Search results for: chemical shifts
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 4759

Search results for: chemical shifts

4759 Study of Chemical State Analysis of Rubidium Compounds in Lα, Lβ₁, Lβ₃,₄ and Lγ₂,₃ X-Ray Emission Lines with Wavelength Dispersive X-Ray Fluorescence Spectrometer

Authors: Harpreet Singh Kainth

Abstract:

Rubidium salts have been commonly used as an electrolyte to improve the efficiency cycle of Li-ion batteries. In recent years, it has been implemented into the large scale for further technological advances to improve the performance rate and better cyclability in the batteries. X-ray absorption spectroscopy (XAS) is a powerful tool for obtaining the information in the electronic structure which involves the chemical state analysis in the active materials used in the batteries. However, this technique is not well suited for the industrial applications because it needs a synchrotron X-ray source and special sample file for in-situ measurements. In contrast to this, conventional wavelength dispersive X-ray fluorescence (WDXRF) spectrometer is nondestructive technique used to study the chemical shift in all transitions (K, L, M, …) and does not require any special pre-preparation planning. In the present work, the fluorescent Lα, Lβ₁ , Lβ₃,₄ and Lγ₂,₃ X-ray spectra of rubidium in different chemical forms (Rb₂CO₃ , RbCl, RbBr, and RbI) have been measured first time with high resolution wavelength dispersive X-ray fluorescence (WDXRF) spectrometer (Model: S8 TIGER, Bruker, Germany), equipped with an Rh anode X-ray tube (4-kW, 60 kV and 170 mA). In ₃₇Rb compounds, the measured energy shifts are in the range (-0.45 to - 1.71) eV for Lα X-ray peak, (0.02 to 0.21) eV for Lβ₁ , (0.04 to 0.21) eV for Lβ₃ , (0.15 to 0.43) eV for Lβ₄ and (0.22 to 0.75) eV for Lγ₂,₃ X-ray emission lines. The chemical shifts in rubidium compounds have been measured by considering Rb₂CO₃ compounds taking as a standard reference. A Voigt function is used to determine the central peak position of all compounds. Both positive and negative shifts have been observed in L shell emission lines. In Lα X-ray emission lines, all compounds show negative shift while in Lβ₁, Lβ₃,₄, and Lγ₂,₃ X-ray emission lines, all compounds show a positive shift. These positive and negative shifts result increase or decrease in X-ray energy shifts. It looks like that ligands attached with central metal atom attract or repel the electrons towards or away from the parent nucleus. This pulling and pushing character of rubidium affects the central peak position of the compounds which causes a chemical shift. To understand the chemical effect more briefly, factors like electro-negativity, line intensity ratio, effective charge and bond length are responsible for the chemical state analysis in rubidium compounds. The effective charge has been calculated from Suchet and Pauling method while the line intensity ratio has been calculated by calculating the area under the relevant emission peak. In the present work, it has been observed that electro-negativity, effective charge and intensity ratio (Lβ₁/Lα, Lβ₃,₄/Lα and Lγ₂,₃/Lα) are inversely proportional to the chemical shift (RbCl > RbBr > RbI), while bond length has been found directly proportional to the chemical shift (RbI > RbBr > RbCl).

Keywords: chemical shift in L emission lines, bond length, electro-negativity, effective charge, intensity ratio, Rubidium compounds, WDXRF spectrometer

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4758 Synthesis, Spectroscopic and Thermal Studies of Copper(I) Chlorido Complexes of Thioureas

Authors: Muhammad Mufakkar, Ghulam Hussain Bhatti, Maryem Rana

Abstract:

The study of the coordination behavior of thiones is of considerable interest due to the similarity of their binding sites to those in living systems. The complexation of thiones towards Copper(I) has also received considerable attraction in view of their variable bonding modes, structural diversity and promising biological implications. Copper (I) complexes of thioureas of the general formula: CuLCl, CuL2Cl and CuL3Cl [where L= Thiourea and its N- and N, N/- mono and di alkyl and phenyl derivatives] have been prepared using Cu(I)CN in the presence of HCl. The complexes have been characterized by thermal, IR and NMR(1H and 13C) spectroscopy. An upfield shift in 13C NMR and downfield shifts in 1H NMR are consistent with the sulfur coordination to Copper(I). The disappearance of a band around 2200 cm⁻¹ in IR and a resonance around 146 ppm in 13C NMR indicates that during the course of reaction the cyanide group of the Copper(I) salt has been replaced by chloride leading to the formation of chlorido complexes.

Keywords: Thiones, complexation, spectra, TGA, thermogram, chemical shifts, deshielding, resonance

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4757 British Aristocratic Irony on Screen: Subtitling Shifts in Downton Abbey

Authors: Nahed Almutairi

Abstract:

The subtitling process for period dramas implies a set of linguistic challenges. Audio-visual (AV) texts in this genre weave a rich tapestry of verbal irony blended with humor. The famous TV series Downtown Abbey contains such irony as one of the British aristocracy's linguistic markers. This study aims to examine subtitling strategies utilized in rendering such verbal irony. To counteract the negative postulated by Berman with the positive shifts, a qualitative analysis is conducted to examine the impact of the presence and absence of negative deforming tendencies in the Arabic subtitles of the first season of the British drama. This research is significant because it contributes to the discipline of translation studies, specifically the realm of AV translation. It seeks to provide a set of guidelines for optimal subtitling strategies that maintain the stylistic peculiarities of a social class that don’t exist in the target culture while also considering the practical aspects of translating subtitles. The findings indicate that negative shifts in the use of ironic expressions distort not only the stylistic elements of British aristocracy's utterances but also result in a loss of the intended meaning. This implies that what Berman’s model identifies as negative is also perceived as negative linguistic shifts in the Arabic subtitles of the British aristocracy’s verbal irony.

