Search results for: small molecule inhibitor

Authors: Yupaporn Areepong

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The main goal of this paper is to study Statistical Process Control (SPC) with Exponentially Weighted Moving Average (EWMA) control chart when observations are serially-correlated. The characteristic of control chart is Average Run Length (ARL) which is the average number of samples taken before an action signal is given. Ideally, an acceptable ARL of in-control process should be enough large, so-called (ARL0). Otherwise it should be small when the process is out-of-control, so-called Average of Delay Time (ARL1) or a mean of true alarm. We find explicit formulas of ARL for EWMA control chart for Seasonal Autoregressive and Moving Average processes (SARMA) with Exponential white noise. The results of ARL obtained from explicit formula and Integral equation are in good agreement. In particular, this formulas for evaluating (ARL0) and (ARL1) be able to get a set of optimal parameters which depend on smoothing parameter (λ) and width of control limit (H) for designing EWMA chart with minimum of (ARL1).

Keywords: average run length, optimal parameters, exponentially weighted moving average (EWMA), control chart

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Authors: Maryam Hamedanlou, Shahla Hajializadeh

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The transdermal drug delivery system is one of the types of novel drug delivery system that the drug is absorbed into the skin. The major considerations for designing and producing transdermal patch are small size, suitable drug release and good adhering. In this study, drug-in-adhesive transdermal patch contained non-steroidal anti-inflammatory ketoprofen is prepared. Also, the effect of non-woven fabric and plastic backing layers on adhesion properties is assessed. The results of the test, demonstrated the use of plastic backing layer increases tack and peel rather than non-woven fabric type. The balance tack with plastic backing layer patch is 6.7 (N/mm2), and the fabric one is 3.8 (N/mm2), and their peel is 9.2 (N/25mm) and 8.3 (N/25mm) by arrangement.

Keywords: transdermal drug delivery system, single layer patch of ketoprofen, plastic layer, fabric backing layer

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Authors: Byeong-Sam Kim, Kyeongwoo Park

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In this study, induced structural optimization is performed to compare the trade-off between wing weight and induced drag for wing panel extensions, construction of wing panel and winglets. The aerostructural optimization problem consists of parameters with strength condition, and two maneuver conditions using residual stresses in panel production. The results of kinematic motion analysis presented a homogenization based theory for 3D beams and 3D shells for wing panel. This theory uses a kinematic description of the beam based on normalized displacement moments. The displacement of the wing is a significant design consideration as large deflections lead to large stresses and increased fatigue of components cause residual stresses. The stresses in the wing panel are small compared to the yield stress of aluminum alloy. This study describes the implementation of a large wing panel, aerostructural analysis and structural parameters optimization framework that couples a three-dimensional panel method.

Keywords: wing panel, aerostructural optimization, FEM, structural analysis

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Authors: Salam Alrekabi, A. B. Cundy, Mohammed Haloob Al-Majidi

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Novel multiscale hybrid reinforced cementitious composites based on carbon nanotubes (MHRCC-CNT), and carbon nanofibers (MHRCC-CNF) are new types of cement-based material fabricated with micro steel fibers and nanofilaments, featuring superior strain hardening, ductility, and energy absorption. This study focused on established models to predict the compressive strength, and direct and splitting tensile strengths of the produced cementitious composites. The analysis was carried out based on the experimental data presented by the previous author’s study, regression analysis, and the established models that available in the literature. The obtained models showed small differences in the predictions and target values with experimental verification indicated that the estimation of the mechanical properties could be achieved with good accuracy.

Keywords: multiscale hybrid reinforced cementitious composites, carbon nanotubes, carbon nanofibers, mechanical strength prediction

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Authors: Muhammad Asghar, A. I. Bhatti, T. Izhar

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The three-wheeled auto-rickshaw with a two or four-stroke Gasoline, Liquid Petrolium Gas (LPG) or Compressed Natural Gas (CNG) engine is a petite, highly maneuverable vehicle and best suited for the small and heavily-congested roads and is an affordable means of transportation in Pakistan cities. However due to in-efficient engine design, it is a main cause of air-pollution in the shape of white smoke (CO2) (greenhouse gases) at the tail pipe. Due to the environmental pollution, a huge number of battery powered vehicles have been imported from all over the world to fulfill the need of country. Effect of degree of hybridization on fuel economy and acceleration performance has been discussed in this paper. From mild to full hybridization stages have been examined. Optimal level of hybridization ranges depending on the total driving power of vehicle are suggested. The degree of hybridization is varied and fuel economy is seen accordingly by using Advisor (NREL) software. The novel vehicle drive-train is modeled and simulated in the Advisor software.

