dielectric, ferroelectric and piezoelectric properties of SBT compound, rare earth holmium (Ho3+) was chosen as a donor cation for substitution onto the Bi2O2 layer. Moreover, hardly any report on holmium substitution in stoichiometric SrBi2Ta2O9 and non-stoichiometric Sr0.8Bi2.2Ta2O9 compositions were available in the literature. The holmium substituted SrBi2-xHoxTa2O9 (x= 0.00-2.0) and Sr0.8Bi2.2Ta2O9 (x=0.0 and 0.01) compositions were synthesized by the solid state reaction method. The synthesized specimens were characterized for their structural and electrical properties. X-ray diffractograms reveal single phase layered perovskite structure formation for holmium content in stoichiometric SBT samples up to x ≤ 0.1. The granular morphology of the samples was investigated using scanning electron microscope (Hitachi, S-3700 N). The dielectric measurements were carried out using a precision LCR meter (Agilent 4284A) operating at oscillation amplitude of 1V. The variation of dielectric constant with temperature shows that the Curie temperature (Tc) decreases on increasing the holmium content. The specimen with x=2.0 i.e. the bismuth free specimen, has very low dielectric constant and does not show any appreciable variation with temperature. The dielectric loss reduces significantly with holmium substitution. The polarization–electric field (P–E) hysteresis loops were recorded using a P–E loop tracer based on Sawyer–Tower circuit. It is observed that the ferroelectric property improve with Ho substitution. Holmium substituted specimen exhibits enhanced value of remnant polarization (Pr= 9.22 μC/cm²) as compared to holmium free specimen (Pr= 2.55 μC/cm²). Piezoelectric co-efficient (d33 values) was measured using a piezo meter system (Piezo Test PM300). It is observed that holmium substitution enhances piezoelectric coefficient. Further, the optimized holmium content (x=0.01) in stoichiometric SrBi2-xHoxTa2O9 composition has been substituted in non-stoichiometric Sr0.8Bi2.2Ta2O9 composition to obtain further enhanced structural and electrical characteristics. It is expected that a new class of ferroelectric materials i.e. Rare Earth Layered Structured Ferroelectrics (RLSF) derived from Bismuth Layered Structured Ferroelectrics (BLSF) will generate which can be used to replace static (SRAM) and dynamic (DRAM) random access memories with ferroelectric random access memories (FeRAMS).

Keywords: dielectrics, ferroelectrics, piezoelectrics, strontium bismuth tantalate

Procedia PDF Downloads 209
19162 Quality of Life and Self-Assessed Health of Methadone – Maintained Opiate Addicts

Authors: Brajevic-gizdic Igna, Vuletic Gorka

Abstract:

Introduction: Research in opiate addiction is increasingly indicating the importance of substitution therapy in opiate addicts. Opiate addiction is a chronic relapsing disease that includes craving as a criterion. Craving has been considered a predictor of a relapse, which is defined as a strong desire with an excessive need to take a substance. The study aimed to measure the intensity of craving using the VAS (visual analog scale) in opioid addicts taking the Opioid Substitution Therapy (OST). Method: The total sample compromised of 30 participants in outpatient treatment. Two groups of opiate addicts were considered: Methadone-maintenance and buprenorphine-maintenance addicts. The participants completed the survey questionnaire during the outpatient treatment. Results: The results indicated high levels of cravings in patients during the treatment on OST, which is considered an important destabilization factor in abstinence. Thus, the use of methadone/buprenorphine dose should be considered. Conclusion: These findings provided an objective measurement of methadone /buprenorphine dosage and therapy options. The underdoes of OST can put patients at high risk of relapse, resulting in high levels of craving. Thus, when determining the therapeutic dose of OST, it is crucial to consider patients´ craving. This would achieve stabilization more quickly and avoid relapse in abstinence. Subjective physician assessment and patient’s statement are the main criteria to determine OST dosage. Future studies should use larger sample sizes and focus on the importance of intensity craving measurement on OST to objectify methadone /buprenorphine dosage.

