Search results for: green chemistry principles
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 4618

Search results for: green chemistry principles

2488 The Politicization of Foreign Aid and Its Effect on Afghanistan, 2001-2016

Authors: Narender Banwala

Abstract:

The study critically evaluates that the politics of foreign aid and its effect on Afghanistan. The study argues that dynamics of foreign aid to Afghanistan are not driven solely by the Afghan political, social, and economic realities but much more by the ephemeral political goals of international donor countries. The objective of this paper is to find out the political reality of foreign aid given to Afghanistan in a post 9/11 era. The study analyses the gap between the donor countries' interests and the Afghan government's priorities in aid coordination and management. The aid given to Afghanistan has been accompanied by the political interests of the major powers and therefore violated the core principles of humanitarianism, i.e., humanity, impartiality, neutrality, and independence. This research attempts to explain the areas which are of high priority, extremely vulnerable, and have been a neglected part since 2001. The study focuses on how as a result of politicization, foreign aid could not yield the expected results even after prolong presence of international donors in Afghanistan. Methodologically, the study includes both qualitative and quantitative data, which are collected by interviews with government officials and other government documents.

Keywords: Afganistan, aid, politics, security

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2487 Microstructure and Electrochemical Properties of LiNi1/3Co1/3Mn1/3-xAlxO2 Cathode Material for Lithium Ion Batteries

Authors: Wei-Bo Hua, Zhuo Zheng, Xiao-Dong Guo, Ben-He Zhong

Abstract:

The layered structure LiNi1/3Co1/3Mn1/3-xAlxO2 (x = 0 ~ 0.04) series cathode materials were synthesized by a carbonate co-precipitation method, followed by a high temperature calcination process. The influence of Al substitution on the microstructure and electrochemical performances of the prepared materials was investigated by X-Ray diffraction (XRD), scanning electron microscopy (SEM), and galvanostatic charge/discharge test. The results show that the LiNi1/3Co1/3Mn1/3-xAlxO2 has a well-ordered hexagonal "α" -NaFeO2 structure. Although the discharge capacity of Al-doped samples decreases as x increases, LiNi1/3Co1/3Mn1/3-0.02Al0.02O2 exhibits superior capacity retention at high voltage (4.6 V). Therefore, LiNi1/3Co1/3Mn1/3-0.02Al0.02O2 is a promising material for “green” vehicles.

Keywords: lithium ion battery, carbonate co-precipitation, doping, microstructure, electrochemical properties

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2486 Extracting the Failure Criterion to Evaluate the Strength of Cracked Drills under Torque Caused by Drilling

Authors: A. Falsafi, M. Dadkhah, S. Shahidi

Abstract:

The destruction and defeat of drill pipes and drill rigs in oil wells often combined with a combination of shear modulus II and III. In such a situation, the strength and load bearing capacity of the drill are evaluated based on the principles of fracture mechanics and crack growth criteria. In this paper, using the three-dimensional stress equations around the Turkish frontier, the relations of the tense-tense criterion (MTS) are extracted for the loading of the combined II and III modulus. It is shown that in crisp deflection under loading of combination II and III, the level of fracture is characterized by two different angles: the longitudinal angle of deflection θ and the angle of the deflection of the alpha. Based on the relationships obtained from the MTS criterion, the failure criteria, the longitudinal angle of the theta failure and the lateral angle of the failure of the alpha are presented. Also, the role of Poisson's coefficient on these parameters is investigated in these graphs.

Keywords: most tangential tension criterion, longitudinal angle of failure, side angle of fracture, drills crack

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2485 High-Pressure Calculations of the Elastic Properties of ZnSx Se 1−x Alloy in the Virtual-Crystal Approximation

Authors: N. Lebga, Kh. Bouamama, K. Kassali

Abstract:

We report first-principles calculation results on the structural and elastic properties of ZnS x Se1−x alloy for which we employed the virtual crystal approximation provided with the ABINIT program. The calculations done using density functional theory within the local density approximation and employing the virtual-crystal approximation, we made a comparative study between the numerical results obtained from ab-initio calculation using ABINIT or Wien2k within the Density Functional Theory framework with either Local Density Approximation or Generalized Gradient approximation and the pseudo-potential plane-wave method with the Hartwigzen Goedecker Hutter scheme potentials. It is found that the lattice parameter, the phase transition pressure, and the elastic constants (and their derivative with respect to the pressure) follow a quadratic law in x. The variation of the elastic constants is also numerically studied and the phase transformations are discussed in relation to the mechanical stability criteria.

