Prediction of Binding Free Energies for Dyes Removal Using Computational Chemistry

Dye removal is an environmental concern because the textile industries have been increasing by world population and industrialization. Adsorption is the technique to find adsorbents to remove dyes from wastewater. This method is low-cost and effective for dye removal. This work tries to develop effective adsorbents using the computational approach because it will be able to predict the possibility of the adsorbents for specific dyes in terms of binding free energies. The computational approach is faster and cheaper than the experimental approach in case of finding the best adsorbents. All starting structures of dyes and adsorbents are optimized by quantum calculation. The complexes between dyes and adsorbents are generated by the docking method. The obtained binding free energies from docking are compared to binding free energies from the experimental data. The calculated energies can be ranked as same as the experimental results. In addition, this work also shows the possible orientation of the complexes. This work used two experimental groups of the complexes of the dyes and adsorbents. In the first group, there are chitosan (adsorbent) and two dyes (reactive red (RR) and direct sun yellow (DY)). In the second group, there are poly(1,2-epoxy-3-phenoxy) propane (PEPP), which is the adsorbent, and 2 dyes of bromocresol green (BCG) and alizarin yellow (AY).

On-Line Impulse Buying and Cognitive Dissonance: The Moderating Role of the Positive Affective State

The purchase impulsiveness is preceded by a lack of self-control: consequently, it is legitimate to believe that a consumer with a low level of self-control can result in a higher probability of cognitive dissonance. Moreover, the process of purchase is influenced by the pre-existing affective state in a considerable way. With reference to on-line purchases, digital behavior cannot be merely ascribed to the rational sphere, given the speed and ease of transactions and the hedonistic dimension of purchases. To our knowledge, this research is among the first cases of verification of the effect of moderation exerted by the positive affective state in the on-line impulse purchase of products with a high expressive value such as a smartphone on the occurrence of cognitive dissonance. To this aim, a moderation analysis was conducted on a sample of 212 impulsive millennials buyers. Three scales were adopted to measure the constructs of interest: IBTS for impulsivity, PANAS for the affective state, Sweeney for cognitive dissonance. The analysis revealed that positive affective state does not affect the onset of cognitive dissonance.

The Application of Distributed Optical Strain Sensing to Measure Rock Bolt Deformation Subject to Bedding Shear

Shear displacement along bedding defects is a well-recognised behaviour when tunnelling and mining in stratified rock. This deformation can affect the durability and integrity of installed rock bolts. In-situ monitoring of rock bolt deformation under bedding shear cannot be accurately derived from traditional strain gauge bolts as sensors are too large and spaced too far apart to accurately assess concentrated displacement along discrete defects. A possible solution to this is the use of fiber optic technologies developed for precision monitoring. Distributed Optic Sensor (DOS) embedded rock bolts were installed in a tunnel project with the aim of measuring the bolt deformation profile under significant shear displacements. This technology successfully measured the 3D strain distribution along the bolts when subjected to bedding shear and resolved the axial and lateral strain constituents in order to determine the deformational geometry of the bolts. The results are compared well with the current visual method for monitoring shear displacement using borescope holes, considering this method as suitable.

Determination of Post-Failure Characteristic Behaviour of Rocks under Conventional Method Based on the Mechanism of Rock Deformation Process

This work is intended to study the post-failure characteristic behaviour of rocks and the techniques of controlling the post-failure regime based on the mechanism of rocks deformation process. It is impossible to determine the post-failure regime of rocks using conventional laboratory testing equipment. This is because most testing machines are soft and therefore no information can be obtained after the peak load. Stress-strain deformation tests were conducted using both conventional and unconventional method (i.e. the closed loop servo-controlled testing machine) in accordance to ISRM standard. Normalised pre-failure curves were constructed to show the stages in the deformation process. The first type contains the Class I and progress to Class II with low strength soft brittle rocks. The second type shows entirely Class II characteristic behaviour. The third type is extremely brittle under axial loading, resulted in explosive failure, so its class could not be determined. The difficulty in obtaining the post-failure curves increases as the total volumetric strain approaches a positive value. The author’s use of normalised pre-failure curves enables identification of additional type of deformation process with very brittle response under axial loading. Testing the third type without confinement could cause equipment damage. Identification of the deformation process with the rock classes using conventional test could guide the personnel conducting tests using closed-loop servo-controlled system, to avoid equipment damage when testing rocks with third type deformation process so that testing is performed safely. It has also improved our understanding on total specimen failure and brittleness of rocks (e.g. brittle for Class II and less brittle or ductile for Class I).