Keywords: abstinence, addicts, methadone, OST, quality of life

Procedia PDF Downloads 91
19161 Formulation and Physico-Mechanical Characterization of a Self-Compacting Concrete Containing Seashells as an Addition Material

Authors: Brahim Safi, Mohammed Saidi, A. Benmounah, Jozef Mitterpach

Abstract:

The aim of this work is to study the rheological and physico-mechanical properties of a self-compacting concrete elaborated with sea shells as an addition cementitious (total replacement of limestone fillers) and sand (partial and total substitution fine aggregate). Also, this present study is registered in the context of sustainable development by using this waste type which caused environmental problems. After preparation the crushed shells (obtaining fine aggregate) and finely crushed shells (obtaining end powder), concretes were manufactured using these two products. Rheological characterization tests (fluidity, filling capacity and segregation) and physico-mechanical properties (density and strength) were carried on these concretes. The results obtained show that it can be used as fin addition (by total replacement of limestone) or also used as sand by total substitution of natural sand.

Keywords: seashells, limestone, sand, self-compacting concrete, fluidity, compressive strength, flexural strength

Procedia PDF Downloads 272
19160 Structural, Magnetic and Electrical Properties of Gd3+ Doped CoFe2O4 Nanoparticles Synthesized by Sonochemical Method

Authors: Raghvendra Singh Yadav, Ivo Kuřitka

Abstract:

In this report, we studied the impact of Gd3+ substitution on structural, magnetic and electrical properties of CoFe2O4 nanoparticles synthesized by sonochemical method. X-ray diffraction pattern confirmed the formation of cubic spinel structure at low concentration of Gd3+ ions, however, GdFeO3 additional phase was observed at higher concentration of Gd3+ ions. Raman and Fourier Transform Infrared spectroscopy study also confirmed cubic spinel structure of Gd3+ substituted CoFe2O4 nanoparticles. The field emission scanning electron microscopy study revealed that Gd3+ substituted CoFe2O4 nanoparticles were in the range of 5-20 nm. The magnetic properties of Gd3+ substituted CoFe2O4 nanoparticles were investigated by using vibrating sample magnetometer. The variation in saturation magnetization, coercivity and remanent magnetization with Gd3+ concentration in CoFe2O4 nanoparticles was observed. The variation of real and imaginary part of dielectric constant, tan δ, and AC conductivity were studied at room temperature.

Keywords: spinel ferrites, nanoparticles, sonochemical method, magnetic properties

Procedia PDF Downloads 294
19159 Structure and Magnetic Properties of M-Type Sr-Hexaferrite with Ca, La Substitutions

Authors: Eun-Soo Lim, Young-Min Kang

Abstract:

M-type Sr-hexaferrite (SrFe₁₂O₁₉) have been studied during the past decades because it is the most utilized materials in permanent magnets due to their low price, outstanding chemical stability, and appropriate hard magnetic properties. Many attempts have been made to improve the intrinsic magnetic properties of M-type Sr-hexaferrites (SrM), such as by improving the saturation magnetization (MS) and crystalline anisotropy by cation substitution. It is well proved that the Ca-La-Co substitutions are one of the most successful approaches, which lead to a significant enhancement in the crystalline anisotropy without reducing MS, and thus the Ca-La-Co-doped SrM have been commercialized in high-grade magnet products. In this research, the effect of respective doping of Ca and La into the SrM lattices were studied with assumptions that these elements could substitute both of Fe and Sr sites. The hexaferrite samples of stoichiometric SrFe₁₂O₁₉ (SrM) and the Ca substituted SrM with formulae of Sr₁₋ₓCaₓFe₁₂Oₐ (x = 0.1, 0.2, 0.3, 0.4) and SrFe₁₂₋ₓCaₓOₐ (x = 0.1, 0.2, 0.3, 0.4), and also La substituted SrM of Sr₁₋ₓLaₓFe₁₂Oₐ (x = 0.1, 0.2, 0.3, 0.4) and SrFe₁₂₋ₓLaₓOₐ (x = 0.1, 0.2, 0.3, 0.4) were prepared by conventional solid state reaction processes. X-ray diffraction (XRD) with a Cu Kα radiation source (λ=0.154056 nm) was used for phase analysis. Microstructural observation was conducted with a field emission scanning electron microscopy (FE-SEM). M-H measurements were performed using a vibrating sample magnetometer (VSM) at 300 K. Almost pure M-type phase could be obtained in the all series of hexaferrites calcined at > 1250 ºC. Small amount of Fe₂O₃ phases were detected in the XRD patterns of Sr₁₋ₓCaₓFe₁₂Oₐ (x = 0.2, 0.3, 0.4) and Sr₁₋ₓLaₓFe₁₂Oₐ (x = 0.1, 0.2, 0.3, 0.4) samples. Also, small amount of unidentified secondary phases without the Fe₂O₃ phase were found in the samples of SrFe₁₂₋ₓCaₓOₐ (x = 0.4) and SrFe₁₂₋ₓLaₓOₐ (x = 0.3, 0.4). Although the Ca substitution (x) into SrM structure did not exhibit a clear tendency in the cell parameter change in both series of samples, Sr₁₋ₓCaₓFe₁₂Oₐ and SrFe₁₂₋ₓCaₓOₐ , the cell volume slightly decreased with doping of Ca in the Sr₁₋ₓCaₓFe₁₂Oₐ samples and increased in the SrFe₁₂₋ₓCaₓOₐ samples. Considering relative ion sizes between Sr²⁺ (0.113 nm), Ca²⁺ (0.099 nm), Fe³⁺ (0.064 nm), these results imply that the Ca substitutes both of Sr and Fe in the SrM. A clear tendency of cell parameter change was observed in case of La substitution into Sr site of SrM ( Sr₁₋ₓLaₓFe₁₂Oₐ); the cell volume decreased with increase of x. It is owing to the similar but smaller ion size of La³⁺ (0.106 nm) than that of Sr²⁺. In case of SrFe₁₂₋ₓLaₓOₐ, the cell volume first decreased at x = 0.1 and then remained almost constant with increase of x from 0.2 to 0.4. These results mean that La only substitutes Sr site in the SrM structure. Besides, the microstructure and magnetic properties of these samples, and correlation between them will be revealed.

