Search results for: multi cloud storage
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 6536

Search results for: multi cloud storage

1346 Human Vibrotactile Discrimination Thresholds for Simultaneous and Sequential Stimuli

Authors: Joanna Maj

Abstract:

Body machine interfaces (BMIs) afford users a non-invasive way coordinate movement. Vibrotactile stimulation has been incorporated into BMIs to allow feedback in real-time and guide movement control to benefit patients with cognitive deficits, such as stroke survivors. To advance research in this area, we examined vibrational discrimination thresholds at four body locations to determine suitable application sites for future multi-channel BMIs using vibration cues to guide movement planning and control. Twelve healthy adults had a pair of small vibrators (tactors) affixed to the skin at each location: forearm, shoulders, torso, and knee. A "standard" stimulus (186 Hz; 750 ms) and "probe" stimuli (11 levels ranging from 100 Hz to 235 Hz; 750 ms) were delivered. Probe and test stimulus pairs could occur sequentially or simultaneously (timing). Participants verbally indicated which stimulus felt more intense. Stimulus order was counterbalanced across tactors and body locations. Probabilities that probe stimuli felt more intense than the standard stimulus were computed and fit with a cumulative Gaussian function; the discrimination threshold was defined as one standard deviation of the underlying distribution. Threshold magnitudes depended on stimulus timing and location. Discrimination thresholds were better for stimuli applied sequentially vs. simultaneously at the torso as well as the knee. Thresholds were small (better) and relatively insensitive to timing differences for vibrations applied at the shoulder. BMI applications requiring multiple channels of simultaneous vibrotactile stimulation should therefore consider the shoulder as a deployment site for a vibrotactile BMI interface.

Keywords: electromyography, electromyogram, neuromuscular disorders, biomedical instrumentation, controls engineering

Procedia PDF Downloads 63
1345 Roof and Road Network Detection through Object Oriented SVM Approach Using Low Density LiDAR and Optical Imagery in Misamis Oriental, Philippines

Authors: Jigg L. Pelayo, Ricardo G. Villar, Einstine M. Opiso

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The advances of aerial laser scanning in the Philippines has open-up entire fields of research in remote sensing and machine vision aspire to provide accurate timely information for the government and the public. Rapid mapping of polygonal roads and roof boundaries is one of its utilization offering application to disaster risk reduction, mitigation and development. The study uses low density LiDAR data and high resolution aerial imagery through object-oriented approach considering the theoretical concept of data analysis subjected to machine learning algorithm in minimizing the constraints of feature extraction. Since separating one class from another in distinct regions of a multi-dimensional feature-space, non-trivial computing for fitting distribution were implemented to formulate the learned ideal hyperplane. Generating customized hybrid feature which were then used in improving the classifier findings. Supplemental algorithms for filtering and reshaping object features are develop in the rule set for enhancing the final product. Several advantages in terms of simplicity, applicability, and process transferability is noticeable in the methodology. The algorithm was tested in the different random locations of Misamis Oriental province in the Philippines demonstrating robust performance in the overall accuracy with greater than 89% and potential to semi-automation. The extracted results will become a vital requirement for decision makers, urban planners and even the commercial sector in various assessment processes.

Keywords: feature extraction, machine learning, OBIA, remote sensing

Procedia PDF Downloads 358
1344 The Effect of Photovoltaic Integrated Shading Devices on the Energy Performance of Apartment Buildings in a Mediterranean Climate

Authors: Jenan Abu Qadourah

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With the depletion of traditional fossil resources and the growing human population, it is now more important than ever to reduce our energy usage and harmful emissions. In the Mediterranean region, the intense solar radiation contributes to summertime overheating, which raises energy costs and building carbon footprints, alternatively making it suitable for the installation of solar energy systems. In urban settings, where multi-story structures predominate and roof space is limited, photovoltaic integrated shading devices (PVSD) are a clean solution for building designers. However, incorporating photovoltaic (PV) systems into a building's envelope is a complex procedure that, if not executed correctly, might result in the PV system failing. As a result, potential PVSD design solutions must be assessed based on their overall energy performance from the project's early design stage. Therefore, this paper aims to investigate and compare the possible impact of various PVSDs on the energy performance of new apartments in the Mediterranean region, with a focus on Amman, Jordan. To achieve the research aim, computer simulations were performed to assess and compare the energy performance of different PVSD configurations. Furthermore, an energy index was developed by taking into account all energy aspects, including the building's primary energy demand and the PVSD systems' net energy production. According to the findings, the PVSD system can meet 12% to 43% of the apartment building's electricity needs. By highlighting the potential interest in PVSD systems, this study aids the building designer in producing more energy-efficient buildings and encourages building owners to install PV systems on the façade of their buildings.