Keywords: Downton Abbey, deforming tendencies, berman, subtitling shifts, verbal irony

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4756 Functionality of Promotional and Advertising Texts: Pragmatic Implications for English-Arabic Translation

Authors: Jamal Gaber Abdalla

Abstract:

In business promotion and advertising, language is used intentionally to create a powerful influence over people and their behavior. In commercial and marketing activities, the choice of language to convey specific messages with the intention of influencing people is pragmatically important. Design and visual content in promotional and advertising texts also have a great persuasive impact on consumers. It is the functional combination of design, language and visual content that helps people to identify a product or service and remember it. Translating promotional and advertising texts between structurally and culturally different languages, such as English and Arabic, usually involves pragmatic/functional shifts that decide the quality of translation. This study explores some of these shifts in translating promotional and advertising texts between English and Arabic and their implications for translation quality. The study is based on a contrastive analysis of data collected from real samples of English-Arabic translations of promotional and advertising texts. The samples cover different promotional and advertising text types and different business domains. The aim is to identify the most recurrent translation shifts and most used translation approaches/strategies that achieve quality in view of the functional nature of promotional and advertising texts and target language culture conventions. The study shows that linguistic shifts and visual shifts are recurrent in English-Arabic translations of promotional and advertising texts. The study also shows that the most commonly used translation approaches/strategies are functional translation, domestication, communicative translation.

Keywords: advertising, Arabic, English, functional translation, promotion

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4755 Comparison of Marital Conflict Resolution Procedures and Parenting Styles between Nurses with Fixed and Rotating Shifts in Public Hospitals of Bandar Abbas, Iran

Authors: S. Abdolvahab Samavi, Kobra Hajializadeh, S. Abdolhadi Samavi

Abstract:

Nursing is a critical work that that can effect on the health of the society. A parenting style is a psychological construct demonstrating standard policies that parents use in their child rearing. The quality of parenting is more critical than the quantity spend with the child. Also, marital Conflict resolution is conceptualized as the methods and processes involved in facilitating the peaceful ending of conflict between couples. Both of these variables were affected by job status in nurses. Aim of this study was to compare the Marital Conflict Resolution and Parenting Styles between Nurses with fixed and rotating shifts in public hospitals of Bandar Abbas, Iran. Statistical population includes all married Nurses in hospitals of Bandar Abbas (900 Persons). For sample size estimation, the Morgan table was used, 270 people were selected by random sampling method. Conflict solution styles and Baumrind parenting styles questionnaire were used for collecting data about study variables. For analysis of data, descriptive and inferential statistics were used. Results showed there was significant difference between both groups in conflict solution styles. According to study results, nurses with fixed shifts had an effective conflict solution styles. Also, there was significant difference between both groups in Parenting Styles. According to study results, nurses with fixed shifts had an effective parenting style. Totally, results of this study showed that job status of nurses affected on Marital Conflict Resolution and Parenting Styles of nurses. Managers of health system should be consider these issues about work of nurses and if possible, married nurses employed at fixed day (vs. rotating) shift.

Keywords: marital conflict resolution procedures, parenting styles, nurses with fixed and rotating shifts, public hospitals

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4754 Relational Attention Shift on Images Using Bu-Td Architecture and Sequential Structure Revealing

Authors: Alona Faktor

Abstract:

In this work, we present a NN-based computational model that can perform attention shifts according to high-level instruction. The instruction specifies the type of attentional shift using explicit geometrical relation. The instruction also can be of cognitive nature, specifying more complex human-human interaction or human-object interaction, or object-object interaction. Applying this approach sequentially allows obtaining a structural description of an image. A novel data-set of interacting humans and objects is constructed using a computer graphics engine. Using this data, we perform systematic research of relational segmentation shifts.

Keywords: cognitive science, attentin, deep learning, generalization

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4753 Study of the Azo Hydrazone Tautomerism in the 4-(9-Anthrylazo) Phenol

Authors: Ramadan Ali Bawa, Ebtisam Mohammed Alzaraide

Abstract:

The spectroscopic study on 4-(9-anthrylazo) phenol has revealed that the azo dye under study exists in two tautomeric forms which are azo phenol and hydrazo keto forms in ratio of almost (1:1). The azo hydrazone tautomerism was confirmed by the use of IR spectroscopy and HNMR in which the characteristic absorption bands and chemical shifts for both tautomers were assigned.

Keywords: spectroscopic, tautomeric forms, azo hydrazone tautomerism, IR spectroscopy, HNMR

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4752 Working Hours of Nurses in Public Hospitals: An Analyse Based on Working Schedules

Authors: Feride Eskin Bacaksiz, Arzu K. Harmanci Seren

Abstract:

The problems about the working hours of nursing personnel, such as overworking, numbers of night or daytime shifts, is stated one of the most complained issues by nurses. Otherwise, besides of nursing shortage, absenteeism of nurses because of sickness, some other health problems, or other reasons enforces nurse managers to make working schedules. In this study, it was aimed to analyse and evaluate the working schedules of nurses working in public hospitals. Working schedule lists of nursing personnel for the months of October and November in two public hospitals were analysed and evaluated. Approvals were acquired from the head nurse managers. Descriptive and comparative analyses were used. Totally 36 lists were analysed from two hospitals. There were totally 416 nurses (manager nurse: 25, nurse: 391) and 6-28 (12.6, SD=5.34) nurses in each list. It was found that nurses were working 8 (42.5%), 12 (27.9%) and 16 (20%) hours, in inpatient clinics (74.8%). Totally 20.2% of the nurses were absent during analysing time due to the annual, paid or unpaid leaves. Nurses were generally working 20-112 hours (80.27, SD=11.92). Most of the nurses over worked 1.5-443 hours (47.436, SD=60.78) the year before that year. It was determined that 11.8% of the nurses (n: 49) were working only night shifts and 42.1% (n: 175) of the nurses were working only daytime shifts. It was found that there were inequities in the working hours of nurses.