Keywords: M-type hexaferrite, substitution, cell parameter, magnetic properties

Procedia PDF Downloads 211
19158 The Acquisition of /r/ By Setswana-Learning Children

Authors: Keneilwe Matlhaku

Abstract:

Crosslinguistic studies (theoretical and clinical) have shown delays and significant misarticulation in the acquisition of the rhotics. This article provides a detailed analysis of the early development of the rhotic phoneme, an apical trill /r/, by monolingual Setswana (Tswana S30) children of age ranges between 1 and 4 years. The data display the following trends: (1) late acquisition of /r/; (2) a wide range of substitution patterns involving this phoneme (i.e., gliding, coronal stopping, affrication, deletion, lateralization, as well as, substitution to a dental and uvular fricative). The primary focus of the article is on the potential origins of these variations of /r/, even within the same language. Our data comprises naturalistic longitudinal audio recordings of 6 children (2 males and 4 females) whose speech was recorded in their homes over a period of 4 months with no or only minimal disruptions in their daily environments. Phon software (Rose et al. 2013; Rose & MacWhinney 2014) was used to carry out the orthographic and phonetic transcriptions of the children’s data. Phon also enabled the generation of the children’s phonological inventories for comparison with adult target IPA forms. We explain the children’s patterns through current models of phonological emergence (MacWhinney 2015) as well as McAllister Byun, Inkelas & Rose (2016); Rose et al., (2022), which highlight the perceptual and articulatory factors influencing the development of sounds and sound classes. We highlight how the substitution patterns observed in the data can be captured through a consideration of the auditory properties of the target speech sounds, combined with an understanding of the types of articulatory gestures involved in the production of these sounds. These considerations, in turn, highlight some of the most central aspects of the challenges faced by the child toward learning these auditory-articulatory mappings. We provide a cross-linguistic survey of the acquisition of rhotic consonants in a sample of related and unrelated languages in which we show that the variability and volatility in the substitution patterns of /r/ is also brought about by the properties of the children’s ambient languages. Beyond theoretical issues, this article sets an initial foundation for developing speech-language pathology materials and services for Setswana learning children, an emerging area of public service in Botswana.

Keywords: rhotic, apical trill, Phon, phonological emergence, auditory, articulatory, mapping

Procedia PDF Downloads 38
19157 Design of Wide-Range Variable Fractional-Delay FIR Digital Filters

Authors: Jong-Jy Shyu, Soo-Chang Pei, Yun-Da Huang

Abstract:

In this paper, design of wide-range variable fractional-delay (WR-VFD) finite impulse response (FIR) digital filters is proposed. With respect to the conventional VFD filter which is designed such that its delay is adjustable within one unit, the proposed VFD FIR filter is designed such that its delay can be tunable within a wider range. By the traces of coefficients of the fractional-delay FIR filter, it is found that the conventional method of polynomial substitution for filter coefficients no longer satisfies the design demand, and the circuits perform the sinc function (sinc converter) are added to overcome this problem. In this paper, least-squares method is adopted to design WR-VFD FIR filter. Throughout this paper, several examples will be proposed to demonstrate the effectiveness of the presented methods.