Keywords: advisor, hybridization, fuel economy, Three-Wheeled Rickshaw

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Authors: Mohd Abdullah

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This review describes some of the effects of repetitive strain/stress injury (RSI) on the human body especially among computer professionals today that spend extended hours of prolonged sitting in front of a computer day in and day out. The review briefly introduces the main factors that contribute to an increase of RSI among such computer professionals. The review briefly discusses how the human spinal column and knees are mainly affected by the onset of RSI resulting in poor posture. The root and secondary causes and effects of RSI are reviewed. The importance and value of the various breathing techniques are reviewed in an attempt to alleviate some of the effects of RSI. The review concludes with a small sample of suggested office stretches and poses geared towards at reducing RSI follows in this review. Readers will learn about the effects of RSI, as well as ways to cope with it. A better understanding of coping strategies may lead to well-being and a healthier overall lifestyle. Ultimately, the investment of time to connect with oneself with the poses and the power of the breath would promote a well-being that is overall healthier thus resulting in a better ability to cope/manage life stresses.

Keywords: health, wellness, repetitive, chairs

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Authors: Anum Ali, Kashaf ad Dooja, Asif Saleem

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The future smart cities trend will be towards Internet of Things (IoT); IoT creates dynamic connections in a ubiquitous manner. Smart cities offer ease and flexibility for daily life matters. By using small devices that are connected to cloud servers based on IoT, network traffic between these devices is growing exponentially, whose security is a concerned issue, since ratio of cyber attack may make the network traffic vulnerable. This paper discusses the latest machine learning approaches in related work further to tackle the increasing rate of cyber attacks, machine learning algorithm is applied to IoT-based network traffic data. The proposed algorithm train itself on data and identify different sections of devices interaction by using supervised learning which is considered as a classifier related to a specific IoT device class. The simulation results clearly identify the attacks and produce fewer false detections.

Keywords: IoT, traffic security, deep learning, classification

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Authors: S. Tunmee, P. Wongpanya, I. Toda, X. L. Zhou, Y. Nakaya, N. Konkhunthot, S. Arakawa, H. Saitoh

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The hydrogenated amorphous carbon films (a-C:H) were deposited on p-type Si (100) substrates at different thicknesses by radio frequency plasma enhanced chemical vapor deposition technique (rf-PECVD). Raman spectra display asymmetric diamond-like peaks, representative of the a-C:H films. The decrease of intensity ID/IG ratios revealed the sp3 content arise at different thicknesses of the a-C:H films. In terms of mechanical properties, the high hardness and elastic modulus values show the elastic and plastic deformation behaviors related to sp3 content in amorphous carbon films. Electro chemical properties showed that the a-C:H films exhibited excellent corrosion resistance in air-saturated 3.5 wt% NaCl solution for pH 2 at room temperature. Thickness increasing affected the small sp2 clusters in matrix, restricting the velocity transfer and exchange of electrons. The deposited a-C:H films exhibited excellent mechanical properties and corrosion resistance.

Keywords: thickness, mechanical properties, electrochemical corrosion properties, a-C:H film

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Authors: Ludmila Polechonska, Agnieszka Klink

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The biogeochemical studies of macrophytes shed light on elements bioavailability, transfer through the food webs and their possible effects on the biota, and provide a basis for their practical application in aquatic monitoring and remediation. Measuring the accumulation of elements in plants can provide time-integrated information about the presence of chemicals in aquatic ecosystems. The aim of the study was to determine and compare the contents of micro- and macroelements in two cosmopolitan macrophytes, submerged Ceratophyllum demersum (hornworth) and free-floating Hydrocharis morsus-ranae (European frog-bit), in order to assess their bioaccumulation potential, elements stock accumulated in each plant and their role in nutrients cycling in small water reservoirs. Sampling sites were designated in 25 oxbow lakes in urban areas in Lower Silesia (SW Poland). In each sampling site, fresh whole plants of C. demersum and H. morsus-ranae were collected from squares of 1x1 meters each where the species coexisted. European frog-bit was separated into leaves, stems and roots. For biomass measurement all plants growing on 1 square meter were collected, dried and weighed. At the same time, water samples were collected from each reservoir and their pH and EC were determined. Water samples were filtered and acidified and plant samples were digested in concentrated nitric acid. Next, the content of Ca, Cu, Fe, K, Mg, Mn, Ni and Zn was determined using atomic absorption method (AAS). Statistical analysis showed that C. demersum and organs of H. morsus-ranae differed significantly in respect of metals content (Kruskal-Wallis Anova, p<0.05). Contents of Cu, Mn, Ni and Zn were higher in hornwort, while European frog-bit contained more Ca, Fe, K, Mg. Bioaccumulation Factors (BCF=content in plant/concentration in water) showed similar pattern of metal bioaccumulation – microelements were more intensively accumulated by hornwort and macroelements by frog-bit. Based on BCF values both species may be positively evaluated as good accumulators of Cu, Fe, Mn, Ni and Zn. However, the distribution of metals in H. morsus-ranae was uneven – the majority of studied elements were retained in roots, which may indicate to existence of physiological barriers developed for dealing with toxicity. Some percent of Ca and K was actively transported to stems, but to leaves Mg only. Although the biomass of C. demersum was two times greater than biomass of H. morsus-ranae, the element off-take was greater only for Cu, Mn, Ni and Zn. Nevertheless, it can be stated that despite a relatively small biomass, compared to other macrophytes, both species may have an influence on the removal of trace elements from aquatic ecosystems and, as they serve as food for some animals, also on the incorporation of toxic elements into food chains. There was a significant positive correlation between content of Mn and Fe in water and roots of H. morus-ranae (R=0.51 and R=0.60, respectively) as well as between Cu concentration in water and in C. demersum (R=0.41) (Spearman rank correlation, p<0.05). High bioaccumulation rates and correlation between plants and water elements concentrations point to their possible use as passive biomonitors of aquatic pollution.