Keywords: nurse, public hospitals, working conditions, working schedules

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4751 Procedure to Optimize the Performance of Chemical Laser Using the Genetic Algorithm Optimizations

Authors: Mohammedi Ferhate

Abstract:

This work presents details of the study of the entire flow inside the facility where the exothermic chemical reaction process in the chemical laser cavity is analyzed. In our paper we will describe the principles of chemical lasers where flow reversal is produced by chemical reactions. We explain the device for converting chemical potential energy laser energy. We see that the phenomenon thus has an explosive trend. Finally, the feasibility and effectiveness of the proposed method is demonstrated by computer simulation

Keywords: genetic, lasers, nozzle, programming

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4750 Transformative Measures in Chemical and Petrochemical Industry Through Agile Principles and Industry 4.0 Technologies

Authors: Bahman Ghorashi

Abstract:

The immense awareness of the global climate change has compelled traditional fossil fuel companies to develop strategies to reduce their carbon footprint and simultaneously consider the production of various sources of clean energy in order to mitigate the environmental impact of their operations. Similarly, supply chain issues, the scarcity of certain raw materials, energy costs as well as market needs, and changing consumer expectations have forced the traditional chemical industry to reexamine their time-honored modes of operation. This study examines how such transformative change might occur through the applications of agile principles as well as industry 4.0 technologies. Clearly, such a transformation is complex, costly, and requires a total commitment on the part of the top leadership and the entire management structure. Factors that need to be considered include organizational speed of change, a restructuring that would lend itself toward collaboration and the selling of solutions to customers’ problems, rather than just products, integrating ‘along’ as well as ‘across’ value chains, mastering change and uncertainty as well as a recognition of the importance of concept-to-cash time, i.e., the velocity of introducing new products to market, and the leveraging of people and information. At the same time, parallel to implementing such major shifts in the ethos, and the fabric of the organization, the change leaders should remain mindful of the companies’ DNA while incorporating the necessary DNA defying shifts. Furthermore, such strategic maneuvers should inevitably incorporate the managing of the upstream and downstream operations, harnessing future opportunities, preparing and training the workforce, implementing faster decision making and quick adaptation to change, managing accelerated response times, as well as forming autonomous and cross-functional teams. Moreover, the leaders should establish the balance between high-value solutions versus high-margin products, fully implement digitization of operations and, when appropriate, incorporate the latest relevant technologies, such as: AI, IIoT, ML, and immersive technologies. This study presents a summary of the agile principles and the relevant technologies and draws lessons from some of the best practices that are already implemented within the chemical industry in order to establish a roadmap to agility. Finally, the critical role of educational institutions in preparing the future workforce for Industry 4.0 is addressed.

Keywords: agile principles, immersive technologies, industry 4.0, workforce preparation

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4749 A Study of a Diachronic Relationship between Two Weak Inflection Classes in Norwegian, with Emphasis on Unexpected Productivity

Authors: Emilija Tribocka

Abstract:

This contribution presents parts of an ongoing study of a diachronic relationship between two weak verb classes in Norwegian, the a-class (cf. the paradigm of ‘throw’: kasta – kastar – kasta – kasta) and the e-class (cf. the paradigm of ‘buy’: kjøpa – kjøper – kjøpte – kjøpt). The study investigates inflection class shifts between the two classes with Old Norse, the ancestor of Modern Norwegian, as a starting point. Examination of inflection in 38 verbs in four chosen dialect areas (106 places of attestations) demonstrates that the shifts from the a-class to the e-class are widespread to varying degrees in three out of four investigated areas and are more common than the shifts in the opposite direction. The diachronic productivity of the e-class is unexpected for several reasons. There is general agreement that type frequency is an important factor influencing productivity. The a-class (53% of all weak verbs) was more type frequent in Old Norse than the e-class (42% of all weak verbs). Thus, given the type frequency, the expansion of the e-class is unexpected. Furthermore, in the ‘core’ areas of expanded e-class inflection, the shifts disregard phonological principles creating forms with uncomfortable consonant clusters, e.g., fiskte instead of fiska, the preterit of fiska ‘fish’. Later on, these forms may be contracted, i.e., fiskte > fiste. In this contribution, two factors influencing the shifts are presented: phonological form and token frequency. Verbs with the stem ending in a consonant cluster, particularly when the cluster ends in -t, hardly ever shift to the e-class. As a matter of fact, verbs with this structure belonging to the e-class in Old Norse shift to the a-class in Modern Norwegian, e.g., ON e-class verb skipta ‘change’ shifts to the a-class. This shift occurs as a result of the lack of morpho-phonological transparency between the stem and the preterit suffix of the e-class, -te. As there is a phonological fusion between the stem ending in -t and the suffix beginning in -t, the transparent a-class inflection is chosen. Token frequency plays an important role in the shifts, too, in some dialects. In one of the investigated areas, the most token frequent verbs of the ON e-class remain in the e-class (e.g., høyra ‘hear’, leva ‘live’, kjøpa ‘buy’), while less frequent verbs may shift to the a-class. Furthermore, the results indicate that the shift from the a-class to the e-class occurs in some of the most token frequent verbs of the ON a-class in this area, e.g., lika ‘like’, lova ‘promise’, svara ‘answer’. The latter is unexpected as frequent items tend to remain stable. This study presents a case of unexpected productivity, demonstrating that minor patterns can grow and outdo major patterns. Thus, type frequency is not the only factor that determines productivity. The study addresses the role of phonological form and token frequency in the spread of inflection patterns.