Keywords: digital filter, FIR filter, variable fractional-delay (VFD) filter, least-squares approximation

Procedia PDF Downloads 491
19156 Patterns of Gear Substitution in Norwegian Trawl Fishery

Authors: Tannaz Alizadeh Ashrafi

Abstract:

Seasonal variability in biological and ecological factors together with relevant socio-economic determinants affect the choice of fishing gear, frequency of its usage and decision about gear conversion under multi-species situation. In order to deal with the complex dynamics of fisheries, fishers, constantly, have to make decisions about how long to fish, when to go fishing, what species to target, and which gear to deploy. In this regard, the purpose of this study is to examine the dynamics of gear/ species combination in Norwegian fishery. A comprehensive vessel-level set of data for the main economically important species including: cod, haddock, saithe, shrimp and mixed catch have been obtained from the Norwegian Directorate of Fisheries covering the daily data in 2010. The present study further analyzes the level of flexibility and rationality of the fishers operating in the trawl fishery. The results show the disproportion between intention of the trawl fishers to maximize profitability of each fishing trip and their harvesting behavior in reality. Discussion is based on so-called maximizing behavior.

Keywords: trawl fishery, gear substitution, rationality, profit maximizing behavior

Procedia PDF Downloads 276
19155 Self-Assembled Nano Aggregates Based On Polyaspartamide Graft Copolymers for pH-Controlled Release of Doxorubicin

Authors: Van Tran Thi Thuy, Cheol Won Lim, Dukjoon Kim

Abstract:

A series of biodegradable copolymers based on polyaspartamide (PASPAM) were synthesized by grafting hydrophilic O-(2-aminoethyl)-O'-methylpoly(ethylene glycol) (MPEG), hydrophobic cholic acid (CA), and pH-sensitive hydrazine (Hyd) segments on a PASPAM backbone. The hydrazine group was effectively cleaved to release doxorubicin (DOX) conjugated on PASPAM in an acidic environment. The chemical structure of the polymer and the degree of substitution of each graft segment were analyzed using FT-IR and 1H-NMR spectroscopy. The size of the MPEG/Hyd/CA-g-PASPAM copolymer self-aggregates was examined by dynamic light scattering (DLS) and transmission electron microscope (TEM). The mean diameter of the self - aggregates increased from 125 to 200 nm at pH 7.4, as the degree of substitution of CA increased from 10 to 20 %. The release kinetics of DOX was strongly affected by the pH of the releasing medium. While less than 30% of the DOX-loaded was released in about 30 h at pH 7.4, more than 60% was released at pH 5.0 within the same time. The viability tests of human breast cancer cells (MCF-7) and human embryonic kidney cells (293T) show the potential application of MPEG/Hyd/CA-g-PASPAM copolymer self-aggregates in the controlled intracellular delivery for cancer treatments.

Keywords: pH-sensitive, drug delivery, polyaspartamide, self-assembly, nano-aggregates

Procedia PDF Downloads 358
19154 Data Mining Model for Predicting the Status of HIV Patients during Drug Regimen Change

Authors: Ermias A. Tegegn, Million Meshesha

Abstract:

Human Immunodeficiency Virus and Acquired Immunodeficiency Syndrome (HIV/AIDS) is a major cause of death for most African countries. Ethiopia is one of the seriously affected countries in sub Saharan Africa. Previously in Ethiopia, having HIV/AIDS was almost equivalent to a death sentence. With the introduction of Antiretroviral Therapy (ART), HIV/AIDS has become chronic, but manageable disease. The study focused on a data mining technique to predict future living status of HIV/AIDS patients at the time of drug regimen change when the patients become toxic to the currently taking ART drug combination. The data is taken from University of Gondar Hospital ART program database. Hybrid methodology is followed to explore the application of data mining on ART program dataset. Data cleaning, handling missing values and data transformation were used for preprocessing the data. WEKA 3.7.9 data mining tools, classification algorithms, and expertise are utilized as means to address the research problem. By using four different classification algorithms, (i.e., J48 Classifier, PART rule induction, Naïve Bayes and Neural network) and by adjusting their parameters thirty-two models were built on the pre-processed University of Gondar ART program dataset. The performances of the models were evaluated using the standard metrics of accuracy, precision, recall, and F-measure. The most effective model to predict the status of HIV patients with drug regimen substitution is pruned J48 decision tree with a classification accuracy of 98.01%. This study extracts interesting attributes such as Ever taking Cotrim, Ever taking TbRx, CD4 count, Age, Weight, and Gender so as to predict the status of drug regimen substitution. The outcome of this study can be used as an assistant tool for the clinician to help them make more appropriate drug regimen substitution. Future research directions are forwarded to come up with an applicable system in the area of the study.