Keywords: aquatic plants, bioaccumulation, biomonitoring, macroelements, phytoremediation, trace metals

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Authors: Hosuk Shin, Young-Hyun Seo, Eunhak Lee, Seung-Young Kho

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Currently, in Seoul, users have the privilege to avoid riding crowded buses with the installation of Bus Information System (BIS). BIS has three levels of on-board bus ridership level information (spacious, normal, and crowded). However, there are flaws in the system due to it being real time which could provide incomplete information to the user. For example, a bus comes to the station, and on the BIS it shows that the bus is crowded, but on the stop that the user is waiting many people get off, which would mean that this station the information should show as normal or spacious. To fix this problem, this study predicts the bus ridership level using smart card data to provide more accurate information about the passenger ridership level on the bus. An Artificial Neural Network (ANN) is an interconnected group of nodes, that was created based on the human brain. Forecasting has been one of the major applications of ANN due to the data-driven self-adaptive methods of the algorithm itself. According to the results, the ANN algorithm was stable and robust with somewhat small error ratio, so the results were rational and reasonable.

Keywords: smartcard data, ANN, bus, ridership

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Authors: Gudelj Petra, Franic Ema, Kolega Maja

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Mental health is crucial for personal, social, and socio-economic development, becoming an increasingly relevant topic, especially in the post-global pandemic era. One vulnerable demographic comprises students who, during the pandemic, faced challenges such as adapting to new educational methods, societal or residential changes, heightened stress, responsibilities, and entering the job market. These life challenges proved insurmountable for some individuals during this phase. This research aimed to examine students' attitudes towards individuals seeking psychological help. By gaining a better understanding of young people's perceptions of seeking psychological assistance, a clearer insight into how to make psychological support more accessible and acceptable can be achieved. A questionnaire was completed by 210 students from various disciplines at the University of Zagreb. At the same time, the majority of students express a positive attitude towards seeking psychological help, a very small percentage reported having sought it. One of the most common obstacles to seeking appropriate help was a lack of financial means, with the most significant motivators being the positive experiences of those who sought help and an affordable cost.

Keywords: mental health, students, psychological support, attitudes

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Authors: Yulong Wang, Yuan Yan Tang, Cuiming Zou, Lina Yang

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This paper presents a novel sparse representation method for robust pattern classification. Generalized orthogonal matching pursuit (GOMP) is a recently proposed efficient sparse representation technique. However, GOMP adopts the mean square error (MSE) criterion and assign the same weights to all measurements, including both severely and slightly corrupted ones. To reduce the limitation, we propose an information-theoretic GOMP (ITGOMP) method by exploiting the correntropy induced metric. The results show that ITGOMP can adaptively assign small weights on severely contaminated measurements and large weights on clean ones, respectively. An ITGOMP based classifier is further developed for robust pattern classification. The experiments on public real datasets demonstrate the efficacy of the proposed approach.

Keywords: correntropy induced metric, matching pursuit, pattern classification, sparse representation

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Authors: Fanqiang Kong, Chending Bian

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In this work, we exploit two assumed properties of the abundances of the observed signatures (endmembers) in order to reconstruct the abundances from hyperspectral data. Joint-sparsity is the first property of the abundances, which assumes the adjacent pixels can be expressed as different linear combinations of same materials. The second property is rank-deficiency where the number of endmembers participating in hyperspectral data is very small compared with the dimensionality of spectral library, which means that the abundances matrix of the endmembers is a low-rank matrix. These assumptions lead to an optimization problem for the sparse unmixing model that requires minimizing a combined l_2,p-norm and nuclear norm. We propose a variable splitting and augmented Lagrangian algorithm to solve the optimization problem. Experimental evaluation carried out on synthetic and real hyperspectral data shows that the proposed method outperforms the state-of-the-art algorithms with a better spectral unmixing accuracy.