Keywords: photovoltaic integrated shading device, solar energy, architecture, energy performance, simulation, overall energy index, Jordan

Procedia PDF Downloads 79
1343 Grassland Phenology in Different Eco-Geographic Regions over the Tibetan Plateau

Authors: Jiahua Zhang, Qing Chang, Fengmei Yao

Abstract:

Studying on the response of vegetation phenology to climate change at different temporal and spatial scales is important for understanding and predicting future terrestrial ecosystem dynamics andthe adaptation of ecosystems to global change. In this study, the Moderate Resolution Imaging Spectroradiometer (MODIS) Normalized Difference Vegetation Index (NDVI) dataset and climate data were used to analyze the dynamics of grassland phenology as well as their correlation with climatic factors in different eco-geographic regions and elevation units across the Tibetan Plateau. The results showed that during 2003–2012, the start of the grassland greening season (SOS) appeared later while the end of the growing season (EOS) appeared earlier following the plateau’s precipitation and heat gradients from southeast to northwest. The multi-year mean value of SOS showed differences between various eco-geographic regions and was significantly impacted by average elevation and regional average precipitation during spring. Regional mean differences for EOS were mainly regulated by mean temperature during autumn. Changes in trends of SOS in the central and eastern eco-geographic regions were coupled to the mean temperature during spring, advancing by about 7d/°C. However, in the two southwestern eco-geographic regions, SOS was delayed significantly due to the impact of spring precipitation. The results also showed that the SOS occurred later with increasing elevation, as expected, with a delay rate of 0.66 d/100m. For 2003–2012, SOS showed an advancing trend in low-elevation areas, but a delayed trend in high-elevation areas, while EOS was delayed in low-elevation areas, but advanced in high-elevation areas. Grassland SOS and EOS changes may be influenced by a variety of other environmental factors in each eco-geographic region.

Keywords: grassland, phenology, MODIS, eco-geographic regions, elevation, climatic factors, Tibetan Plateau

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1342 Remote Sensing through Deep Neural Networks for Satellite Image Classification

Authors: Teja Sai Puligadda

Abstract:

Satellite images in detail can serve an important role in the geographic study. Quantitative and qualitative information provided by the satellite and remote sensing images minimizes the complexity of work and time. Data/images are captured at regular intervals by satellite remote sensing systems, and the amount of data collected is often enormous, and it expands rapidly as technology develops. Interpreting remote sensing images, geographic data mining, and researching distinct vegetation types such as agricultural and forests are all part of satellite image categorization. One of the biggest challenge data scientists faces while classifying satellite images is finding the best suitable classification algorithms based on the available that could able to classify images with utmost accuracy. In order to categorize satellite images, which is difficult due to the sheer volume of data, many academics are turning to deep learning machine algorithms. As, the CNN algorithm gives high accuracy in image recognition problems and automatically detects the important features without any human supervision and the ANN algorithm stores information on the entire network (Abhishek Gupta., 2020), these two deep learning algorithms have been used for satellite image classification. This project focuses on remote sensing through Deep Neural Networks i.e., ANN and CNN with Deep Sat (SAT-4) Airborne dataset for classifying images. Thus, in this project of classifying satellite images, the algorithms ANN and CNN are implemented, evaluated & compared and the performance is analyzed through evaluation metrics such as Accuracy and Loss. Additionally, the Neural Network algorithm which gives the lowest bias and lowest variance in solving multi-class satellite image classification is analyzed.