Keywords: HIV drug regimen, data mining, hybrid methodology, predictive model

Procedia PDF Downloads 142
19153 LaMn₁₋ₓNiₓO₃ Perovskites as Oxygen Carriers for Chemical Looping Partial Oxidation of Methane

Authors: Xianglei Yin, Shen Wang, Baoyi Wang, Laihong Shen

Abstract:

Chemical looping partial oxidation of methane (CLPOM) is a novel technology to produce high-quality syngas with an auto-thermic process and low equipment investment. The development of oxygen carriers is important for the improvement of the CLPOM performance. In this work, the effect of the nickel-substitution proportion on the performance of LaMn₁₋ᵧNiᵧO₃₊δ perovskites for CLPOM was studied in the aspect of reactivity, syngas selectivity, resistance towards carbon deposition and thermal stability in cyclic redox process. The LaMn₁₋ₓNiₓO₃ perovskite oxides with x = 0, 0.1, 0.2 were prepared by the sol-gel method. The performance of LaMn₁₋ᵧNiᵧO₃₊δ perovskites for CLPOM was investigated through the characterization of XRD, H₂-TPR, XPS, and fixed-bed experiments. The characterization and test results suggest that the doping of nickel enhances the generation rate of syngas, leading to high syngas yield, methane conversion, and syngas selectivity. This is attributed to the that the introduction of nickel provides active sites to promote the methane activation on the surface and causes the addition of oxygen vacancies to accelerate the migration of oxygen anion in the bulk of oxygen carrier particles. On the other hand, the introduction of nickel causes carbon deposition to occur earlier. The best substitution proportion of nickel is y=0.1 and LaMn₀.₉Ni₀.₁O₃₊δ could produce high-quality syngas with a yield of 3.54 mmol·g⁻¹, methane conversion of 80.7%, and CO selectivity of 84.8% at 850℃. In addition, the LaMn₀.₉Ni₀.₁O₃₊δ oxygen carrier exhibits superior and stable performance in the cyclic redox process.

Keywords: chemical looping partial oxidation of methane, LaMnO₃₊δ, Ni doping, syngas, carbon deposition

Procedia PDF Downloads 97
19152 DNpro: A Deep Learning Network Approach to Predicting Protein Stability Changes Induced by Single-Site Mutations

Authors: Xiao Zhou, Jianlin Cheng

Abstract:

A single amino acid mutation can have a significant impact on the stability of protein structure. Thus, the prediction of protein stability change induced by single site mutations is critical and useful for studying protein function and structure. Here, we presented a deep learning network with the dropout technique for predicting protein stability changes upon single amino acid substitution. While using only protein sequence as input, the overall prediction accuracy of the method on a standard benchmark is >85%, which is higher than existing sequence-based methods and is comparable to the methods that use not only protein sequence but also tertiary structure, pH value and temperature. The results demonstrate that deep learning is a promising technique for protein stability prediction. The good performance of this sequence-based method makes it a valuable tool for predicting the impact of mutations on most proteins whose experimental structures are not available. Both the downloadable software package and the user-friendly web server (DNpro) that implement the method for predicting protein stability changes induced by amino acid mutations are freely available for the community to use.