Keywords: hyperspectral unmixing, joint-sparse, low-rank representation, abundance estimation

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Authors: Md. Samsuddin Ansari, Ashish Arora

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Every year 10 million people fall ill with one of the oldest diseases known as tuberculosis, caused by Mycobacterium tuberculosis. The success of M. tuberculosis as a pathogen is because of its ability to persist in host tissues. Multidrug resistance (MDR) mycobacteria cases increase every day, which is associated with efflux pumps controlled at the level of transcription. The transcription regulators of MDR transporters in bacteria belong to one of the following four regulatory protein families: AraC, MarR, MerR, and TetR. Phenolic acid decarboxylase repressor (PadR), like a family of transcription regulators, is closely related to the MarR family. Phenolic acid decarboxylase repressor (PadR) was first identified as a transcription factor involved in the regulation of phenolic acid stress response in various microorganisms (including Mycobacterium tuberculosis H37Rv). Recently research has shown that the PadR family transcription factors are global, multifunction transcription regulators. Rv0047c is a PadR subfamily-1 protein. We are exploring the biophysical and structural characterization of Rv0047c. The Rv0047 gene was amplified by PCR using the primers containing EcoRI and HindIII restriction enzyme sites cloned in pET-NH6 vector and overexpressed in DH5α and BL21 (λDE3) cells of E. coli following purification with Ni2+-NTA column and size exclusion chromatography. We did DSC to know the thermal stability; the Tm (transition temperature) of protein is 55.29ºC, and ΔH (enthalpy change) of 6.92 kcal/mol. Circular dichroism to know the secondary structure and conformation and fluorescence spectroscopy for tertiary structure study of protein. To understand the effect of pH on the structure, function, and stability of Rv0047c we employed spectroscopy techniques such as circular dichroism, fluorescence, and absorbance measurements in a wide range of pH (from pH-2.0 to pH-12). At low and high pH, it shows drastic changes in the secondary and tertiary structure of the protein. EMSA studies showed the specific binding of Rv0047c with its own 30-bp promoter region. To determine the effect of complex formation on the secondary structure of Rv0047c, we examined the CD spectra of the complex of Rv0047c with promoter DNA of rv0047. The functional role of Rv0047c was characterized by over-expressing the Rv0047c gene under the control of hsp60 promoter in Mycobacterium tuberculosis H37Rv. We have predicted the three-dimensional structure of Rv0047c using the Swiss Model and Modeller, with validity checked by the Ramachandra plot. We did molecular docking of Rv0047c with dnaA, through PatchDock following refinement through FireDock. Through this, it is possible to easily identify the binding hot-stop of the receptor molecule with that of the ligand, the nature of the interface itself, and the conformational change undergone by the protein pattern. We are using X-crystallography to unravel the structure of Rv0047c. Overall the studies show that Rv0047c may have transcription regulation along with providing an insight into the activity of Rv0047c in the pH range of subcellular environment and helps to understand the protein-protein interaction, a novel target to kill dormant bacteria and potential strategy for tuberculosis control.

Keywords: mycobacterium tuberculosis, phenolic acid decarboxylase repressor, Rv0047c, Circular dichroism, fluorescence spectroscopy, docking, protein-protein interaction

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Authors: Ernesto Pineda Leon, Dante Tolentino Lopez, Janis Zapata Lopez

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The current paper shows the application of the boundary element method for the analysis of plates under shear stress causing plasticity. In this case, the shear deformation of a plate is considered by means of the Reissner’s theory. The probability of failure of a Reissner’s plate due to a proposed index plastic behavior is calculated taken into account the uncertainty in mechanical and geometrical properties. The problem is developed in two dimensions. The classic plasticity’s theory is applied and a formulation for initial stresses that lead to the boundary integral equations due to plasticity is also used. For the plasticity calculation, the Von Misses criteria is used. To solve the non-linear equations an incremental method is employed. The results show a relatively small failure probability for the ranges of loads between 0.6 and 1.0. However, for values between 1.0 and 2.5, the probability of failure increases significantly. Consequently, for load bigger than 2.5 the plate failure is a safe event. The results are compared to those that were found in the literature and the agreement is good.

Keywords: boundary element method, failure, plasticity, probability

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Authors: K. Menad, A. Feddag, M. A. Hassnaoui

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We are living in a time and in a world heavily polluted. In the list of the great dangers awaiting the man can be placed on top of the list pollution by heavy metals: lead, mercury, cadmium, etc. Fatigue, Depression, Thyroid disorder, Alzheimer's, Parkinson's, Cancer, are some of the health problems caused by heavy metal pollution. The environmental protection has long since become a major political and economic issue. Among the priorities, include safeguarding water resources. All countries of the world are concerned either because they lack water or because they pollute it. There are several ways to remove these heavy metals; ion exchange by zeolites is one of these ways, which our work is based on. Zeolites were among the main clean up materials by either adsorption, ion exchange and catalysis. Lead and cadmium, heavy metals, is one of the main dangers fulminate the flora and fauna of our small planet, so many resources are deployed to remedy them. The elimination of lead and cadmium by ion exchange has been extensively studied. However, exchange capacity of more and larger formed a major challenge for researchers and industry.