Assessment of Using Wastage Steel as Welded Reinforcement

This work is carried out to evaluate the possibility of using to-be-wasted steel as reinforcement after welding together pieces of reinforcing steel bars, left over during construction activities. Tests were performed on a total of nine samples. These were made by welding pieces of reinforcing steel bars purchased from the local scrap steel market. The samples were tested in uniaxial tension using a universal testing machine (UTM). It was found that the failure of the welded bars is governed by the thickness of the weld. It is concluded that suitable design of the weld is essential for achieving the desired level of ductility/elongation of these bars, if they are to be used as conventional reinforcement in reinforced concrete members.

The Magnetic Susceptibility of the Late Quaternary Loess in North-East of Iran and Its Correlation with Other Palaeoclimatical Parameters

Magnetic susceptibility (χ) is operational to identify of late quaternary glacial-interglacial cycles in loess-paleosol sequences. It is well accepted that many loess-paleosol sequences bear witness to cold-dry/warm-humid periods, well known as glacial-interglacial cycles, respectively. For this study, loess-paleosol sequence of north-east of Iran was magnetically investigated. The study area is situated at about 8 km away of Neka city, on the main road of Sari-Behshahr, in Mazandaran Province, north of Iran. The youngest deposits of study area are the late Quaternary wind-blown accumulations. In this study, the total number of 117 samples was collected from loess-paleosols units. After that, the natural remnant magnetization (NRM) and magnetic susceptibility (MS) of the samples were measured. Variation of MS of more than 110 loess samples was plotted to reveal the correlation of the MS and paleoclimatic changes. This study aims reconstruction of climatic changes (glacial-interglacial and stadials-interstadials cycles). To confirm our results we compared MS (χ) and the curves of other investigations in paleoclimatology. This correspondence abled us to recognize worldly events in the study area such as: Younger Dryas, the Last Glacial Maximum (LGM), deglaciation of Northern Hemisphere etc. The obtained magnetic data indicate that during almost 50 ka, at least two glacial-interglacial periods occurred in north-east of Iran. Further, variation of χ values revealed short period of climatically cycles known as stadials-interstadials. We recognized 4 stadials and a single stadial as colder sub-periods for S0 (recently soil-paleosol) and S2 (lower paleosol), respectively, Moreover, we recognized 6 warmer sub-periods (interstadials) for L1 (upper loess) and one interstadial L2 (lower loess).

Investigation of Learning Challenges in Building Measurement Unit

The objective of this research is to identify the architecture and construction management students’ learning challenges of the building measurement. This research used the survey data obtained collected from the students who completed the building measurement unit. NVivo qualitative data analysis software was used to identify relevant themes. The analysis of the qualitative data revealed the major learning difficulties such as inadequacy of practice questions for the examination, inability to work as a team, lack of detailed understanding of the prerequisite units, insufficiency of the time allocated for tutorials and incompatibility of lecture and tutorial schedules. The output of this research can be used as a basis for improving the teaching and learning activities in construction measurement units.