Keywords: inflection class, productivity, token frequency, phonological form

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4748 Comparative Study of Various Treatment Positioning Technique: A Site Specific Study-CA. Breast

Authors: Kamal Kaushik, Dandpani Epili, Ajay G. V., Ashutosh, S. Pradhaan

Abstract:

Introduction: Radiation therapy has come a long way over a period of decades, from 2-dimensional radiotherapy to intensity-modulated radiation therapy (IMRT) or VMAT. For advanced radiation therapy, we need better patient position reproducibility to deliver precise and quality treatment, which raises the need for better image guidance technologies for precise patient positioning. This study presents a two tattoo simulation with roll correction technique which is comparable to other advanced patient positioning techniques. Objective: This is a site-specific study is aimed to perform a comparison between various treatment positioning techniques used for the treatment of patients of Ca- Breast undergoing radiotherapy. In this study, we are comparing 5 different positioning methods used for the treatment of ca-breast, namely i) Vacloc with 3 tattoos, ii) Breast board with three tattoos, iii) Thermoplastic cast with three fiducials, iv) Breast board with a thermoplastic mask with 3 tattoo, v) Breast board with 2 tattoos – A roll correction method. Methods and material: All in one (AIO) solution immobilization was used in all patient positioning techniques for immobilization. The process of two tattoo simulations includes positioning of the patient with the help of a thoracic-abdomen wedge, armrest & knee rest. After proper patient positioning, we mark two tattoos on the treatment side of the patient. After positioning, place fiducials as per the clinical borders markers (1) sternum notch (lower border of clavicle head) (2) 2 cm below from contralateral breast (3) midline between 1 & 2 markers (4) mid axillary on the same axis of 3 markers (Marker 3 & 4 should be on the same axis). During plan implementation, a roll depth correction is applied as per the anterior and lateral positioning tattoos, followed by the shifts required for the Isocentre position. The shifts are then verified by SSD on the patient surface followed by radiographic verification using Cone Beam Computed Tomography (CBCT). Results: When all the five positioning techniques were compared all together, the produced shifts in Vertical, Longitudinal and lateral directions are as follows. The observations clearly suggest that the Longitudinal average shifts in two tattoo roll correction techniques are less than every other patient positioning technique. Vertical and lateral Shifts are also comparable to other modern positioning techniques. Concluded: The two tattoo simulation with roll correction technique provides us better patient setup with a technique that can be implemented easily in most of the radiotherapy centers across the developing nations where 3D verification techniques are not available along with delivery units as the shifts observed are quite minimal and are comparable to those with Vacloc and modern amenities.

Keywords: Ca. breast, breast board, roll correction technique, CBCT

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4747 EWMA and MEWMA Control Charts for Monitoring Mean and Variance in Industrial Processes

Authors: L. A. Toro, N. Prieto, J. J. Vargas

Abstract:

There are many control charts for monitoring mean and variance. Among these, the X y R, X y S, S2 Hotteling and Shewhart control charts, for mentioning some, are widely used for monitoring mean a variance in industrial processes. In particular, the Shewhart charts are based on the information about the process contained in the current observation only and ignore any information given by the entire sequence of points. Moreover, that the Shewhart chart is a control chart without memory. Consequently, Shewhart control charts are found to be less sensitive in detecting smaller shifts, particularly smaller than 1.5 times of the standard deviation. These kind of small shifts are important in many industrial applications. In this study and effective alternative to Shewhart control chart was implemented. In case of univariate process an Exponentially Moving Average (EWMA) control chart was developed and Multivariate Exponentially Moving Average (MEWMA) control chart in case of multivariate process. Both of these charts were based on memory and perform better that Shewhart chart while detecting smaller shifts. In these charts, information the past sample is cumulated up the current sample and then the decision about the process control is taken. The mentioned characteristic of EWMA and MEWMA charts, are of the paramount importance when it is necessary to control industrial process, because it is possible to correct or predict problems in the processes before they come to a dangerous limit.

Keywords: control charts, multivariate exponentially moving average (MEWMA), exponentially moving average (EWMA), industrial control process

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4746 An EWMA P-Chart Based on Improved Square Root Transformation

Authors: Saowanit Sukparungsee

Abstract:

Generally, the traditional Shewhart p chart has been developed by for charting the binomial data. This chart has been developed using the normal approximation with condition as low defect level and the small to moderate sample size. In real applications, however, are away from these assumptions due to skewness in the exact distribution. In this paper, a modified Exponentially Weighted Moving Average (EWMA) control chat for detecting a change in binomial data by improving square root transformations, namely ISRT p EWMA control chart. The numerical results show that ISRT p EWMA chart is superior to ISRT p chart for small to moderate shifts, otherwise, the latter is better for large shifts.