Keywords: composite, ion excahnge, zeolite LTA, zeolite x

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Authors: Sankara Rao Gollu, Ramakant Sharma, G. Srinivas, Souvik Kundu, Dipti Gupta

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In recent years, bulk heterojunction organic solar cells (BHJ OSCs) based on polymer–fullerene attracted a large research attention due to their numerous advantages such as light weight, easy processability, eco-friendly, low-cost, and capability for large area roll-to-roll manufacturing. BHJ OSCs usually suffer from insufficient light absorption due to restriction on keeping thin ( < 150 nm) photoactive layer because of small exciton diffusion length ( ~ 10 nm) and low charge carrier mobilities. It is thus highly desirable that light absorption as well as charge transport properties are enhanced by alternative methods so as to improve the device efficiency. In this work, therefore, we have focused on the strategy of incorporating metallic nanostructures in the active layer or charge transport layer to enhance the absorption and improve the charge transport.

Keywords: organic solar cell, efficiency, bulk heterojunction, polymer-fullerene

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Authors: M. H. Saeed, M. Rasool, M. A. Jawed

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Arc Flash Analysis has been a subject of great interest since the electrical fire incidents have been reduced to a great extent after the implementation of arc flash study at different sites. An Arc flash in substations is caused by short circuits over the air or other melted conductors and small shrapnel. Arc flash incidents result in the majority of deaths in substations worldwide. Engro Fertilizers Limited (EFERT) site having a mix of vintage non-internal arc rated and modern arc rated switchgears, carried out an arc flash study of the whole site in accordance with NFPA70E standard. The results not only included optimizing site protection coordination settings but also included marking of Shock and Arc flash protection boundaries in all switchgear rooms. Work permit procedures upgradation is also done in accordance with this study to ensure proper arc rated PPEs and arc flash boundaries protocols are fully observed and followed. With the new safety, protocols working on electrical equipment will be much safer than ever before.

Keywords: Arc flash, non-internal arc rated, protection coordination, shock boundary

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Authors: Alireza Abdikian

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By assuming a quantum relativistic degenerate electron-positron (e-p) plasma media, the nonlinear acoustic solitary propagation in the presence of the stationary ions for neutralizing the plasma background of bounded cylindrical geometry was investigated. By using the standard reductive perturbation technique with cooperation the quantum hydrodynamics model for the e-p fluid, the spherical Kadomtsev-Petviashvili equation was derived for small but finite amplitude waves and was given the solitary wave solution for the parameters relevant for dense astrophysical objects such as white dwarf stars. By using a suitable coordinate transformation and using improved F-expansion technique, the SKP equation can be solved analytically. The numerical results reveal that the relativistic effects lead to propagate the electrostatic bell shape structures and by increasing the relativistic effects, the amplitude and the width of the e-p acoustic solitary wave will decrease.

Keywords: Electron-positron plasma, Acoustic solitary wave, Relativistic plasmas, the spherical Kadomtsev-Petviashvili equation

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Authors: A. Bolaji Adesoye, Alimi Olorunfemi

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This paper examines the impact of small and medium-scale enterprises (SMEs) credit financing and financial market development and their shocks on the output growth of Nigeria. The study estimated a VAR model for Nigeria using 1970-2013 annual data series. Unit root tests and cointegration are carried out. The study also explores IRFs and FEVDs in a system that includes output, commercial bank loan to SMEs, domestic credit to private sector by banks, money supply, lending rate and investment. Findings suggest that shocks in commercial bank credit to SMEs has a major impact on the output changes of Nigeria. Money supply shocks also have a sizeable impact on output growth variations amidst other financial instruments. Lastly, neutrality of investment does not hold in Nigeria as it also has impact on output fluctuations.

Keywords: SMEs financing, financial development, investment, output, Nigeria

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Authors: Yoon Chung Kim

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In this coming aging society, medical device industry is expected to become one of the major industries. Since developing medical devices usually requires technology convergence, research collaboration is important, especially for some small and medium enterprises (SMEs) that do not have enough R&D resources in each related field. Collaboration in medical device development has some unique properties. Since it requires convergence technology, collaboration with different fields, and different types of people are often required. Since it requires clinical test, the development process usually takes longer and collaboration with hospitals is also required. However, despite these importance and uniqueness, collaboration in medical device development has not yet been widely studied. Thus, our research focuses on investigating collaborations in medical device development. For our research, we conducted surveys and interviews, especially with SMEs’ perspective in Korea. The result and discussion will be presented with a major impact factors for collaboration result, as well as future strategies that will improve and strengthen collaboration process in medical devices.