Keywords: density functional theory, elastic properties, ZnS, ZnSe,

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2484 Native Point Defects in ZnO

Authors: A. M. Gsiea, J. P. Goss, P. R. Briddon, Ramadan. M. Al-habashi, K. M. Etmimi, Khaled. A. S. Marghani

Abstract:

Using first-principles methods based on density functional theory and pseudopotentials, we have performed a details study of native defects in ZnO. Native point defects are unlikely to be cause of the unintentional n-type conductivity. Oxygen vacancies, which considered most often been invoked as shallow donors, have high formation energies in n-type ZnO, in edition are a deep donors. Zinc interstitials are shallow donors, with high formation energies in n-type ZnO, and thus unlikely to be responsible on their own for unintentional n-type conductivity under equilibrium conditions, as well as Zn antisites which have higher formation energies than zinc interstitials. Zinc vacancies are deep acceptors with low formation energies for n-type and in which case they will not play role in p-type coductivity of ZnO. Oxygen interstitials are stable in the form of electrically inactive split interstitials as well as deep acceptors at the octahedral interstitial site under n-type conditions. Our results may provide a guide to experimental studies of point defects in ZnO.

Keywords: DFT, native, n-type, ZnO

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2483 First Principles Study of Structural and Elastic Properties of BaWO4 Scheelite Phase Structure under Pressure

Authors: Abdennour Benmakhlouf, Abdelouahab Bentabet

Abstract:

In this paper, we investigated the athermal pressure behavior of the structural and elastic properties of scheelite BaWO4 phase up to 7 GPa using the ab initio pseudo-potential method. The calculated lattice parameters pressure relation have been compared with the experimental values and found to be in good agreement with these results. Moreover, we present for the first time the investigation of the elastic properties of this compound using the density functional perturbation theory (DFPT). It is shown that this phase is mechanically stable up to 7 GPa after analyzing the calculated elastic constants. Other relevant quantities such as bulk modulus, pressure derivative of bulk modulus, shear modulus; Young’s modulus, Poisson’s ratio, anisotropy factors, Debye temperature and sound velocity have been calculated. The obtained results, which are reported for the first time to the best of the author’s knowledge, can facilitate assessment of possible applications of the title material.

Keywords: pseudo-potential method, pressure, structural and elastic properties, scheelite BaWO4 phase

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2482 Literary Translation Human vs Machine: An Essay about Online Translation

Authors: F. L. Bernardo, R. A. S. Zacarias

Abstract:

The ways to translate are manifold since textual genres undergoing translations are diverse. In this essay, our goal is to give special attention to the literary genre and to the online translation tool Google Translate (GT), widely used either by nonprofessionals or by scholars, in order to show evidence of the indispensability of human wit in a good translation. Our study has its basis on a literary review of prominent authors, with emphasis on translation categories. Also highlighting the issue of polysemous literary translation, we aim to shed light on the translator’s craft and the fallible nature of online translation. To better illustrate these principles, the methodology consisted on performing a comparative analysis involving the original text Moll Flanders by Daniel Defoe in English to its online translation given by GT and to a translation into Brazilian Portuguese performed by a human. We proceeded to identifying and analyzing the degrees of textual equivalence according to the following categories: volume, levels and order. The results have attested the unsuitability in a translation done by a computer connected to the World Wide Web.

Keywords: Google Translator, human translation, literary translation, Moll Flanders

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2481 Spin-Dipole Excitations Produced On-Demand in the Fermi Sea

Authors: Mykhailo Moskalets, Pablo Burset, Benjamin Roussel, Christian Flindt

Abstract:

The single-particle injection from the Andreev level and how such injection is simulated using a voltage pulse are discussed. Recently, high-speed quantum-coherent electron sources injecting one- to few-particle excitations into the Fermi sea have been experimentally realized. The main obstacle to using these excitations as flying qubits for quantum-information processing purposes is decoherence due to the long-range Coulomb interaction. An obvious way to get around this difficulty is to employ electrically neutral excitations. Here it is discussed how such excitations can be generated on-demand using the same injection principles as in existing electron sources. Namely, with the help of a voltage pulse of a certain shape applied to the Fermi sea or using a driven quantum dot with superconducting correlations. The advantage of the latter approach is the possibility of varying the electron-hole content in the excitation and the possibility of creating a charge-neutral but spin-dipole excitation.

Keywords: Andreev level, on-demand, single-electron, spin-dipole

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2480 Tetra Butyl Ammonium Cyanate Mediated Selective Synthesis of Sulfonyltriuret and Their Investigation towards Trypsin Protease Modulation

Authors: Amarjyoti Das Mahapatra, Umesh Kumar, Bhaskar Datta

Abstract:

A pseudo peptide can mimic the biological or structural properties of natural peptides. They have become an increasing attention in medicinal chemistry because of their interesting advantages like more bioavailability and less biodegradation than compare to the physiologically active native peptides which increase their therapeutic applications. Many biologically active compounds contain urea as functional groups, and they have improved pharmacokinetic properties because of their bioavailability and metabolic stability. Recently we have reported a single-step synthesis of sulfonyl urea and sulfonyltriuret from sulfonyl chloride and sodium cyanate. But the yield of sulfonyltriuret was less around 40-60% because of the formation of other products like sulfonamide and sulfonylureas. In the present work, we mainly focused on the selective synthesis of sulfonyltriuret using tetrabutylammonium cyanate and sulfonyl chloride. More precisely, we are interested in the controlled synthesis of oligomeric urea mainly sulfonyltriuret as a new class of pseudo peptide and their application as protease modulators. The distinctive architecture of these molecules in the form of their pseudo-peptide backbone offers promise as a potential pharmacophore. The synthesized molecules have been screened on trypsin enzyme, and we observed that these molecules are the efficient modulator of trypsin enzyme.