Impact of Management and Development of Destination Attributes on Coastal Tourists' Visitor Experience, Negombo, Sri Lanka

The purpose of this quantitative study is to identify the impact of the destination attributes of Negombo on the coastal tourists’ visitor experience. As an island nation, Sri Lanka is identified and well renowned for its gold sandy beaches and natural scenic beauty. Among many tourist attractions, Negombo is identified as a developed beach centric tourist destination in the country. Yet, it is identified that there are low positive reviews on the internet for Negombo compared to other beach centric tourist attractions in Sri Lanka. Therefore, this study would help the policymakers and tourism service providers to identify the impact of destination attributes on international visitor satisfaction and to understand the visitors comprehensively so as to develop Negombo as a stable tourist destination while offering a memorable and satisfying experience for its visitors. In support, a self-administered questionnaire survey study was performed with 150 respondents (international tourists) in Negombo. The questions were designed based on the selected dimensions of destination attributes such as tourism service quality, infrastructure and superstructure developments, tourist information facilities and destination aesthetics and developments. The results showed that the overall satisfaction level of the international tourists who visit Sri Lanka is significantly affected by the destination attributes of Negombo. Yet, the dimensions of destination aesthetics and developments and tourist information facilities indicated a low level of mean satisfaction, paving the critique that Negombo as a beach centric tourist attraction is not serving well with its natural beauty and its destination management. Further, it is advocated that the policymakers and tourism service providers have a significant role in leading the way to attract more potential visitors to enhance their destination satisfaction and to encourage them to revisit Sri Lanka while recommending it to others. The survey was done during the off-peak season of the industry and it is suggested that the survey would have been conducted throughout a complete year.

The Conduct of Laundering Money through Transport of Cash in the Middle East and North Africa Region

This article mainly aims to detect and understand how money laundering activities are executed by transport of cash, identifying the underlying factors and separating legitimate from illegitimate usage of cash and how it is being used. This research provides academics with additional literature and provides bank supervisors and practitioners with a better understanding of sources and uses of cash in criminal activities and how cash is used in the laundering mechanism. Data are gathered through survey in the Middle East and North Africa region and review of the available research. The results of the analysis will help distinguish the factors affecting preference for cash rather other payment instruments in the region, identify what causes the tendency to launder illegal proceeds through cash transportation and how illegal cash is being laundered and moved. On the other hand, this paper sheds the light on major cash generating criminal activities, its sources and main destinations.

Spreading Japan's National Image through China during the Era of Mass Tourism: The Japan National Tourism Organization’s Use of Sina Weibo

Since China has entered an era of mass tourism, there has been a fundamental change in the way Chinese people approach and perceive the image of other countries. With the advent of the new media era, social networking sites such as Sina Weibo have become a tool for many foreign governmental organizations to spread and promote their national image. Among them, the Japan National Tourism Organization (JNTO) was one of the first foreign official tourism agencies to register with Sina Weibo and actively implement communication activities. Due to historical and political reasons, cognition of Japan's national image by the Chinese has always been complicated and contradictory. However, since 2015, China has become the largest source of tourists visiting Japan. This clearly indicates that the broadening of Japan's national image in China has been effective and has value worthy of reference in promoting a positive Chinese perception of Japan and encouraging Japanese tourism. Within this context and using the method of content analysis in media studies through content mining software, this study analyzed how JNTO’s Sina Weibo accounts have constructed and spread Japan's national image. This study also summarized the characteristics of its content and form, and finally revealed the strategy of JNTO in building its international image. The findings of this study not only add a tourism-based perspective to traditional national image communications research, but also provide some reference for the effective international dissemination of national image in the future.

Design of Wireless and Traceable Sensors for Internally Illuminated Photoreactors

We present methods for developing wireless and traceable sensors for photobioreactors or photoreactors in general. The main focus of application are reactors which are wirelessly powered. Due to the promising properties of the propagation of magnetic fields under water we implemented an inductive link with an on/off switched hartley-oscillator as transmitter and an LC-tank as receiver. For this inductive link we used a carrier frequency of 298 kHz. With this system we performed measurements to demonstrate the independence of the magnetic field from water or salty water. In contrast we showed the strongly reduced range of RF-transmitter-receiver systems at higher frequencies (433 MHz and 2.4 GHz) in water and in salty water. For implementing the traceability of the sensors, we performed measurements to show the well defined orientation of the magnetic field of a coil. This information will be used in future work for implementing an inductive link based traceability system for our sensors.