Keywords: medical device, SME, research collaboration, development, clinical

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Authors: Akeel A. Shah, Tong Zhang

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Computational approaches to learning the properties of materials are commonplace, motivated by the need to screen or design materials for a given application, e.g., semiconductors and energy storage. Experimental approaches can be both time consuming and costly. Unfortunately, computational approaches such as ab-initio electronic structure calculations and classical or ab-initio molecular dynamics are themselves can be too slow for the rapid evaluation of materials, often involving thousands to hundreds of thousands of candidates. Machine learning assisted approaches have been developed to overcome the time limitations of purely physics-based approaches. These approaches, on the other hand, require large volumes of data for training (hundreds of thousands on many standard data sets such as QM7b). This means that they are limited by how quickly such a large data set of physics-based simulations can be established. At high fidelity, such as configuration interaction, composite methods such as G4, and coupled cluster theory, gathering such a large data set can become infeasible, which can compromise the accuracy of the predictions - many applications require high accuracy, for example band structures and energy levels in semiconductor materials and the energetics of charge transfer in energy storage materials. In order to circumvent this problem, multi-fidelity approaches can be adopted, for example the Δ-ML method, which learns a high-fidelity output from a low-fidelity result such as Hartree-Fock or density functional theory (DFT). The general strategy is to learn a map between the low and high fidelity outputs, so that the high-fidelity output is obtained a simple sum of the physics-based low-fidelity and correction, Although this requires a low-fidelity calculation, it typically requires far fewer high-fidelity results to learn the correction map, and furthermore, the low-fidelity result, such as Hartree-Fock or semi-empirical ZINDO, is typically quick to obtain, For high-fidelity outputs the result can be an order of magnitude or more in speed up. In this work, a new multi-fidelity approach is developed, based on a graph convolutional network (GCN) combined with semi-supervised learning. The GCN allows for the material or molecule to be represented as a graph, which is known to improve accuracy, for example SchNet and MEGNET. The graph incorporates information regarding the numbers of, types and properties of atoms; the types of bonds; and bond angles. They key to the accuracy in multi-fidelity methods, however, is the incorporation of low-fidelity output to learn the high-fidelity equivalent, in this case by learning their difference. Semi-supervised learning is employed to allow for different numbers of low and high-fidelity training points, by using an additional GCN-based low-fidelity map to predict high fidelity outputs. It is shown on 4 different data sets that a significant (at least one order of magnitude) increase in accuracy is obtained, using one to two orders of magnitude fewer low and high fidelity training points. One of the data sets is developed in this work, pertaining to 1000 simulations of quinone molecules (up to 24 atoms) at 5 different levels of fidelity, furnishing the energy, dipole moment and HOMO/LUMO.

Keywords: .materials screening, computational materials, machine learning, multi-fidelity, graph convolutional network, semi-supervised learning

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Authors: Vladimir Berezin, Aizhan Turmagambetova, Andrey Bogoyavlenskiy, Pavel Alexyuk, Madina Alexyuk, Irina Zaitceva, Nadezhda Sokolova

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Introduction: Influenza viruses could infect approximately 5% to 10% of the global human population annually, resulting in serious social and economic damage. Vaccination and etiotropic antiviral drugs are used for the prevention and treatment of influenza. Vaccination is important; however, antiviral drugs represent the second line of defense against new emerging influenza virus strains for which vaccines may be unsuccessful. However, the significant drawback of commercial synthetic anti-flu drugs is the appearance of drug-resistant influenza virus strains. Therefore, the search and development of new anti-flu drugs efficient against drug-resistant strains is an important medical problem for today. The aim of this work was a study of four phenolic acids of plant origin (Gallic, Syringic, Vanillic, and Protocatechuic acids) as a possible tool for treatment against influenza virus. Methods: Phenolic acids; gallic, syringic, vanillic, and protocatechuic have been prepared by extraction from plant tissues and purified using high-performance liquid chromatography fractionation. Avian influenza virus, strain A/Tern/South Africa/1/1961 (H5N3) and human epidemic influenza virus, strain A/Almaty/8/98 (H3N2) resistant to commercial anti-flu drugs (Rimantadine, Oseltamivir) were used for testing antiviral activity. Viruses were grown in the allantoic cavity of 10 days old chicken embryos. The chemotherapeutic index (CTI), determined as the ratio of an average toxic concentration of the tested compound (TC₅₀) to the average effective virus-inhibition concentration (EC₅₀), has been used as a criteria of specific antiviral action. Results: The results of study have shown that the structure of phenolic acids significantly affected their ability to suppress the reproduction of tested influenza virus strains. The highest antiviral activity among tested phenolic acids was detected for gallic acid, which contains three hydroxyl groups in the molecule at C3, C4, and C5 positions. Antiviral activity of gallic acid against A/H5N3 and A/H3N2 influenza virus strains was higher than antiviral activity of Oseltamivir and Rimantadine. gallic acid inhibited almost 100% of the infection activity of both tested viruses. Protocatechuic acid, which possesses 2 hydroxyl groups (C3 and C4) have shown weaker antiviral activity in comparison with gallic acid and inhibited less than 10% of virus infection activity. Syringic acid, which contains two hydroxyl groups (C3 and C5), was able to suppress up to 12% of infection activity. Substitution of two hydroxyl groups by methoxy groups resulted in the complete loss of antiviral activity. Vanillic acid, which is different from protocatechuic acid by replacing of C3 hydroxyl group to methoxy group, was able to suppress about 30% of infection activity of tested influenza viruses. Conclusion: For pronounced antiviral activity, the molecular of phenolic acid must have at least two hydroxyl groups. Replacement of hydroxyl groups to methoxy group leads to a reduction of antiviral properties. Gallic acid demonstrated high antiviral activity against influenza viruses, including Rimantadine and Oseltamivir resistant strains, and could be used as a potential candidate for the development of antiviral drug against influenza virus.