Keywords: number of defects, exponentially weighted moving average, average run length, square root transformations

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4745 Ionic Liquid and Chemical Denaturants Effects on the Fluorescence Properties of the Laccase

Authors: Othman Saoudi

Abstract:

In this work, we have interested in the investigation of the chemical denaturants and synthesized ionic liquids effects on the fluorescence properties of the laccase from Trametes versicolor. The fluorescence properties of the laccase result from the presence of Tryptophan, which has an aromatic core responsible for the absorption in ultra violet domain and the emission of the photons of fluorescence. The effect Pyrrolidinuim Formate ([pyrr][F]) and Morpholinium Formate ([morph][F]) ionic liquids on the laccase behavior for various volumetric fractions are studied. We have shown that the fluorescence spectrum relative to the [pyrr][F] presents a single band with a maximum around 340 nm and a secondary peak at 361 nm for a volumetric fraction of 20% v/v. For concentration superiors to 40%, the fluorescence intensity decreases and a displacement of the peaks toward higher wavelengths has occurred. For the [morph][F], the fluorescence spectrum showed a single band around 340 nm. The intensity of the principal peak decreases for concentration superiors to 20% v/v. From the plot representing the variation of the λₘₐₓ versus the volumetric concentration, we have determined the concentration of the half-transitions C1/2. These concentrations are equal to 42.62% and 40.91% v/v in the presence of [pyrr][F] and [morph][F] respectively. For the chemical denaturation, we have shown that the fluorescence intensity decreases with increasing denaturant concentrations where the maximum of the wavelength of emission shifts toward the higher wavelengths. We have also determined from the spectrum relative to the urea and GdmCl, the unfolding energy, ∆GD. The results show that the variation of the unfolding energy as a function of the denaturant concentrations varies according to the linear regression model. We have demonstrated also that the half-transitions C1/2 have occurred for urea and GdmCl denaturants concentrations around 3.06 and 3.17 M respectively.

Keywords: laccase, fluorescence, ionic liquids, chemical denaturants

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4744 Assessing Climate-Induced Species Range Shifts and Their Impacts on the Protected Seascape on Canada’s East Coast Using Species Distribution Models and Future Projections

Authors: Amy L. Irvine, Gabriel Reygondeau, Derek P. Tittensor

Abstract:

Marine protected areas (MPAs) within Canada’s exclusive economic zone help ensure the conservation and sustainability of marine ecosystems and the continued provision of ecosystem services to society (e.g., food, carbon sequestration). With ongoing and accelerating climate change, however, MPAs may become undermined in terms of their effectiveness at fulfilling these outcomes. Many populations of species, especially those at their thermal range limits, may shift to cooler waters or become extirpated due to climate change, resulting in new species compositions and ecological interactions within static MPA boundaries. While Canadian MPA management follows international guidelines for marine conservation, no consistent approach exists for adapting MPA networks to climate change and the resulting altered ecosystem conditions. To fill this gap, projected climate-driven shifts in species distributions on Canada’s east coast were analyzed to identify when native species emigrate and novel species immigrate within the network and how high mitigation and carbon emission scenarios influence these timelines. Indicators of the ecological changes caused by these species' shifts in the biological community were also developed. Overall, our research provides projections of climate change impacts and helps to guide adaptive management responses within the Canadian east coast MPA network.

Keywords: climate change, ecosystem modeling, marine protected areas, management

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4743 A Supramolecular Cocrystal of 2-Amino-4-Chloro-6-Methylpyrimidine with 4-Methylbenzoic Acid: Synthesis, Structural Determinations and Quantum Chemical Investigations

Authors: Nuridayanti Che Khalib, Kaliyaperumal Thanigaimani, Suhana Arshad, Ibrahim Abdul Razak

Abstract:

The 1:1 co-crystal of 2-amino-4-chloro-6-methylpyrimidine (2A4C6MP) with 4-methylbenzoic acid (4MBA) (I) has been prepared by slow evaporation method in methanol, which was crystallized in monoclinic C2/c space group, Z = 8, a = 28.431 (2) Å, b = 7.3098 (5) Å, c = 14.2622 (10) Å, and β = 109.618 (3)°. The presence of unionized –COOH functional group in co-crystal I was identified both by spectral methods (1H and 13C NMR, FTIR) and X-ray diffraction structural analysis. The 2A4C6MP molecule interact with the carboxylic group of the respective 4MBA molecule through N—H⋯O and O—H⋯N hydrogen bonds, forming a cyclic hydrogen –bonded motif R22(8). The crystal structure was stabilized by Npyrimidine-H⋯O=C and C=O-H⋯Npyrimidine types hydrogen bonding interactions. Theoretical investigations have been computed by HF and density function (B3LYP) method with 6-311+G(d,p) basis set. The vibrational frequencies together with 1H and 13C NMR chemical shifts have been calculated on the fully optimized geometry of co-crystal I. Theoretical calculations are in good agreement with the experimental results. Solvent-free formation of this co-crystal I is confirmed by powder X-ray diffraction analysis.

Keywords: supramolecular co-crystal, 2-amino-4-chloro-6-methylpyrimidine, Harthree-Fock and DFT studies, spectroscopic analysis

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4742 An Exhaustive All-Subsets Examination of Trade Theory on WTO Data

Authors: Masoud Charkhabi

Abstract:

We examine trade theory with this motivation. The full set of World Trade Organization data are organized into country-year pairs, each treated as a different entity. Topological Data Analysis reveals that among the 16 region and 240 region-year pairs there exists in fact a distinguishable group of region-period pairs. The generally accepted periods of shifts from dissimilar-dissimilar to similar-similar trade in goods among regions are examined from this new perspective. The period breaks are treated as cumulative and are flexible. This type of all-subsets analysis is motivated from computer science and is made possible with Lossy Compression and Graph Theory. The results question many patterns in similar-similar to dissimilar-dissimilar trade. They also show indications of economic shifts that only later become evident in other economic metrics.