Keywords: bioinformatics, deep learning, protein stability prediction, biological data mining

Procedia PDF Downloads 467
19151 Recycling of End of Life Concrete Based on C2CA Method

Authors: Somayeh Lotfi, Manuel Eggimann, Eckhard Wagner, Radosław Mróz, Jan Deja

Abstract:

One of the main environmental challenges in the construction industry is a strong social force to decrease the bulk transport of the building materials in urban environments. Considering this fact, applying more in-situ recycling technologies for Construction and Demolition Waste (CDW) is an urgent need. The European C2CA project develops a novel concrete recycling technology that can be performed purely mechanically and in situ. The technology consists of a combination of smart demolition, gentle grinding of the crushed concrete in an autogenous mill, and a novel dry classification technology called ADR to remove the fines. The feasibility of this recycling process was examined in demonstration projects involving in total 20,000 tons of End of Life (EOL) concrete from two office towers in Groningen, The Netherlands. This paper concentrates on the second demonstration project of C2CA, where EOL concrete was recycled on an industrial site. After recycling, the properties of the produced Recycled Aggregate (RA) were investigated, and results are presented. An experimental study was carried out on mechanical and durability properties of produced Recycled Aggregate Concrete (RAC) compared to those of the Natural Aggregate Concrete (NAC). The aim was to understand the importance of RA substitution, w/c ratio and type of cement to the properties of RAC. In this regard, two series of reference concrete with strength classes of C25/30 and C45/55 were produced using natural coarse aggregates (rounded and crushed) and natural sand. The RAC series were created by replacing parts of the natural aggregate, resulting in series of concrete with 0%, 20%, 50% and 100% of RA. Results show that the concrete mix design and type of cement have a decisive effect on the properties of RAC. On the other hand, the substitution of RA even at a high percentage replacement level has a minor and manageable impact on the performance of RAC. This result is a good indication towards the feasibility of using RA in structural concrete by modifying the mix design and using a proper type of cement.

Keywords: C2CA, ADR, concrete recycling, recycled aggregate, durability

Procedia PDF Downloads 391
19150 Use of PET Fibers for Enhancing the Ductility of Exterior RC Beam-Column Connections Subjected to Reversed Cyclic Loading

Authors: Comingstarful Marthong, Shembiang Marthong

Abstract:

Application of Polyethylene terephthalate (PET) fiber for enhancing the seismic performance of exterior RC beam-column connections in substitution of steel fibers is experimentally investigated. The study involves the addition of Polyethylene terephthalate (PET) fiber-reinforced concrete, i.e., PFRC at the joint region of the connection. The PET fiber of 0.5% volume fraction used in the PFRC mix is obtained by hand cutting of post-consumer PET bottles. Specimens design as per relevant codes was casted and tested to reverse cyclic loading. PFRC specimen was also casted and subjected to similar loading sequence. Test results established that addition of PET fibers in the joint region is effective in enhancing the displacement ductility and energy dissipation capacity. The improvement of damage indices and principal tensile stresses of PFRC specimens gave experimental evidence of the suitability of PET fibers as a discrete reinforcement in the substitution of steel fiber for structural use.

Keywords: beam-column connections, polyethylene terephthalate fibers reinforced concrete, joint region, ductility, seismic capacity

Procedia PDF Downloads 279
19149 1,8-Naphthalimide Substituted 4,4-Difluoroboradiaza-S-Indacene Dyads: Synthesis, Structure, Properties and Live-Cell Imaging

Authors: Madhurima Poddar, Vinay Sharma, Shaikh M. Mobin, Rajneesh Misra

Abstract:

Three 1,8-naphthalimide (NPI) substituted 4,4-difluoroboradiaza-s-indacene (BODIPY) dyads were synthesized via Pd-catalyzed Sonogashira cross-coupling reaction of ethynyl substituted NPI with the meso-, β- and α-halogenated BODIPYs, respectively. The photophysical and electrochemical data reveals considerable electronic communication between the BODIPY and NPI moieties. The electronic absorption spectrum reveals that the substitution of NPI at α position of BODIPY exhibit better electronic communication between the NPI and the BODIPY units. The electronic structures of all the dyads exhibit planar geometries which are in a good correlation with the structures obtained from single crystal X-ray diffraction. The crystal structures of the dyads exhibit interesting supramolecular interactions. The dyads show good cytocompatibility with the potential of multicolor live-cell imaging; making them excellent candidates for biological applications. The work provides an important strategy of screening the substitution pattern at different position of BODIPYs which will be useful for the design of BODIPY based organic molecules for various optoelectronic applications as well as bio-imaging.