Keywords: antiviral activity, influenza virus, drug resistance, phenolic acids

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Authors: M. Dagim Yoseph, M. K. Savage, A. D. Jolly, C. J. Ebinger

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Whakaari/White Island has been the most active New Zealand volcano in the 21st century, producing small phreatic and phreatomagmatic eruptions, which are hard to predict. The most recent eruption occurred in 2019, tragically claiming the lives of 22 individuals and causing numerous injuries. We employed shear-wave splitting analyses to investigate variations in anisotropy between 2018 and 2020, during quiescence, unrest, and the eruption. We examined spatial and temporal variations in 3499 shear-wave splitting and 2656 V_p/V_s ratio measurements. Comparing shear-wave splitting parameters from similar earthquake paths across different times indicates that the observed temporal changes are unlikely to result from variations in earthquake paths through media with spatial variability. Instead, these changes may stem from variations in anisotropy over time, likely caused by changes in crack alignment due to stress or varying fluid content.

Keywords: background seismic waves, fast orientations, seismic anisotropy, V_p/V_s ratio

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Authors: Kyoungwoo Park, Gil Dong Kim, Seong Joon Moon, Ho Kil Lee

Abstract:

The Urea-SCR is one of the most efficient technologies to reduce NOx emissions in diesel engines. In the present work, the computational prediction of internal flow and spray characteristics in the Urea-SCR system was carried out by using 3D-CFD simulation to evaluate NH3 uniformity index (NH3 UI) and its activation time according to the official New European Driving Cycle (NEDC). The number of nozzle and its diameter, two types of injection directions, and penetration length were chosen as the design variables. The optimal solutions were obtained by coupling the CFD analysis with Taguchi method. The L16 orthogonal array and small-the-better characteristics of the Taguchi method were used, and the optimal values were confirmed to be valid with 95% confidence and 5% significance level through analysis of variance (ANOVA). The results show that the optimal solutions for the NH3 UI and activation time (NH3 UI 0.22) are obtained by 0.41 and 0,125 second, respectively, and their values are improved by 85.0% and 10.7%, respectively, compared with those of the base model.

Keywords: computational fluid dynamics, NH3 uniformity index, optimization, Taguchi method, Urea-SCR system, UWS injector

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Authors: Chandan Pramanik, Bikramjit Chanda

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Large metal mines operated with open-cast mining methods must transition to underground mining at the conclusion of the operation; however, this requires a period of a difficult time when production convergence due to interference between the two mining methods. A transition model with collaborative mining operations is presented and established in this work, based on the case of the South Kaliapani Underground Project, to address these technical issues of inadequate production security and other mining challenges during the transition phase and beyond. By integrating the technology of the small-scale Drift and Fill method and Highly productive Sub Level Open Stoping at deep section, this hybrid mining concept tries to eliminate major bottlenecks and offers an optimized production profile with the safe and sustainable operation. Considering every geo-mining aspect, this study offers a genuine and precise technical deliberation for the transition from open pit to underground mining.

Keywords: drift and fill, geo-mining aspect, sublevel open stoping, underground mining method

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Authors: Harriet Bothwell, Lowri Evans, Kevin Jones