Keywords: artificial neural network, convolutional neural network, remote sensing, accuracy, loss

Procedia PDF Downloads 153
1341 Computational Fluid Dynamics Simulation on Heat Transfer of Hot Air Bubble Injection into Water Column

Authors: Jae-Yeong Choi, Gyu-Mok Jeon, Jong-Chun Park, Yong-Jin Cho, Seok-Tae Yoon

Abstract:

When air flow is injected into water, bubbles are formed in various types inside the water pool along with the air flow rate. The bubbles are floated in equilibrium with forces such as buoyancy, surface tension and shear force. Single bubble generated at low flow rate maintains shape, but bubbles with high flow rate break up to make mixing and turbulence. In addition to this phenomenon, as the hot air bubbles are injected into the water, heat affects the interface of phases. Therefore, the main scope of the present work reveals how to proceed heat transfer between water and hot air bubbles injected into water. In the present study, a series of CFD simulation for the heat transfer of hot bubbles injected through a nozzle near the bottom in a cylindrical water column are performed using a commercial CFD software, STAR-CCM+. The governing equations for incompressible and viscous flow are the continuous and the RaNS (Reynolds- averaged Navier-Stokes) equations and discretized by the FVM (Finite Volume Method) manner. For solving multi-phase flow, the Eulerian multiphase model is employed and the interface is defined by VOF (Volume-of-Fluid) technique. As a turbulence model, the SST k-w model considering the buoyancy effects is introduced. For spatial differencing the 3th-order MUSCL scheme is adopted and the 2nd-order implicit scheme for time integration. As the results, the dynamic behavior of the rising hot bubbles with the flow rate injected and regarding heat transfer mechanism are discussed based on the simulation results.

Keywords: heat transfer, hot bubble injection, eulerian multiphase model, flow rate, CFD (Computational Fluid Dynamics)

Procedia PDF Downloads 147
1340 Study of Parking Demand for Offices – Case Study: Kolkata

Authors: Sanghamitra Roy

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In recent times, India has experienced the phenomenal rise in the number of registered vehicles and vehicular trips, particularly intra-city trips in most of its urban areas. The increase in vehicle ownership and use have increased parking demand immensely and accommodating the same is now a matter of big concern. Most cities do not have adequate off-street parking facilities thus forcing people to park on the streets. This has resulted in decreased carrying capacity, decreased traffic speed, increased congestion, and increased environmental problems. While integrated multi-modal transportation system is the answer to such problems, parking issues will continue to exist. In Kolkata, only 6.4% land is devoted for roads. The consequences of this huge crunch in road spaces coupled with increased parking demand are severe particularly in the CBD and major commercial areas, making the role of off-street parking facilities in Kolkata even more critical. To meaningfully address parking issues, it is important to identify the factors that influence parking demand so that it can be assessed and comprehensive parking policies and plans for the city can be formulated. This paper aims at identifying the factors that contribute towards parking demand for offices in Kolkata and their degree of correlation with parking demand. The study is limited to home-to-work trips located within Kolkata Municipal Corporation (KMC) where parking related issues are most pronounced. The data for the study is collected through personal interviews, questionnaires and direct observations from offices across the wards of KMC. SPSS is used for classification of the data and analyses of the same. The findings of this study will help in re-assessment of the parking requirements specified in The Kolkata Municipal Corporation Building Rules as a step towards alleviating parking related issues in the city.

Keywords: building rules, office spaces, parking demand, urbanization

Procedia PDF Downloads 316
1339 Study of Efficiency of Flying Animal Using Computational Simulation

Authors: Ratih Julistina, M. Agoes Moelyadi

Abstract:

Innovation in aviation technology evolved rapidly by time to time for acquiring the most favorable value of utilization and is usually denoted by efficiency parameter. Nature always become part of inspiration, and for this sector, many researchers focused on studying the behavior of flying animal to comprehend the fundamental, one of them is birds. Experimental testing has already conducted by several researches to seek and calculate the efficiency by putting the object in wind tunnel. Hence, computational simulation is needed to conform the result and give more visualization which is based on Reynold Averaged Navier-Stokes equation solution for unsteady case in time-dependent viscous flow. By creating model from simplification of the real bird as a rigid body, those are Hawk which has low aspect ratio and Swift with high aspect ratio, subsequently generating the multi grid structured mesh to capture and calculate the aerodynamic behavior and characteristics. Mimicking the motion of downstroke and upstroke of bird flight which produced both lift and thrust, the sinusoidal function is used. Simulation is carried out for varied of flapping frequencies within upper and lower range of actual each bird’s frequency which are 1 Hz, 2.87 Hz, 5 Hz for Hawk and 5 Hz, 8.9 Hz, 13 Hz for Swift to investigate the dependency of frequency effecting the efficiency of aerodynamic characteristics production. Also, by comparing the result in different condition flights with the morphology of each bird. Simulation has shown that higher flapping frequency is used then greater aerodynamic coefficient is obtained, on other hand, efficiency on thrust production is not the same. The result is analyzed from velocity and pressure contours, mesh movement as to see the behavior.