Keywords: pseudo peptide, pharmacophore, sulfonyltriuret, trypsin

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2479 Effect of Wettability Alteration in Low Salt Water Injection Modeling

Authors: H. Vahdani

Abstract:

By the adsorption of polar compounds and/or the deposition of organic material, the wettability of originally water-wet reservoir rock can be altered. The degree of alteration is determined by the interaction of the oil constituents, the mineral surface, and the brine chemistry. Recently improving oil recovery by tuning wettability alteration is believed as a new recovery method. Various researchers have demonstrated that low salt water injection has a significant impact on oil recovery. It has been shown, for instance, that additional oil can be produced from reservoir rock by managing the injection water. Large wettability sensitivity has been observed, indicating that the oil/water capillary pressure profiles play a major role during low saline water injection simulation. Although the exact physics on how this alteration occurs is still a research topic; however, it has been reported that some of its effect can be captured by a relative permeability shift from an oil-wet system to a water-wet system. Modeling of low salt water injection mainly is based on the theory of wettability alteration and is hence strongly dependent on the wettability of the reservoir. In this article, combination of different wettabilities has been simulated and it is observed that the highest recoveries were from the cases were the reservoir initially was water-wet, and the lowest recoveries was from the cases were the reservoir initially was considered oil-wet. However for the cases where the reservoir initially was oil-wet, the effect of low-salinity waterflooding was the largest.

Keywords: low salt water injection, wettability alteration, modelling, relative permeability

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2478 Park Improvements in a High-Density City: Ecological, Social and Economy Concerns

Authors: Yuchen Niu, Liang Zhao, Fangfang Xie, Weiyu Liu

Abstract:

In the past decades, rapid urbanization in China has significantly promoted economic growth and caused a large number of environmental problems. In consideration of land resources shortage, high-density cities will become a common phenomenon in the future. How to improve the living environment under high density is a new challenge. Shenzhen is a typical high-density city, but also the forefront of China's development and reform area. This study selects 9 urban parks with different natural attributes in Shenzhen and explores the relationship of natural, economic, and social conditions within the service scope. Based on correlation analysis and system analysis, the results indicate that improvement of park design and management methods contribute to obtaining higher ecological value and promote economic and social development.

Keywords: correlation analysis, high-density city, park improvement, urban green spaces

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2477 Chemical Modification of Jute Fibers with Oxidative Agents for Usability as Reinforcement in Polymeric Composites

Authors: Yasemin Seki, Aysun Akşit

Abstract:

The goal of this research is to modify the surface characterization of jute yarns with different chemical agents to improve the compatibility with a non-polar polymer, polypropylene, when used as reinforcement. A literature review provided no knowledge on surface treatment of jute fibers with sodium perborate trihydrate. This study also aims to compare the efficiency of sodium perborate trihydrate on jute fiber treatment with other commonly used chemical agents. Accordingly, jute yarns were treated with 0.02% potassium dichromate (PD), potassium permanganate (PM) and sodium perborate trihydrate (SP) aqueous solutions in order to enhance interfacial compatibility with polypropylene in this study. The effect of treatments on surface topography, surface chemistry and interfacial shear strength of jute yarns with polypropylene were investigated. XPS results revealed that surface treatments enhanced surface hydrophobicity by increasing C/O ratios of fiber surface. Surface roughness values increased with the treatments. The highest interfacial adhesion with polypropylene was achieved after SP treatment by providing the highest surface roughness values and hydrophobic character of jute fiber.

Keywords: jute, chemical modification, sodium perborate, polypropylene

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2476 A Deterministic Large Deviation Model Based on Complex N-Body Systems

Authors: David C. Ni

Abstract:

In the previous efforts, we constructed N-Body Systems by an extended Blaschke product (EBP), which represents a non-temporal and nonlinear extension of Lorentz transformation. In this construction, we rely only on two parameters, nonlinear degree, and relative momentum to characterize the systems. We further explored root computation via iteration with an algorithm extended from Jenkins-Traub method. The solution sets demonstrate a form of σ+ i [-t, t], where σ and t are the real numbers, and the [-t, t] shows various canonical distributions. In this paper, we correlate the convergent sets in the original domain with solution sets, which demonstrating large-deviation distributions in the codomain. We proceed to compare our approach with the formula or principles, such as Donsker-Varadhan and Wentzell-Freidlin theories. The deterministic model based on this construction allows us to explore applications in the areas of finance and statistical mechanics.