Training Undergraduate Engineering Students in Robotics and Automation through Model-Based Design Training: A Case Study at Assumption University of Thailand

Problem-based learning (PBL) is a student-centered pedagogy that originated in the medical field and has also been used extensively in other knowledge disciplines with recognized advantages and limitations. PBL has been used in various undergraduate engineering programs with mixed outcomes. The current fourth industrial revolution (digital era or Industry 4.0) has made it essential for many science and engineering students to receive effective training in advanced courses such as industrial automation and robotics. This paper presents a case study at Assumption University of Thailand, where a PBL-like approach was used to teach some aspects of automation and robotics to selected groups of undergraduate engineering students. These students were given some basic level training in automation prior to participating in a subsequent training session in order to solve technical problems with increased complexity. The participating students’ evaluation of the training sessions in terms of learning effectiveness, skills enhancement, and incremental knowledge following the problem-solving session was captured through a follow-up survey consisting of 14 questions and a 5-point scoring system. From the most recent training event, an overall 70% of the respondents indicated that their skill levels were enhanced to a much greater level than they had had before the training, whereas 60.4% of the respondents from the same event indicated that their incremental knowledge following the session was much greater than what they had prior to the training. The instructor-facilitator involved in the training events suggested that this method of learning was more suitable for senior/advanced level students than those at the freshmen level as certain skills to effectively participate in such problem-solving sessions are acquired over a period of time, and not instantly.

Evaluating the Understanding of the University Students (Basic Sciences and Engineering) about the Numerical Representation of the Average Rate of Change

The present study aimed to evaluate the understanding of the students in Tehran universities (Iran) about the numerical representation of the average rate of change based on the Structure of Observed Learning Outcomes (SOLO). In the present descriptive-survey research, the statistical population included undergraduate students (basic sciences and engineering) in the universities of Tehran. The samples were 604 students selected by random multi-stage clustering. The measurement tool was a task whose face and content validity was confirmed by math and mathematics education professors. Using Cronbach's Alpha criterion, the reliability coefficient of the task was obtained 0.95, which verified its reliability. The collected data were analyzed by descriptive statistics and inferential statistics (chi-squared and independent t-tests) under SPSS-24 software. According to the SOLO model in the prestructural, unistructural, and multistructural levels, basic science students had a higher percentage of understanding than that of engineering students, although the outcome was inverse at the relational level. However, there was no significant difference in the average understanding of both groups. The results indicated that students failed to have a proper understanding of the numerical representation of the average rate of change, in addition to missconceptions when using physics formulas in solving the problem. In addition, multiple solutions were derived along with their dominant methods during the qualitative analysis. The current research proposed to focus on the context problems with approximate calculations and numerical representation, using software and connection common relations between math and physics in the teaching process of teachers and professors.

Garden Culture in Islamic Civilization: A Glance at the Birth, Development and Current Situation

With the birth of Islam, the definitions of paradise in Quran have spread across three continents since 7th century, showing itself in the palace gardens as a reflection of Islamic Culture. The design characteristics of Islamic gardens come forth with the influence of religious beliefs, as well as taking its form as per the cultural, climatic and soil characteristics of its geography, and showing its difference. It is possible to see these differences from the garden examples that survived to present time from the civilizations in the lands of Islamic proliferation. The main material of this research is the Islamic gardens in Iran and Spain. Field study was carried out in Alhambra Palace in Spain, Granada and Shah Goli garden in Iran, Tabriz. In this study, the birth of Islamic gardens, spatial perception of paradise, design principles, spatial structure, along with the structural/plantation materials used are examined. Also the characteristics and differentiation of the gardens examined in different cultures and geographies have been revealed. In the conclusion section, Iran and Spain Islamic garden samples were evaluated and their properties were determined.