Keywords: characteristics of aerodynamic, efficiency, flapping frequency, flapping wing, unsteady simulation

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1338 Construction and Optimization of Green Infrastructure Network in Mountainous Counties Based on Morphological Spatial Pattern Analysis and Minimum Cumulative Resistance Models: A Case Study of Shapingba District, Chongqing

Authors: Yuning Guan

Abstract:

Under the background of rapid urbanization, mountainous counties need to break through mountain barriers for urban expansion due to undulating topography, resulting in ecological problems such as landscape fragmentation and reduced biodiversity. Green infrastructure networks are constructed to alleviate the contradiction between urban expansion and ecological protection, promoting the healthy and sustainable development of urban ecosystems. This study applies the MSPA model, the MCR model and Linkage Mapper Tools to identify eco-sources and eco-corridors in the Shapingba District of Chongqing and combined with landscape connectivity assessment and circuit theory to delineate the importance levels to extract ecological pinch point areas on the corridors. The results show that: (1) 20 ecological sources are identified, with a total area of 126.47 km², accounting for 31.88% of the study area, and showing a pattern of ‘one core, three corridors, multi-point distribution’. (2) 37 ecological corridors are formed in the area, with a total length of 62.52km, with a ‘more in the west, less in the east’ pattern. (3) 42 ecological pinch points are extracted, accounting for 25.85% of the length of the corridors, which are mainly distributed in the eastern new area. Accordingly, this study proposes optimization strategies for sub-area protection of ecological sources, grade-level construction of ecological corridors, and precise restoration of ecological pinch points.

Keywords: green infrastructure network, morphological spatial pattern, minimal cumulative resistance, mountainous counties, circuit theory, shapingba district

Procedia PDF Downloads 40
1337 Studying Second Language Development from a Complex Dynamic Systems Perspective

Authors: L. Freeborn

Abstract:

This paper discusses the application of complex dynamic system theory (DST) to the study of individual differences in second language development. This transdisciplinary framework allows researchers to view the trajectory of language development as a dynamic, non-linear process. A DST approach views language as multi-componential, consisting of multiple complex systems and nested layers. These multiple components and systems continuously interact and influence each other at both the macro- and micro-level. Dynamic systems theory aims to explain and describe the development of the language system, rather than make predictions about its trajectory. Such a holistic and ecological approach to second language development allows researchers to include various research methods from neurological, cognitive, and social perspectives. A DST perspective would involve in-depth analyses as well as mixed methods research. To illustrate, a neurobiological approach to second language development could include non-invasive neuroimaging techniques such as electroencephalography (EEG) and functional magnetic resonance imaging (fMRI) to investigate areas of brain activation during language-related tasks. A cognitive framework would further include behavioural research methods to assess the influence of intelligence and personality traits, as well as individual differences in foreign language aptitude, such as phonetic coding ability and working memory capacity. Exploring second language development from a DST approach would also benefit from including perspectives from the field of applied linguistics, regarding the teaching context, second language input, and the role of affective factors such as motivation. In this way, applying mixed research methods from neurobiological, cognitive, and social approaches would enable researchers to have a more holistic view of the dynamic and complex processes of second language development.

Keywords: dynamic systems theory, mixed methods, research design, second language development

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1336 Stepping in Sustainability: Walkability an Upcoming Design Parameter for Transit Based Communities in Lahore, Pakistan

Authors: Sadaf Saeed

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The consideration of walkability as an urban design parameter in conjunction with transit-oriented development is an established trend in the developed countries but an upcoming trend in developing countries. In Pakistan, the first Bus Rapid Transit (locally called as Metro Bus) has been introduced in the city of Lahore in 2013 where around 40 percent of the riders access to transit stations by walking. To what extent the aspect of walkability has been considered in the local scenario? To address this question, this paper presents an account of urban design parameters regarding pedestrian provisions and quality of walking environment between Metro Bus stations and users’ destination in the transit neighbourhoods (areas up to 500-meter radius). The primary and secondary data for objective and subjective walkability measurements has been used for neighbourhoods of five selected transit stations ranked against the predefined critical assessed factors (CAF). The multi-criteria approach including visual and geospatially-based parameters at street level, along with walkability index score at selected sites linked with CAF evaluation were the selected methods for this study. The acceptability of walkability as an urban design parameter for transit planning in terms of connectivity and social implications of the concept has also been analysed in the local context. The paper highlights that the aspect of walkability in Lahore is being derelict owing to the focus of government on other initiatives such as park and ride and feeder bus services for mobility of passengers. However, the pedestrian-friendly design parameters as a part of future transit planning can enhance social, liveable and interactive walking environment within transit neighbourhoods.