Keywords: nonlinear Lorentz transformation, Blaschke equation, iteration solutions, root computation, large deviation distribution, deterministic model

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2475 Application of Subversion Analysis in the Search for the Causes of Cracking in a Marine Engine Injector Nozzle

Authors: Leszek Chybowski, Artur Bejger, Katarzyna Gawdzińska

Abstract:

Subversion analysis is a tool used in the TRIZ (Theory of Inventive Problem Solving) methodology. This article introduces the history and describes the process of subversion analysis, as well as function analysis and analysis of the resources, used at the design stage when generating possible undesirable situations. The article charts the course of subversion analysis when applied to a fuel injection nozzle of a marine engine. The work describes the fuel injector nozzle as a technological system and presents principles of analysis for the causes of a cracked tip of the nozzle body. The system is modelled with functional analysis. A search for potential causes of the damage is undertaken and a cause-and-effect analysis for various hypotheses concerning the damage is drawn up. The importance of particular hypotheses is evaluated and the most likely causes of damage identified.

Keywords: complex technical system, fuel injector, function analysis, importance analysis, resource analysis, sabotage analysis, subversion analysis, TRIZ (Theory of Inventive Problem Solving)

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2474 Synthesis, Electrochemical and Fluorimetric Analysis of Caffeic Cinnamic and Acid-Conjugated Hemorphine Derivatives Designed as Potential Anticonvulsant Agents

Authors: Jana Tchekalarova, Stela Georgieva, Petia Peneva, Petar Todorov

Abstract:

In the present study, a series of bioconjugates of N-modified hemorphine analogs containing second pharmacophore cinnamic acids (CA) or caffeic acid (KA) were synthesized by a traditional solid-phase Fmoc chemistry method for peptide synthesis. Electrochemical and fluorometric analysis and in vivo anticonvulsant activity in mice were conducted on the compounds. The three CA (H4-CA, H5-CA, and H7-CA) and three KA (H4-KA, H5-KA, and H7-KA)-conjugated hemorphine derivatives showed dose-dependent anticonvulsant activity in the maximal electroshock test (MES) in mice. The KA-conjugated H5-KA derivate was the only compound that suppressed clonic seizures at the lowest dose of 0.5 µg/mouse in the scPTZ test. The activity against the psychomotor seizures in the 6-Hz test was detected only for the H4-CA (0.5 µg) and H4-KA (0.5 µg and 1 µg), respectively. The peptide derivates did not exhibit neurotoxicity in the rotarod test. Our findings suggest that conjugated CA and KA hemorphine peptides can be used as a background for developing hemorphin-related analogs with anticonvulsant activity. Acknowledgments: This study is funded by the European Union-NextGenerationEU, through the National Recovery and Resilience Plan of the Republic of Bulgaria, project № BG-RRP-2.004-0002, "BiOrgaMCT".

Keywords: hemorphins, SPSS, caffeic/cinnamic acid, anticonvulsant activity, electrochemistry, fluorimetry

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2473 A User Centred Based Approach for Designing Everyday Product: A Case Study of an Alarm Clock

Authors: Obokhai Kess Asikhia

Abstract:

This work explores design concept generation by understanding user needs through observation and interview. The aim is to examine several principles and guidelines in obtaining evidence from observing how users interact with the targeted product and interviewing them to acquire deep insights of their needs. With the help of Quality Function Deployment (QFD), the identified needs of the users while interacting with the product were ranked using the normalised weighting approach. Furthermore, a low fidelity prototype of the alarm clock is developed with a view of addressing the identified needs of the users. Finally, the low fidelity prototype design was evaluated with two design prototypes already existing in the market through a study involving 30 participants. Preliminary results reveal higher performance ratings by the majority of the participants of the new prototype compared to the other existing alarm clocks in the market used in the study.

Keywords: design concept, low fidelity prototype, normalised weighting approach, quality function deployment, user needs

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2472 Development of Loop-Mediated Isothermal Amplification for Detection of Garlic in Food

Authors: Ting-Ying Su, Meng-Shiou Lee, Shyang-Chwen Sheu

Abstract:

Garlic is used commonly as a seasoning around the world. But some people suffer from allergy to garlic. Garlic may also cause burning of mouth, stomach, and throat. In some Buddhist traditions, consuming garlic is not allowed. The objective of this study is to develop a LAMP based method for detection of garlic in food. We designed specific primers targeted on ITS1-5.8S rRNA-ITS2 sequence of garlic DNA. The LAMP assay was performed using a set of four different primers F3, B3, FIP and BIP at 60˚C in less than 60 mins. Results showed that the primer was not cross-reactive to other commonly used spice including Chinese leek, Chinese onion, green onion, onion, pepper, basil, parsley, pepper and ginger. As low as 2% of garlic DNA could be detected. Garlic still could be detected by developed LAMP after boiled at 100˚C for 80 minutes and autoclaved at 121˚C for 60 minutes. Commercial products labeled with garlic ingredient could be identified by the developed method.

Keywords: garlic, loop-mediated isothermal amplification, processing, DNA

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2471 Managing Networks and Systems in the Modern Security Landscape: An Integrated Approach to Infrastructure Resilience

Authors: Oussama Yadine, Abdellah Jamali

Abstract:

The rapid evolution of today's technology ecosystem, marked by the fusion of cloud computing, IoT, and distributed systems, has introduced complex security challenges in network and systems administration. Our research develops a framework that seamlessly merges contemporary systems administration with advanced security engineering methodologies, particularly focusing on DevSecOps implementation and zero-trust architectural principles. Comprehensive testing and analysis across diverse organizational environments reveal that this unified approach achieves remarkable results: a 47% decrease in security-related incidents while consistently maintaining 99.9% system uptime. The framework delivers actionable guidelines for deploying secure infrastructure architectures, automating compliance oversight, and implementing dynamic security protocols. This integration effectively eliminates the historical divide between systems administration and security engineering, fostering an environment where operational efficiency and security resilience coexist harmoniously.