Numerical Study of Fiber Bragg Grating Sensor: Longitudinal and Transverse Detection of Temperature and Strain

Fiber Bragg Grating (FBG) structure is an periodically modulated optical fiber. It acts as a selective filter of wavelength whose reflected peak is called Bragg wavelength and it depends on the period of the fiber and the refractive index. The simulation of FBG is based on solving the Coupled Mode Theory equation by using the Transfer Matrix Method which is carried out using MATLAB. It is found that spectral reflectivity is shifted when the change of temperature and strain is uniform. Under non-uniform temperature or strain perturbation, the spectrum is both shifted and destroyed. In case of transverse loading, reflectivity spectrum is split into two peaks, the first is specific to X axis, and the second belongs to Y axis. FBGs are used in civil engineering to detect perturbations applied to buildings.

The Truth about Good and Evil: A Mixed-Methods Approach to Color Theory

The color theory of good and evil is the association of colors to the omnipresent concept of good and evil, where human behavior and perception can be highly influenced by seeing black and white, making these connotations almost dangerously distinctive where they can be very hard to distinguish. This theory is a human construct that dates back to ancient Egypt and has been used since then in almost all forms of communication and expression, such as art, fashion, literature, and religious manuscripts, helping the implantation of preconceived ideas that influence behavior and society. This is a mixed-methods research that uses both surveys to collect quantitative data related to the theory and a vignette to collect qualitative data by using a scenario where participants aged between 18-25 will style two characters of good and bad characteristics with color contrasting clothes, both yielding results about the nature of the preconceived perceptions associated with ‘black and white’ and ‘good and evil’, illustrating the important role of media and communications in human behavior and subconscious, and also uncover how far this theory goes in the age of social media enlightenment.

Characterization and Design of a Crumb Rubber Modified Asphalt Mix Formulation

Laboratory trial results of mixing crumb rubber produced from discarded tires with 60/70 pen grade Kuwaiti bitumen are presented on this paper. PG grading and multiple stress creep recovery tests were conducted on Kuwaiti bitumen blended with 15% and 18% crumb rubber at temperatures ranging from 40 to 70 °C. The results from elastic recovery and non-recoverable creep presented optimum performance at 18% rubber content. The optimum rubberized-bitumen mix was next transformed into a pelletized form (PelletPave®), and was used as a partial replacement to the conventional bitumen in the manufacture of continuously graded hot mix asphalts at a number of binder contents. The trialed PelletPave® contents were at 2.5%, 3.0%, and 3.5% by mass of asphalt mix. In this investigation, it was not possible to utilize the results of standard Marshall method of mix design (i.e. volumetric, stability and flow tests) and subsequently additional assessment of mix compactability was carried out using gyratory compactor in order to determine the optimum PelletPave® and total binder contents.

Evaluation of As-Cast U-Mo Alloys Processed in Graphite Crucible Coated with Boron Nitride

This paper reports the production of uranium-molybdenum alloys, which have been considered promising fuel for test and research nuclear reactors. U-Mo alloys were produced in three molybdenum contents: 5 wt.%, 7 wt.%, and 10 wt.%, using an electric vacuum induction furnace. A boron nitride-coated graphite crucible was employed in the production of the alloys and, after melting, the material was immediately poured into a boron nitride-coated graphite mold. The incorporation of carbon was observed, but it happened in a lower intensity than in the case of the non-coated crucible/mold. It is observed that the carbon incorporation increased and alloys density decreased with Mo addition. It was also noticed that the increase in the carbon or molybdenum content did not seem to change the as-cast structure in terms of granulation. The three alloys presented body-centered cubic crystal structure (g phase), after solidification, besides a seeming negative microsegregation of molybdenum, from the center to the periphery of the grains. There were signs of macrosegregation, from the base to the top of the ingots.