Keywords: walkability, sustainability, transit neighborhoods, social communities

Procedia PDF Downloads 241
1335 Investigating the Relationship of Social Capital with Student's Aggressive Behavior: Case Study of Male Students of Middle School in Isfahan

Authors: Mohammadreza Kolaei, Vahid Ghasemi, Ebrahim Ansari

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This research was carried out with the aim of investigating the relationship between social capital and aggressive behavior of students (Case study: male students of middle school in Isfahan). In terms of methodology, this research is an applied research which is done by descriptive-analytical method and survey method. The instrument for collecting the data was a questionnaire consisting of: questionnaire for measuring aggressive behavior and social capital questionnaire, which was used after the validity and reliability of this questionnaire. On the other hand, the statistical population of the study consisted of all students in the guidance school of Isfahan in the academic year of 2016. For determining the sample size, the Kerjesy and Morgan tables were used and the sampling method of this multi-stage random sampling was used. After collecting the data, they were analyzed by SPSS software. The findings of the research showed that at 95% confidence level, the student's social capital increases, reducing his aggressiveness. Also, the amount of student aggression is estimated at 4% according to its social capital. Also, with increasing social capital of the school, the student's student aggression is reduced, with the student's student aggression's exposure to her social capital being estimated at 3%. On the other hand, increasing the amount of mother's presence in the home decreases the amount of student aggression. Also, the amount of student aggression is estimated at 1% according to the amount of mother's presence in her home. Ultimately, the amount of student aggression decreases with increasing presence of father at home. Also, the amount of student aggression is estimated at 2% according to the variable of father's presence in his home.

Keywords: investigating, social capital, aggressive behavior, students, middle school, Isfahan

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1334 Long-Term Cohort of Patients with Beta Thalassemia; Prevailing Role of Serum Ferritin Levels in Hypocalcemia and Growth Retardation

Authors: Shervin Rashidinia, Sara Shahmoradi, Seyyed Shahin Eftekhari, Mohsen Talebizadeh, Mohammad Saleh Sadeghi

Abstract:

Background: Beta-thalassemia Major (BTM) is a kind of hereditary hemolytic anemia which depended on regular monthly blood transfusion. However, iron deposition into the organs leads to multi-organ damage. The present study is the first study which aimed to evaluate the average of five-years serum ferritin level and compared by the prevalence of short stature and hypocalcemia. Materials/Methods: A cross-sectional retrospective study which a total of 140 patients with beta-thalassemia who were referred to Qom Thalassemia Clinic between February 2011 and July 2016 were enrolled to be reviewed. The exclusion criteria were consisting of incomplete medical records, diagnosis less than 2-years-ago and the blood transfusion less than every 4 weeks. The data including age, gender, weight, height, age of initial blood transfusion, age of initial chelation therapy, ferritin, and calcium were collected and analysis by SPSS version 24. Results: A total of 140 patients were enrolled. Of them, 75 (53.4%) were female. The mean age of the patients was 13.4±4.6 years.The mean age of initial diagnosis was 20.2±7.4 months. Hypocalcemia and short stature were occurred in 41 (29.3%) and 37 (26.4%) patients, respectively. The mean five-years serum ferritin level was significantly higher in the patients with short stature and hypocalcemia (P<0.0001). However, rise in serum ferritin level significantly increases the risk of short-stature and hypocalcemia (1.0004- and 1.0029 fold, respectively). Conclusion: We demonstrated that prevalence of short stature and hypocalcemia were significantly higher in the BTM.However, ferritin significantly increases the risk of short stature and hypocalcemia.