Keywords: network security, systems administration, security engineering, infrastructure resilience

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2470 An ab initioStudy of the Structural, Elastic, Electronic, and Optical Properties of the Perovskite ScRhO3

Authors: L. Foudia, K. Haddadi, M. Reffas

Abstract:

First principles study of structural, elastic, electronic and optical properties of the monoclinic perovskite type ScRhO₃ has been reported using the pseudo-potential plane wave method within the local density approximation. The calculated lattice parameters, including the lattice constants and angle β, are in excellent agreement with the available experimental data, which proving the reliability of the chosen theoretical approach. Pressure dependence up to 20 GPa of the single crystal and polycrystalline elastic constants has been investigated in details using the strain-stress approach. The mechanical stability, ductility, average elastic wave velocity, Debye temperature and elastic anisotropy were also assessed. Electronic band structure and density of states (DOS) demonstrated its semiconducting nature showing a direct band gap of 1.38 eV. Furthermore, several optical properties, such as absorption coefficient, reflectivity, refractive index, dielectric function, optical conductivity and electron energy loss function, have been calculated for radiation up to 40 eV.

Keywords: ab-initio, perovskite, DFT, band gap

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2469 Accuracy of a 3D-Printed Polymer Model for Producing Casting Mold

Authors: Ariangelo Hauer Dias Filho, Gustavo Antoniácomi de Carvalho, Benjamim de Melo Carvalho

Abstract:

The work´s purpose was to evaluate the possibility of manufacturing casting tools utilizing Fused Filament Fabrication, a 3D printing technique, without any post-processing on the printed part. Taguchi Orthogonal array was used to evaluate the influence of extrusion temperature, bed temperature, layer height, and infill on the dimensional accuracy of a 3D-Printed Polymer Model. A Zeiss T-SCAN CS 3D Scanner was used for dimensional evaluation of the printed parts within the limit of ±0,2 mm. The mold capabilities were tested with the printed model to check how it would interact with the green sand. With little adjustments in the 3D model, it was possible to produce rapid tools without the need for post-processing for iron casting. The results are important for reducing time and cost in the development of such tools.

Keywords: additive manufacturing, Taguchi method, rapid tooling, fused filament fabrication, casting mold

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2468 Assessing the Socio-Economic Problems and Environmental Implications of Green Revolution In Uttar Pradesh, India

Authors: Naima Umar

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Mid-1960’s has been landmark in the history of Indian agriculture. It was in 1966-67 when a New Agricultural Strategy was put into practice to tide over chronic shortages of food grains in the country. This strategy adopted was the use High-Yielding Varieties (HYV) of seeds (wheat and rice), which was popularly known as the Green Revolution. This phase of agricultural development has saved us from hunger and starvation and made the peasants more confident than ever before, but it has also created a number of socio-economic and environmental implications such as the reduction in area under forest, salinization, waterlogging, soil erosion, lowering of underground water table, soil, water and air pollution, decline in soil fertility, silting of rivers and emergence of several diseases and health hazards. The state of Uttar Pradesh in the north is bounded by the country of Nepal, the states of Uttrakhand on the northwest, Haryana on the west, Rajasthan on the southwest, Madhya Pradesh on the south and southwest, and Bihar on the east. It is situated between 23052´N and 31028´N latitudes and 7703´ and 84039´E longitudes. It is the fifth largest state of the country in terms of area, and first in terms of population. Forming the part of Ganga plain the state is crossed by a number of rivers which originate from the snowy peaks of Himalayas. The fertile plain of the Ganga has led to a high concentration of population with high density and the dominance of agriculture as an economic activity. Present paper highlights the negative impact of new agricultural technology on health of the people and environment and will attempt to find out factors which are responsible for these implications. Karl Pearson’s Correlation coefficient technique has been applied by selecting 1 dependent variable (i.e. Productivity Index) and some independent variables which may impact crop productivity in the districts of the state. These variables have categorized as: X1 (Cropping Intensity), X2 (Net irrigated area), X3 (Canal Irrigated area), X4 (Tube-well Irrigated area), X5 (Irrigated area by other sources), X6 (Consumption of chemical fertilizers (NPK) Kg. /ha.), X7 (Number of wooden plough), X8 (Number of iron plough), X9 (Number of harrows and cultivators), X10 (Number of thresher machines), X11(Number of sprayers), X12 (Number of sowing instruments), X13 (Number of tractors) and X14 (Consumption of insecticides and pesticides (in Kg. /000 ha.). The entire data during 2001-2005 and 2006- 2010 have been taken and 5 years average value is taken into consideration, based on secondary sources obtained from various government, organizations, master plan report, economic abstracts, district census handbooks and village and town directories etc,. put on a standard computer programmed SPSS and the results obtained have been properly tabulated.