Keywords: econometrics, globalization, network science, topological data, analysis, trade theory, visualization, world trade

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4741 Bioactive Chemical Markers Based Strategy for Quality Control of Herbal Medicines

Authors: Zhenzhong Yang

Abstract:

Herbal medicines are important supplements to chemical drugs and usually consist of a complex mixture of constituents. The current quality control strategy of herbal medicines is mainly based on chemical markers, which largely failed to owe to the markers, not reflecting the herbal medicines’ multiple mechanisms of action. Herein, a bioactive chemical markers based strategy was proposed and applied to the quality assessment and control of herbal medicines. This strategy mainly includes the comprehensive chemical characterization of herbal medicines, bioactive chemical markers identification, and related quantitative analysis methods development. As a proof-of-concept, this strategy was applied to a Panax notoginseng derived herbal medicine. The bioactive chemical markers based strategy offers a rational approach for quality assessment and control of herbal medicines.

Keywords: bioactive chemical markers, herbal medicines, quality assessment, quality control

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4740 Free Raducal Scavenging Activity of Fractionated Extract and Structural Elucidation of Isolated Compounds from Hydrocotyl Bonariensis Comm. Ex Lam Leaves

Authors: Emmanuel O Ajani, Sabiu S, Mariam Zakari, Fisayo A Bamisaye

Abstract:

Hydrocotyl bonariensis is a plant which anticataractogenic potentials have been reported. In the present study an attempt was made to evaluate the in vitro antioxidant activity of the fractionates of the leaves extract and also characterize some of its chemical constituents. DPPH, H₂O₂, OH and NO free radical scavenging, metal chelating and reducing power activity was used to evaluate the antioxidant activity of the crude extract fractionates. Fresh leaves of Hydrocotyl bonariensis leaves were extracted in 70% methanol. The extract was partitioned with different solvent system of increasing polarity (n-hexane, chloroform, ethyl acetate methanol and water). Compounds were isolated from the aqueous practitionate using accelerated gradient chromatography, vacuum liquid chromatography, preparative TLC and conventional column chromatography. The presence of the chemical groups was established with HPLC and Fourier Transform Infra Red. The structures of isolated compounds were elucidated by spectroscopic study and chemical shifts. Data from the study indicates that all the fractionates contain compounds with free radical scavenging activity. This activity was more pronounced in the aqueous fractionate (DPPH IC₅₀, 0025 ± 0.011 mg/ml, metal chelating capacity 27.5%, OH- scavenging IC₅₀, 0.846 ± 0.037 mg/ml, H₂O₂ scavenging IC₅₀ 0.521 ± 0.015 mg/ml, reducing power IC₅₀ 0.248 ± 0.025 mg/ml and NO scavenging IC₅₀ 0.537 ± 0.038 mg/ml). Two compounds were isolated and when compared with data from the literature; the structures were suggestive of polyphenolic flavonoid, quercetin and 3-O-β-D-glucopyranosyl-sitosterol. The result indicates that H. bonariensis leaves contain bioactive compounds with antioxidant activity.

Keywords: antioxidant, cataract, free radical, flavonoids, hydrocotyl bonariensis

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4739 Comparison of Chemical Coagulation and Electrocoagulation for Boron Removal from Synthetic Wastewater Using Aluminium

Authors: Kartikaningsih Danis, Yao-Hui Huang

Abstract:

Various techniques including conventional and advanced have been employed for the boron treatment from water and wastewater. The electrocoagulation involves an electrolytic reactor for coagulation/flotation with aluminium as anode and cathode. There is aluminium as coagulant to be used for removal which may induce secondary pollution in chemical coagulation. The purpose of this study is to investigate and compare the performance between electrocoagulation and chemical coagulation on boron removal from synthetic wastewater. The effect of different parameters, such as pH reaction, coagulant dosage, and initial boron concentration were examined. The results show that the boron removal using chemical coagulation was lower. At the optimum condition (e.g. pH 8 and 0.8 mol coagulant dosage), boron removal efficiencies for chemical coagulation and electrocoagulation were 61% and 91%, respectively. In addition, the electrocoagulation needs no chemical reagents and makes the boron treatment easy for application.

Keywords: boron removal, chemical coagulation, aluminum, electro-coagulation

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4738 Using Internal Marketing to Investigate Nursing Staff Job Satisfaction and Turnover Intention

Authors: Tsung Chin Wu, Yu Chen Tsai, Rhay Hung Weng, Weir Sen Lin

Abstract:

In recent years, nursing staff’s lower job satisfaction has led to higher turnover rates, and high turnover rates not only cause medical institution costs to increase but also the quality of medical care to decrease. From the perspective of internal marketing, institution staffs are internal customers, and institutions should focus and meet the needs of staff, so that staff will strive to meet the needs of external customers and provide them with the required care. However, few previous studies have investigated the impact of internal staff satisfaction on external customers. Therefore, this study aimed to conduct job satisfaction surveys on internal staff to investigate the relationship between job satisfaction and quality of medical care through statistical analysis of the study results. The related study results may serve as a reference for healthcare managers. This study was conducted using a questionnaire and the subjects were nursing staff from four hospitals. A total of 600 questionnaires were distributed and 577 valid questionnaires were returned with a response rate of 96.1%. After collecting the data, the reliability and validity of the study variables were confirmed by confirmatory factor analysis. The impact of internal marketing and job satisfaction on turnover intention of nursing staff was analyzed using descriptive analysis, one-way ANOVA, Pearson correlation analysis and multiple regression analysis. The study results showed that there was a significant difference between nursing staff’s job title and ‘professional participation’ and ‘shifts’. There was a significant difference between salary and ‘shifts’ and ‘turnover intention’, as well as between marriage and ‘remuneration’ and ‘turnover intention’. A significant difference was found between professional advancement and ‘professional growth’ and ‘type of leave’, as well as between division of service and ‘shifts’ and ‘turnover intention’. Pearson correlation analysis revealed a significant negative correlation between turnover intention and ‘internal marketing’, ‘interaction’, ‘professional participation’, ‘grasp of environment’, ‘remuneration’ and ‘shifts’, meaning that the higher the satisfaction, the lower the turnover intention. It is recommended that hospitals establish a comprehensive internal marketing mechanism to enhance staff satisfaction and in turn, reduce intention to resign, and the key to increasing job satisfaction is by establishing effective methods of internal communication.

Keywords: internal marketing, job satisfaction, turnover intention, nursing staff

Procedia PDF Downloads 156
4737 Shaking the Iceberg: Metaphoric Shifting and Loss in the German Translations of 'The Sun Also Rises'

Authors: Christopher Dick

Abstract:

While the translation of 'literal language' poses numerous challenges for the translator, the translation of 'figurative language' creates even more complicated issues. It has been only in the last several decades that scholars have attempted to propose theories of figurative language translation, including metaphor translation. Even less work has applied these theories to metaphoric translation in literary texts. And almost no work has linked an analysis of metaphors in translation with the recent scholarship on conceptual metaphors. A study of literature in translation must not only examine the inevitable shifts that occur as specific metaphors move from source language to target language but also analyze the ways in which these shifts impact conceptual metaphors and, ultimately, the text as a whole. Doing so contributes to on-going efforts to bridge the sometimes wide gulf between considerations of content and form in literary studies. This paper attempts to add to the body of scholarly literature on metaphor translation and the function of metaphor in a literary text. Specifically, the study examines the metaphoric expressions in Hemingway’s The Sun Also Rises. First, the issue of Hemingway and metaphor is addressed. Next, the study examines the specific metaphors in the original novel in English and the German translations, first in Annemarie Horschitz’s 1928 German version and then in the recent Werner Schmitz 2013 translation. Hemingway’s metaphors, far from being random occurrences of figurative language, are linguistic manifestations of deeper conceptual metaphors that are central to an interpretation of the text. By examining the modifications that are made to these original metaphoric expressions as they are translated into German, one can begin to appreciate the shifts involved with metaphor translation. The translation of Hemingway’s metaphors into German represents significant metaphoric loss and shifting that subsequently shakes the important conceptual metaphors in the novel.

Keywords: Hemingway, Conceptual Metaphor, Translation, Stylistics

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4736 Modeling Aggregation of Insoluble Phase in Reactors

Authors: A. Brener, B. Ismailov, G. Berdalieva

Abstract:

In the paper we submit the modification of kinetic Smoluchowski equation for binary aggregation applying to systems with chemical reactions of first and second orders in which the main product is insoluble. The goal of this work is to create theoretical foundation and engineering procedures for calculating the chemical apparatuses in the conditions of joint course of chemical reactions and processes of aggregation of insoluble dispersed phases which are formed in working zones of the reactor.

Keywords: binary aggregation, clusters, chemical reactions, insoluble phases

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4735 Shift Work and Its Consequences

Authors: Parastoo Vasli

Abstract:

In today's society, more and more people work during ‘non-standard’ working hours, including shift and night work, which are perceived danger factors for health, safety, and social prosperity. Appropriate preventive and protective measures are needed to reduce side effects and ensure that the worker can adapt sufficiently. Of the many health effects associated with shift work, sleep disorders are the most widely recognized. The most troubling acute symptoms are difficulty falling asleep, short sleep, and drowsiness during working hours that last for days on end. The outcomes checked on plainly exhibit that shift work is related to expanded mental, social, and physiological drowsiness. Apparently, the effects are due to circadian and hemostatic compounds (sleep loss). Drowsiness is especially evident during night shifts and may lead to drowsiness in real workplace accidents. In some occupations, this is clearly a risk that could endanger human lives and has enormous financial outcomes. These dangers clearly affect a large number of people and should be of great importance to society. In particular, safety on night shifts is consistently reduced.

Keywords: shift work, night work, safety, health, drowsiness

Procedia PDF Downloads 187
4734 Damage in Cementitious Materials Exposed to Sodium Chloride Solution and Thermal Cycling: The Effect of Using Supplementary Cementitious Materials

Authors: Fadi Althoey, Yaghoob Farnam

Abstract:

Sodium chloride (NaCl) can interact with the tricalcium aluminate (C3A) and its hydrates in concrete matrix. This interaction can result in formation of a harmful chemical phase as the temperature changes. It is thought that this chemical phase is embroiled in the premature concrete deterioration in the cold regions. This work examines the potential formation of the harmful chemical phase in various pastes prepared by using different types of ordinary portland cement (OPC) and supplementary cementitious materials (SCMs). The quantification of the chemical phase was done by using a low temperature differential scanning calorimetry. The results showed that the chemical phase formation can be reduced by using Type V cement (low content of C3A). The use of SCMs showed different behaviors on the formation of the chemical phase. Slag and Class F fly ash can reduce the chemical phase by the dilution of cement whereas silica fume can reduce the amount of the chemical phase by dilution and pozzolanic activates. Interestingly, the use of Class C fly ash has a negative effect on concrete exposed to NaCl through increasing the formation of the chemical phase.