Keywords: bio-imaging studies, cross-coupling, cyclic voltammetry, density functional calculations, fluorescence spectra, single crystal XRD, UV/Vis spectroscopy

Procedia PDF Downloads 145
19148 Discussing Concept Gratitude of Muslim Consumers Based on Islamic Law: A Confirmation on the Theory of Consumer Satisfaction through Imam Al-Ghazali's Thought

Authors: Suprihatin Soewarto

Abstract:

The background of writing this paper is to assess the truth of rejection of some Muslim scholars who develop Islamic economics on the concept of consumer satisfaction and replace it with the concept of maslahah. In the perspective of Islamic law, this rejection attitude needs to be verified in order to know the accuracy of the replacement of this concept of satisfaction with maslahah as part of consumer behavior. This is done so that replacement of rejection of the term satisfaction with maslahah is objective. This objective replacement of the term will surely be more enlightening and more just than the subjective substitution. Therefore the writing of this paper aims to get an answer whether the concept of satisfaction needs to be replaced? is it possible for Islamic law to confirm the theory of consumer satisfaction? The method of writing this paper using the method of literature with a critical analysis approach. The results of this study is an explanation of the similarities and differences of consumer satisfaction theory and consumer theory maslahah according to Islamic law. disclosure of the concept of consumer gratitude according to Islamic law and its implementation in Muslim consumer demand theory.

Keywords: consumer's gratitude, islamic law, confirmation, satisfaction consumer's

Procedia PDF Downloads 208
19147 Utilization of Complete Feed Based on Ammoniated Corn Waste on Bali Cattle Peformance

Authors: Elihasridas, Rusmana Wijaya Setia Ninggrat

Abstract:

This research aims to study the utilization of ammoniated corn waste complete ration for substitution basal ration of natural grass in Bali cattle. Four treatments (complete feed ration consisted of: R1=40% natural grass + 60% concentrate (control), R2= 50% natural grass+50% concentrate, R3=60% natural grass+40% concentrate and R4=40% ammoniated corn waste+60% concentrate) were employed in this experiment. This experiment was arranged in a latin square design. Observed variables included dry matter intake (DMI), average daily gain and feed conversion. Data were analyzed by using the Analysis of Variance following a 4 x 4 Latin Square Design. The DMI for R1was 7,15kg/day which was significantly (P < 0,05) higher than R2 (6,32 kg/day) and R3(6,07 kg/day), but was not significantly different (P < 0,05) from R4 (7,01 kg/day). Average daily gain for R1(0,75 kg/day) which was significantly (P < 0,05) higher than R2(0,66 kg/day) and R3 (0,61 kg/day),but was not significantly different (P > 0,05) from R4(0,74 kg/day). Feed conversion was not significantly affected (P > 0,05) by ration. It was concluded that ammoniated corn waste complete ration (40% ammoniated corn waste + 60% concentrate) could be utilized for substitution natural grass basal ration.

Keywords: ammoniated corn waste, bali cattle, complete feed, daily gain

Procedia PDF Downloads 205
19146 Theoretical Study of Acetylation of P-Methylaniline Catalyzed by Cu²⁺ Ions

Authors: Silvana Caglieri

Abstract:

Theoretical study of acetylation of p-methylaniline catalyzed by Cu2+ ions from the analysis of intermediate of the reaction was carried out. The study of acetylation of amines is of great interest by the utility of its products of reaction and is one of the most frequently used transformations in organic synthesis as it provides an efficient and inexpensive means for protecting amino groups in a multistep synthetic process. Acetylation of amine is a nucleophilic substitution reaction. This reaction can be catalyzed by Lewis acid, metallic ion. In reaction mechanism, the metallic ion formed a complex with the oxygen of the acetic anhydride carbonyl, facilitating the polarization of the same and the successive addition of amine at the position to form a tetrahedral intermediate, determining step of the rate of the reaction. Experimental work agreed that this reaction takes place with the formation of a tetrahedral intermediate. In the present theoretical work were investigated the structure and energy of the tetrahedral intermediate of the reaction catalyzed by Cu2+ ions. Geometries of all species involved in the acetylation were made and identified. All of the geometry optimizations were performed by the method at the DFT/B3LYP level of theory and the method MP2. Were adopted the 6-31+G* basis sets. Energies were calculated using the Mechanics-UFF method. Following the same procedure it was identified the geometric parameters and energy of reaction intermediate. The calculations show 61.35 kcal/mol of energy for the tetrahedral intermediate and the energy of activation for the reaction was 15.55 kcal/mol.

Keywords: amides, amines, DFT, MP2

Procedia PDF Downloads 282