Keywords: beta-thalassemia, ferritin, growth retardation, hypocalcemia

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1333 Recession Rate of Gangotri and Its Tributary Glacier, Garhwal Himalaya, India through Kinematic GPS Survey and Satellite Data

Authors: Harish Bisht, Bahadur Singh Kotlia, Kireet Kumar

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In order to reconstruct past retreating rates, total area loss, volume change and shift in snout position were measured through multi-temporal satellite data from 1989 to 2016 and kinematic GPS survey from 2015 to 2016. The results obtained from satellite data indicate that in the last 27 years, Chaturangi glacier snout has retreated 1172.57 ± 38.3 m (average 45.07 ± 4.31 m/year) with a total area and volume loss of 0.626 ± 0.001 sq. Km and 0.139 Km³, respectively. The field measurements through differential global positioning system survey revealed that the annual retreating rate was 22.84 ± 0.05 m/year. The large variations in results derived from both the methods are probably because of higher difference in their accuracy. Snout monitoring of the Gangotri glacier during the ablation season (May to September) in the years 2005 and 2015 reveals that the retreating rate has been comparatively more declined than that shown by the earlier studies. The GPS dataset shows that the average recession rate is 10.26 ± 0.05 m/year. In order to determine the possible causes of decreased retreating rate, a relationship between debris thickness and melt rate was also established by using ablation stakes. The present study concludes that remote sensing method is suitable for large area and long term study, while kinematic GPS is more appropriate for the annual monitoring of retreating rate of glacier snout. The present study also emphasizes on mapping of all the tributary glaciers in order to assess the overall changes in the main glacier system and its health.

Keywords: Chaturangi glacier, Gangotri glacier, glacier snout, kinematic global positioning system, retreat rate

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1332 C-eXpress: A Web-Based Analysis Platform for Comparative Functional Genomics and Proteomics in Human Cancer Cell Line, NCI-60 as an Example

Authors: Chi-Ching Lee, Po-Jung Huang, Kuo-Yang Huang, Petrus Tang

Abstract:

Background: Recent advances in high-throughput research technologies such as new-generation sequencing and multi-dimensional liquid chromatography makes it possible to dissect the complete transcriptome and proteome in a single run for the first time. However, it is almost impossible for many laboratories to handle and analysis these “BIG” data without the support from a bioinformatics team. We aimed to provide a web-based analysis platform for users with only limited knowledge on bio-computing to study the functional genomics and proteomics. Method: We use NCI-60 as an example dataset to demonstrate the power of the web-based analysis platform and data delivering system: C-eXpress takes a simple text file that contain the standard NCBI gene or protein ID and expression levels (rpkm or fold) as input file to generate a distribution map of gene/protein expression levels in a heatmap diagram organized by color gradients. The diagram is hyper-linked to a dynamic html table that allows the users to filter the datasets based on various gene features. A dynamic summary chart is generated automatically after each filtering process. Results: We implemented an integrated database that contain pre-defined annotations such as gene/protein properties (ID, name, length, MW, pI); pathways based on KEGG and GO biological process; subcellular localization based on GO cellular component; functional classification based on GO molecular function, kinase, peptidase and transporter. Multiple ways of sorting of column and rows is also provided for comparative analysis and visualization of multiple samples.

Keywords: cancer, visualization, database, functional annotation

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1331 Second-Generation Mozambican Migrant Youth’s Identity and Sense of Belonging in South Africa: The Case of Rural Bushbuckridge, Mpumalanga

Authors: Betty Chiyangwa

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This paper explores the complexities surrounding second-generation Mozambican migrant youth’s identity and sense of belonging in post-apartheid South Africa, Bushbuckridge. Established in 1884, Bushbuckridge is one of the earliest districts to accommodate first-generation Mozambicans who migrated to South Africa in the 1970s. This is a single case study informed by data from 24 semi-structured interviews and narratives with migrant youth (18-34 years) born and raised in South Africa to Mozambican parent(s) living in Bushbuckridge. Drawing from Sen’s Capability and Crenshaw’s Intersectionality approaches, this paper contributes to the existing body of knowledge on South to South migration by demonstrating how the role of participants’ identity status influences their agency and capability. The subject of youth migrants is often under-researched in the context of migration in South African thus, their opinions and views have often been marginalized in sociology. Through exploring participants’ experiences, this paper reveals that lack of identity status was described to be a huge hindrance to participants to identify as South Africans and they explained that is a constant distortion of their sense of belonging. Un-documentation status restricts participants and threatens their mobility and hinders their agency to access human rights and perpetuates social inequalities as well as hampering future aspirations. This paper concludes there is a strong association between identity status and levels of social integration. The development of a multi-layered comprehensive model in enhancing participants’ identity is recommended. This model encourages a collaborative effort from multiple stakeholders in enhancing and harnessing migrant youth capabilities in host societies.