Keywords: agricultural technology, environmental implications, health hazards, socio-economic problems

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2467 Separation of Lanthanides Ions from Mineral Waste with Functionalized Pillar[5]Arenes: Synthesis, Physicochemical Characterization and Molecular Dynamics Studies

Authors: Ariesny Vera, Rodrigo Montecinos

Abstract:

The rare-earth elements (REEs) or rare-earth metals (REMs), correspond to seventeen chemical elements composed by the fifteen lanthanoids, as well as scandium and yttrium. Lanthanoids corresponds to lanthanum and the f-block elements, from cerium to lutetium. Scandium and yttrium are considered rare-earth elements because they have ionic radii similar to the lighter f-block elements. These elements were called rare earths because they are simply more difficult to extract and separate individually than the most metals and, generally, they do not accumulate in minerals, they are rarely found in easily mined ores and are often unfavorably distributed in common ores/minerals. REEs show unique chemical and physical properties, in comparison to the other metals in the periodic table. Nowadays, these physicochemical properties are utilized in a wide range of synthetic, catalytic, electronic, medicinal, and military applications. Because of their applications, the global demand for rare earth metals is becoming progressively more important in the transition to a self-sustaining society and greener economy. However, due to the difficult separation between lanthanoid ions, the high cost and pollution of these processes, the scientists search the development of a method that combines selectivity and quantitative separation of lanthanoids from the leaching liquor, while being more economical and environmentally friendly processes. This motivation has favored the design and development of more efficient and environmentally friendly cation extractors with the incorporation of compounds as ionic liquids, membrane inclusion polymers (PIM) and supramolecular systems. Supramolecular chemistry focuses on the development of host-guest systems, in which a host molecule can recognize and bind a certain guest molecule or ion. Normally, the formation of a host-guest complex involves non-covalent interactions Additionally, host-guest interactions can be influenced among others effects by the structural nature of host and guests. The different macrocyclic hosts for lanthanoid species that have been studied are crown ethers, cyclodextrins, cucurbituryls, calixarenes and pillararenes.Among all the factors that can influence and affect lanthanoid (III) coordination, perhaps the most basic of them is the systematic control using macrocyclic substituents that promote a selective coordination. In this sense, macrocycles pillar[n]arenes (P[n]As) present a relatively easy functionalization and they have more π-rich cavity than other host molecules. This gives to P[n]As a negative electrostatic potential in the cavity which would be responsible for the selectivity of these compounds towards cations. Furthermore, the cavity size, the linker, and the functional groups of the polar headgroups could be modified in order to control the association of lanthanoid cations. In this sense, different P[n]As systems, specifically derivatives of the pentamer P[5]A functionalized with amide, amine, phosphate and sulfate derivatives, have been designed in terms of experimental synthesis and molecular dynamics, and the interaction between these P[5]As and some lanthanoid ions such as La³+, Eu³+ and Lu³+ has been studied by physicochemical characterization by 1H-NMR, ITC and fluorescence in the case of Eu³+ systems. The molecular dynamics study of these systems was developed in hexane as solvent, also taking into account the lanthanoid ions mentioned above, and the respective comparison studies between the different ions.

Keywords: lanthanoids, macrocycles, pillar[n]arenes, rare-earth metal extraction, supramolecular chemistry, supramolecular complexes.

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2466 Structural Safety of Biocomposites under Cracking: A Fracture Analytical Approach using the Gғ-Concept

Authors: Brandtner-Hafner Martin

Abstract:

Biocomposites have established themselves as a sustainable material class in the industry. Their advantages include lower density, lower price, and easier recycling compared to conventional materials. Now there are a variety of ways to measure their technical performance. One possibility is mechanical tests, which are widely used and standardized. However, these provide only very limited insights into damage capacity, which is particularly problematic under cracking conditions. To overcome such shortcomings, experimental tests were performed applying the fracture energetically GF-concept to study the structural safety of the interface under crack opening (mode-I loading). Two different types of biocomposites based on extruded henequen-fibers (NFRP) and wood-particles (WPC) in an HDPE matrix were evaluated. The results show that the fracture energy values obtained are higher than those given in the literature. This suggests that alternatives to previous linear elastic testing methods are needed to perform authentic safety evaluations of green plastics.

Keywords: biocomposites, structural safety, Gғ-concept, fracture analysis

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2465 From 'Segregation' to 'Integration': The Dynamic Mechanism of Residential Segregation and the Responsive Sustainable Regeneration Methods in China

Authors: Yang Chen

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The property-led regeneration has played an important role in the process of rapid urbanization during the past twenty years in China, but it is also been criticized unsustainable as it always focuses on the economic aspect and overlooks the social issues, especially it has exacerbated the residential segregation in the inner city. Based on author’s studying the area around Nanjing railway station, this paper demonstrates that residential segregation indeed exists in the inner city through synthetic analysis on patterns of residents’ living, consumption and welfare, and to some extent, the segregation distribution characteristics represent in a concentric ring model. According to author’s further investigation on the property right and age of the dwelling buildings, the housing-commercialization-led regeneration is defined as the mainspring of the segregation. To solve these problems, the system of sustainable community should be established in both policy and practice, above all, well-designed public facilities including green infrastructure will be appropriate to promote the residential integration and sustainable development in contemporary China.