Keywords: concrete, damage, chemcial phase, NaCl, SCMs

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4733 Exploring Salient Shifts and Transdiagnostic Factors in Eating Disordered Women

Authors: Francesca Favero, Despina Learmonth

Abstract:

Carbohydrate addiction is said to be the sustained dependence on hyperpalatable foods rich in carbohydrates and sugar. This addiction manifests in increased consumption of carbohydrates through binging: a behaviour typically associated with eating disorders. There is a lack of consensus amongst relevant experts as to whether carbohydrates are physiologically or psychologically addictive. With an increased focus on carbohydrate addiction, an outpatient treatment programme, HELP, has been established in Cape Town, South Africa, to specifically address this issue. This research aimed to explore, pre-and post-intervention, the possible presence of, and subsequent shifts in, the maintaining mechanisms identified in the transdiagnostic model for eating disorders. However, the potential for the emergence of other perpetuating factors was not discounted and the nature of the analysis allowed for this possibility. Eight women between the ages of twenty-two and fifty, who had completed the outpatient treatment programme in the last six months, were interviewed. They were asked to speak retrospectively about their personal difficulties, eating and food, and their experience of the treatment. Thematic analysis was employed to identify themes arising from the data. Five themes congruent with the transdiagnostic model’s factors emerged: over-evaluation of weight and shape, core low self-esteem, interpersonal difficulties, clinical perfectionism and mood intolerance. A variety of sub-themes, elaborating upon the various ways in which the disordered eating was maintained, also emerged from the data. Shifts in these maintaining mechanisms were identified. Although not necessarily indicative of recovery, the results suggest that the outpatient HELP programme had a positive overall influence on the participants; and that the transdiagnostic model may be useful in understanding and guiding the treatment of clients who engage in this type of treatment programme.

Keywords: eating disorders, binge eating disorder, carbohydrate addiction, transdiagnostic model, maintaining mechanisms, thematic analysis, outpatient treatment

Procedia PDF Downloads 287
4732 Computational Chemical-Composition of Carbohydrates in the Context of Healthcare Informatics

Authors: S. Chandrasekaran, S. Nandita, M. Shivathmika, Srikrishnan Shivakumar

Abstract:

The objective of the research work is to analyze the computational chemical-composition of carbohydrates in the context of healthcare informatics. The computation involves the representation of complex chemical molecular structure of carbohydrate using graph theory and in a deployable Chemical Markup Language (CML). The parallel molecular structure of the chemical molecules with or without other adulterants for the sake of business profit can be analyzed in terms of robustness and derivatization measures. The rural healthcare program should create awareness in malnutrition to reduce ill-effect of decomposition and help the consumers to know the level of such energy storage mixtures in a quantitative way. The earlier works were based on the empirical and wet data which can vary from time to time but cannot be made to reuse the results of mining. The work is carried out on the quantitative computational chemistry on carbohydrates to provide a safe and secure right to food act and its regulations.

Keywords: carbohydrates, chemical-composition, chemical markup, robustness, food safety

Procedia PDF Downloads 352
4731 Analysis of Influence of Intrinsic Motivation on Employee Affective Commitment

Authors: Yashar Ibragimov, Nino Berishvili

Abstract:

Technological, economic and other innovation-related advances of the 21st century have influenced the old, traditional business models. Presently, organizational change has become an integral part of corporate strategy for the majority of businesses. Such shifts have resulted in both new challenges and opportunities. The expansion of the use of information and communication technologies has driven fundamental shifts towards digital change. Organizations are being forced to revise processes, goals and overall mission in order to stay competitive in the marketplace. However, the implementation of digital transformation brings uncertainty, causes stress and raises concerns about future jobs. The study employs systematic literature review to fill the gap in understanding relationship between employee motivation and commitment during the transformation. A conceptual model proposes the antecedents (OCB and Leader Member Exchange) of employee motivation and investigates its impact on employee commitment to change. The utilized model elucidates how to maintain employee motivation and commitment in the context of organizational transformation and sets the ground for future research.

Keywords: employee motivation, change commitment, change management, leader member exchange, organizational citizenship behavior

Procedia PDF Downloads 38
4730 Comparison of Meshing Stiffness of Altered Tooth Sum Spur Gear Tooth with Different Pressure Angles

Authors: H. K. Sachidananda, K. Raghunandana, B. Shivamurthy

Abstract:

The estimation of gear tooth stiffness is important for finding the load distribution between the gear teeth when two consecutive sets of teeth are in contact. Based on dynamic model a C-program has been developed to compute mesh stiffness. By using this program position dependent mesh stiffness of spur gear tooth for various profile shifts have been computed for a fixed center distance and altering tooth-sum gearing (100 by ± 4%). It is found that the C-program using dynamic model is one of the rapid soft computing technique which helps in design of gears. The mesh tooth stiffness along the path of contact is studied for both 20° and 25° pressure angle gears at various profile shifts. Better tooth stiffness is noticed in case of negative alteration tooth-sum gears compared to standard and positive alteration tooth-sum gears. Also, in case of negative alteration tooth-sum gearing better mesh stiffness is noticed in 20° pressure angle when compared to 25°.

Keywords: altered tooth-sum gearing, bending fatigue, mesh stiffness, spur gear

Procedia PDF Downloads 293