Modelling and Control of Milk Fermentation Process in Biochemical Reactor

The biochemical industry is one of the most important modern industries. Biochemical reactors are crucial devices of the biochemical industry. The essential bioprocess carried out in bioreactors is the fermentation process. A thorough insight into the fermentation process and the knowledge how to control it are essential for effective use of bioreactors to produce high quality and quantitatively enough products. The development of the control system starts with the determination of a mathematical model that describes the steady state and dynamic properties of the controlled plant satisfactorily, and is suitable for the development of the control system. The paper analyses the fermentation process in bioreactors thoroughly, using existing mathematical models. Most existing mathematical models do not allow the design of a control system for controlling the fermentation process in batch bioreactors. Due to this, a mathematical model was developed and presented that allows the development of a control system for batch bioreactors. Based on the developed mathematical model, a control system was designed to ensure optimal response of the biochemical quantities in the fermentation process. Due to the time-varying and non-linear nature of the controlled plant, the conventional control system with a proportional-integral-differential controller with constant parameters does not provide the desired transient response. The improved adaptive control system was proposed to improve the dynamics of the fermentation. The use of the adaptive control is suggested because the parameters’ variations of the fermentation process are very slow. The developed control system was tested to produce dairy products in the laboratory bioreactor. A carbon dioxide concentration was chosen as the controlled variable. The carbon dioxide concentration correlates well with the other, for the quality of the fermentation process in significant quantities. The level of the carbon dioxide concentration gives important information about the fermentation process. The obtained results showed that the designed control system provides minimum error between reference and actual values of carbon dioxide concentration during a transient response and in a steady state. The recommended control system makes reference signal tracking much more efficient than the currently used conventional control systems which are based on linear control theory. The proposed control system represents a very effective solution for the improvement of the milk fermentation process.

Economic Model of Sustainable Value Chain in Passenger Waterway Transportation Service

The service of passenger waterway transportation lacks economic models that help in designing and implementing strategies to ensure its sustainability in several aspects (economic, social and environmental). The size of costs, though not the only one, is of particular importance in these models. However, traditionally, cost management has been focused only on reducing production costs, for the purpose of companies to keep prices low and gain market competitiveness. Although, with all the technological advances, and other restrictions imposed by the market in terms of service, in the case of passengers waterway transportation: intermodal competition; quality of service; or by regulatory environment for public concession and; in the aspect of business: to stay in the market with natural, demand and institutional restrictions, this view is not enough. Thus, there is an evolution of a traditional cost accounting to strategic cost management. On the other hand, it is important to consider other important dimensions and recognize that companies no longer exist in isolation, but they are part of highly integrated value and supplies chains. Therefore, this work will explore and analyze the sustainable value chain of passenger waterway transportation service using the tools of strategic cost management. The method will start from three components of analysis: (1) definition of basic elements of sustainable value chain; (2) identification of main restrictions to the chain development and aspects critical for service sustainability; (3) development of a cost model and propositions to overcome the bottlenecks found, to add value. Whether in the internal cost structure of the company; operational cost reduction strategies; in search of new markets, or to establish new partnerships or even; in the broadest level, in terms of investments in infrastructure or recommendations involving governance decisions to improve the current institutional environment. The case study will be developed in passenger transport companies located in the Lower Amazon, consolidated in this market, with defined enterprise structure of business sustainability, and who have already been willing to collaborate with the investigation. As results, it is expected to understand the cost structures that support sustainable value chains, namely, costs of activities and relevant cost objects in order to determine the cost drivers, profitability margins, cost reduction opportunities and conditions conducive to competitive advantages related to the different strategic options to cost leadership, differentiation or approach. Finally, in the model to be developed, the proper characterization of cost structure and value creation in transport processes under study may constitute reference points for future more sophisticated applied works of optimizing the resources involved and supporting the decision making, in particular with regard to operations research and quantitative methods more robust.