Keywords: China, dynamic mechanism, residential segregation, sustainable regeneration

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2464 Nazi Experiments during World War II: Dismal Period for Bioethics

Authors: Catharina O. Vianna Dias da Silva, Amanda F. Batista, Ana Clara C. Burgos Lessa, Carolina S. Lucchesi Ramacciotti, Maria Clara B. de Andrade, Roberto de B. Silva

Abstract:

This article aims to analyze the bioethical aspects related to the historical practices of experiments on humans that occurred in Nazi Germany during the period of World War II (1939-1945). The method was based on the bibliographic review of articles published in databases such as SciELO and Pubmed. In the discussion, historical and humanistic aspects that contributed to the construction of a genocidal culture practiced during this period were analyzed. Additionally, an ethical question arises: should the information acquired during this dark period be used by science? After analysis, it was found that these Nazi experiments went over medical and ethical principles, being a deplorable milestone in history. It was also concluded that, although they generated potentially 'useful' results in the scientific field, they should be discarded as an ethical question of principle, of never daring to validate such a deplorable way of obtaining knowledge.

Keywords: Nazism, bioethics, human experimentation, human rights, genocide, torture, medicine

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2463 Evaluation of Sustained Improvement in Trauma Education Approaches for the College of Emergency Nursing Australasia Trauma Nursing Program

Authors: Pauline Calleja, Brooke Alexander

Abstract:

In 2010 the College of Emergency Nursing Australasia (CENA) undertook sole administration of the Trauma Nursing Program (TNP) across Australia. The original TNP was developed from recommendations by the Review of Trauma and Emergency Services-Victoria. While participant and faculty feedback about the program was positive, issues were identified that were common for industry training programs in Australia. These issues included didactic approaches, with many lectures and little interaction/activity for participants. Participants were not necessarily encouraged to undertake deep learning due to the teaching and learning principles underpinning the course, and thus participants described having to learn by rote, and only gain a surface understanding of principles that were not always applied to their working context. In Australia, a trauma or emergency nurse may work in variable contexts that impact on practice, especially where resources influence scope and capacity of hospitals to provide trauma care. In 2011, a program review was undertaken resulting in major changes to the curriculum, teaching, learning and assessment approaches. The aim was to improve learning including a greater emphasis on pre-program preparation for participants, the learning environment and clinically applicable contextualized outcomes participants experienced. Previously if participants wished to undertake assessment, they were given a take home examination. The assessment had poor uptake and return, and provided no rigor since assessment was not invigilated. A new assessment structure was enacted with an invigilated examination during course hours. These changes were implemented in early 2012 with great improvement in both faculty and participant satisfaction. This presentation reports on a comparison of participant evaluations collected from courses post implementation in 2012 and in 2015 to evaluate if positive changes were sustained. Methods: Descriptive statistics were applied in analyzing evaluations. Since all questions had more than 20% of cells with a count of <5, Fisher’s Exact Test was used to identify significance (p = <0.05) between groups. Results: A total of fourteen group evaluations were included in this analysis, seven CENA TNP groups from 2012 and seven from 2015 (randomly chosen). A total of 173 participant evaluations were collated (n = 81 from 2012 and 92 from 2015). All course evaluations were anonymous, and nine of the original 14 questions were applicable for this evaluation. All questions were rated by participants on a five-point Likert scale. While all items showed improvement from 2012 to 2015, significant improvement was noted in two items. These were in regard to the content being delivered in a way that met participant learning needs and satisfaction with the length and pace of the program. Evaluation of written comments supports these results. Discussion: The aim of redeveloping the CENA TNP was to improve learning and satisfaction for participants. These results demonstrate that initial improvements in 2012 were able to be maintained and in two essential areas significantly improved. Changes that increased participant engagement, support and contextualization of course materials were essential for CENA TNP evolution.

Keywords: emergency nursing education, industry training programs, teaching and learning, trauma education

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2462 Designing Agile Product Development Processes by Transferring Mechanisms of Action Used in Agile Software Development

Authors: Guenther Schuh, Michael Riesener, Jan Kantelberg

Abstract:

Due to the fugacity of markets and the reduction of product lifecycles, manufacturing companies from high-wage countries are nowadays faced with the challenge to place more innovative products within even shorter development time on the market. At the same time, volatile customer requirements have to be satisfied in order to successfully differentiate from market competitors. One potential approach to address the explained challenges is provided by agile values and principles. These agile values and principles already proofed their success within software development projects in the form of management frameworks like Scrum or concrete procedure models such as Extreme Programming or Crystal Clear. Those models lead to significant improvements regarding quality, costs and development time and are therefore used within most software development projects. Motivated by the success within the software industry, manufacturing companies have tried to transfer agile mechanisms of action to the development of hardware products ever since. Though first empirical studies show similar effects in the agile development of hardware products, no comprehensive procedure model for the design of development iterations has been developed for hardware development yet due to different constraints of the domains. For this reason, this paper focusses on the design of agile product development processes by transferring mechanisms of action used in agile software development towards product development. This is conducted by decomposing the individual systems 'product development' and 'agile software development' into relevant elements and symbiotically composing the elements of both systems in respect of the design of agile product development processes afterwards. In a first step, existing product development processes are described following existing approaches of the system theory. By analyzing existing case studies from industrial companies as well as academic approaches, characteristic objectives, activities and artefacts are identified within a target-, action- and object-system. In partial model two, mechanisms of action are derived from existing procedure models of agile software development. These mechanisms of action are classified in a superior strategy level, in a system level comprising characteristic, domain-independent activities and their cause-effect relationships as well as in an activity-based element level. Within partial model three, the influence of the identified agile mechanism of action towards the characteristic system elements of product development processes is analyzed. For this reason, target-, action- and object-system of the product development are compared with the strategy-, system- and element-level of agile mechanism of action by using the graph theory. Furthermore, the necessity of existence of activities within iteration can be determined by defining activity-specific degrees of freedom. Based on this analysis, agile product development processes are designed in form of different types of iterations within a last step. By defining iteration-differentiating characteristics and their interdependencies, a logic for the configuration of activities, their form of execution as well as relevant artefacts for the specific iteration is developed. Furthermore, characteristic types of iteration for the agile product development are identified.

Keywords: activity-based process model, agile mechanisms of action, agile product development, degrees of freedom

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2461 Atwood's Canadianisms and Neologisms: A Cognitive Approach to Literature

Authors: Eleonora Sasso

Abstract:

This paper takes as its starting point the notions of cognitive linguistics and lexical blending, and uses both these theoretical concepts to advance a new reading of Margaret Atwood’s latest writings, one which sees them as paramount literary examples of norm and usage in bilingual Canadian lexicography. Atwood’s prose seems to be imbued with Canadianisms and neologisms, lexical blends of zoomorphic forms, a kind of meeting-point between two conceptual structures which follow the principles of lexical economy and asyntactic relation. Atwood’s neologisms also attest to the undeniable impact on language exerted by Canada’s aboriginal peoples. This paper aims to track through these references and with the aid of the Eskimo-English dictionary look at the linguistic issues – attitudes to contaminations and hybridisations, questions of lexical blending in literary examples, etc – which they raise. Atwood’s fiction, whose cognitive linguistic strategy employs ‘the virtues of scissors and matches’, always strives to achieve isomorphism between word form and concept.

Keywords: Atwood, Canadianisms, cognitive science, Eskimo/English dictionary

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2460 Benzoxaboralone: A Boronic Acid with High Oxidative Stability and Utility in Biological Contexts

Authors: Brian J. Graham, Ronald T. Raines

Abstract:

The presence of a nearly vacant p orbital on boron endows boronic acids with unique abilities as a catalyst and ligand. An organocatalytic process has been developed for the conversion of biomass-derived sugars to 5-hydroxymethylfurfural, which is a platform chemical. Specifically, 2-carboxyphenylboronic acid (2-CPBA) has been shown to be an optimal catalyst for this process, promoting the desired transformation in the absence of metals. The attributes of 2-CPBA as a catalyst led to additional investigations of its structure and reactivity. 2-CPBA was found to exist as a cyclized benzoxaborolone adduct rather than a free carboxylic acid. This cyclization has profound consequences for the oxidative stability of the boronic acid. Stereoelectronic effects within the oxaborolone ring destabilize the oxidation transition state by reducing electron donation from the cyclic oxygen to the developing p orbital on boron. That leads to a 10,000-fold increase in oxidative stability while maintaining the normal reactivity of boronic acids toward diols (e.g., carbohydrates) and nucleophiles in proteins while also presenting numerous hydrogen-bond accepting and donating groups. Thus, benzoxaborolones are useful in catalysis, chemical biology, medicinal chemistry, and allied fields.

Keywords: bioisosteres, boronic acid, catalysis, oxidative stability, pharmacophore, stereoelectronic effects

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2459 Enhancing Sustainability Awareness through Social Learning Experiences on Campuses

Authors: Rashika Sharma

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The campuses at tertiary institutes can act as a social environment for peer to peer connections. However, socialization is not the only aspect that campuses provide. The campus can act as a learning environment that has often been termed as the campus curriculum. Many tertiary institutes have taken steps to make their campus a ‘green campus’ whereby initiatives have been taken to reduce their impact on the environment. However, as visible as these initiatives are, it is debatable whether these have any effect on students’ and their understanding of sustainable campus operations. Therefore, research was conducted to evaluate the effectiveness of sustainable campus operations in raising students’ awareness of sustainability. Students at two vocational institutes participated in this interpretive research with data collected through surveys and focus groups. The findings indicated that majority of vocational education students remained oblivious of sustainability initiatives on campuses.

Keywords: campus learning, education for sustainability, social learning, vocational education

Procedia PDF Downloads 285