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Background: The University of Bristol provides all medical students the opportunity to undertake student selected components (SSCs) at multiple stages of the undergraduate programme. SSCs enable students to explore areas of interest that are not necessarily covered by the curriculum. Students are required to produce a written report and most use SSCs as an opportunity to undertake an audit or small research project. In 2013 Swindon Academy, based at the Great Western Hospital, offered eight students the opportunity of a global health SSC which included a two week trip to rural hospital in Uganda. This SSC has since expanded and in 2017 a total of 20 students had the opportunity to undertake small research projects at two hospitals in rural Uganda. 'Tomorrows Doctors' highlights the importance of understanding healthcare from a 'global perspective' and student feedback from previous SSCs suggests that self-assessed knowledge of global health increases as a result of this SSC. Through the most recent version of this SSC students had the opportunity to undertake projects in a wide range of specialties including paediatrics, palliative care, surgery and medical education. Methods: An anonymous online questionnaire was made available to students following the SSC. There was a response rate of 80% representing 16 out of the 20 students. This questionnaire surveyed students’ satisfaction and experience of the SSC including the level of academic, project and spiritual support provided as well as perceived challenges in completing the project and barriers to healthcare delivery in the low resource setting. This survey had multiple open questions allowing the collection of qualitative data. Further qualitative data was collected from the students’ project report. The suggested format included a reflection and all students completed these. All qualitative data underwent thematic analysis. Results: All respondents rated the overall experience of the SSC as 'good' or 'excellent'. Preliminary data suggest that students’ confidence in their knowledge of global health, diagnosis of tropical diseases and management of tropical diseases improved after completing this SSC. Thematic analysis of students' reflection is ongoing but suggests that students gain far more than improved knowledge of tropical diseases. Students reflect positively on having the opportunity to research in a low resource setting and feel that by completing these projects they will be 'useful' to the hospital. Several students reflect the stark contrast to healthcare delivery in the UK and recognise the 'privilege' of having a healthcare system that is free at the point of access. Some students noted the different approaches that clinicians in Uganda had to train in 'taking ownership' of their own learning. Conclusions: Students completing this SSC report increased knowledge of global health and tropical medicine. However, their reflections reveal much broader learning outcomes and demonstrate considerable insight in multiple topics including conducting research in the low resource setting, training and healthcare inequality.

Keywords: global health, medical education, student feedback, undergraduate

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Authors: Hoi-Lam Ma, Sai-Ho Chung

Abstract:

In traditional integrated berth allocation with quay crane assignment models, time dimension is usually assumed in hourly based. However, nowadays, transshipment becomes the main business to many container terminals, especially in Southeast Asia (e.g. Hong Kong and Singapore). In these terminals, vessel arrivals are usually very frequent with small handling volume and very short staying time. Therefore, the traditional hourly-based modeling approach may cause significant berth and quay crane idling, and consequently cannot meet their practical needs. In this connection, a 15-minute-based modeling approach is requested by industrial practitioners. Accordingly, a Three-level Genetic Algorithm (3LGA) with Quay Crane (QC) shifting heuristics is designed to fulfill the research gap. The objective function here is to minimize the total service time. Preliminary numerical results show that the proposed 15-minute-based approach can reduce the berth and QC idling significantly.

Keywords: transshipment, integrated berth allocation, variable-in-time quay crane assignment, quay crane assignment

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Authors: P. Singh, S. Mittal

Abstract:

Stability of slope in Chamoli Distt. near River Alaknanda in Uttarakhand is essential to safeguard the infrastructure of the slope where a dam is proposed to be built near this slope. Every year the areas near the slope have been facing severe landslides (small or big) due to intensive precipitation inflicting substantial damages as per Geological Survey of India records. The stability analysis of the slope under static and pseudo static conditions are presented in this study by using FEM software PHASE2. As per the earthquake zonation map of India, the slope is found in zone V, and hence, pseudo static stability of slope has been performed considering pseudo static analysis. For analysing the slope Mohr-Coulomb shear strength criteria is adopted for soil material and self-drilling anchors are modelled as bolts with parameters like modulus of elasticity, diameter of anchors and peak pull-out resistance of the anchors with the soil present there. The slope is found to be unstable under pseudo static conditions with computed factor of safety= 0.93. Stability is provided to the slope by using Self Drilling Anchors (SDA) which gives factor of safety= 1.15 under pseudo static condition.

Keywords: FEM, pseudo static, self-drilling anchors, slope stability

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Authors: Diep Thanh Tung, Joachim Aurbacher

Abstract:

This study aims to measure the level of on-farm diversification in Vietnam. The empirical results of the research carried out reflect regional differences in terms of on-farm diversification and its determinants. Households in the northern regions have adapted to the fragmented and small-sized parcels of land held by diversifying their on-farm activities. In contrast, the Mekong delta region in the south of Vietnam is characterized by larger agricultural parcels and a specialization in rice production. Land use fragmentation, as reflected by a large number of plots in a given area, is one of the most important reasons for the high levels of on-farm diversification seen, while the higher share of non-farm income in total income is the reason of lower levels of on-farm diversification. Households have reacted to natural and economic shocks by diversifying their on-farm activities. The non-stationary Markov chain model used here shows various diversification scenarios and trends. In most cases, on-farm diversification generally tends to reduce over the next few years.

Keywords: diversification, simpson index, fixed effects, non-stationary markov chain

Procedia PDF Downloads 480