Keywords: migrant youth, mozambique, second-generation, south africa

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1330 Long-Term Exposure, Health Risk, and Loss of Quality-Adjusted Life Expectancy Assessments for Vinyl Chloride Monomer Workers

Authors: Tzu-Ting Hu, Jung-Der Wang, Ming-Yeng Lin, Jin-Luh Chen, Perng-Jy Tsai

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The vinyl chloride monomer (VCM) has been classified as group 1 (human) carcinogen by the IARC. Workers exposed to VCM are known associated with the development of the liver cancer and hence might cause economical and health losses. Particularly, for those work for the petrochemical industry have been seriously concerned in the environmental and occupational health field. Considering assessing workers’ health risks and their resultant economical and health losses requires the establishment of long-term VCM exposure data for any similar exposure group (SEG) of interest, the development of suitable technologies has become an urgent and important issue. In the present study, VCM exposures for petrochemical industry workers were determined firstly based on the database of the 'Workplace Environmental Monitoring Information Systems (WEMIS)' provided by Taiwan OSHA. Considering the existence of miss data, the reconstruction of historical exposure techniques were then used for completing the long-term exposure data for SEGs with routine operations. For SEGs with non-routine operations, exposure modeling techniques, together with their time/activity records, were adopted for determining their long-term exposure concentrations. The Bayesian decision analysis (BDA) was adopted for conducting exposure and health risk assessments for any given SEG in the petrochemical industry. The resultant excessive cancer risk was then used to determine the corresponding loss of quality-adjusted life expectancy (QALE). Results show that low average concentrations can be found for SEGs with routine operations (e.g., VCM rectification 0.0973 ppm, polymerization 0.306 ppm, reaction tank 0.33 ppm, VCM recovery 1.4 ppm, control room 0.14 ppm, VCM storage tanks 0.095 ppm and wastewater treatment 0.390 ppm), and the above values were much lower than that of the permissible exposure limit (PEL; 3 ppm) of VCM promulgated in Taiwan. For non-routine workers, though their high exposure concentrations, their low exposure time and frequencies result in low corresponding health risks. Through the consideration of exposure assessment results, health risk assessment results, and QALE results simultaneously, it is concluded that the proposed method was useful for prioritizing SEGs for conducting exposure abatement measurements. Particularly, the obtained QALE results further indicate the importance of reducing workers’ VCM exposures, though their exposures were low as in comparison with the PEL and the acceptable health risk.

Keywords: exposure assessment, health risk assessment, petrochemical industry, quality-adjusted life years, vinyl chloride monomer

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1329 Library Screening and Evaluation of Mycobacterium tuberculosis Ketol-Acid Reductoisomerase Inhibitors

Authors: Vagolu S. Krishna, Shan Zheng, Estharla M. Rekha, Luke W. Guddat, Dharmarajan Sriram

Abstract:

Tuberculosis (TB) remains a major threat to human health. This due to the fact that current drug treatments are less than optimal as well as the rising occurrence of multi drug-resistant and extensively drug-resistant strains of the etiological agent, Mycobacterium tuberculosis (Mt). Given the wide-spread significance of this disease, we have undertaken a design and evaluation program to discover new anti-TB drug leads. Here, our attention is focused on ketol-acid reductoisomerase (KARI), the second enzyme in the branched-chain amino acid biosynthesis pathway. Importantly, this enzyme is present in bacteria but not in humans, making it an attractive proposition for drug discovery. In the present work, we used high-throughput virtual screening to identify seventeen potential inhibitors of KARI using the Birla Institute of Technology and Science in-house database. Compounds were selected based on high docking scores, which were assigned as the result of favourable interactions between the compound and the active site of KARI. The Ki values for two leads, compounds 14 and 16 are 3.71 and 3.06 µM, respectively for Mt KARI. To assess the mode of binding, 100 ns molecular dynamics simulations for these two compounds in association with Mt KARI were performed and showed that the complex was stable with an average RMSD of less than 2.5 Å for all atoms. Compound 16 showed an MIC of 2.06 ± 0.91 µM and a 1.9 fold logarithmic reduction in the growth of Mt in an infected macrophage model. The two compounds exhibited low toxicity against murine macrophage RAW 264.7 cell lines. Thus, both compounds are promising candidates for development as an anti-TB drug leads.

Keywords: ketol-acid reductoisomerase, macrophage, molecular docking and dynamics, tuberculosis

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1328 GIS Model for Sanitary Landfill Site Selection Based on Geotechnical Parameters

Authors: Hecson Christian, Joel Macwan

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Landfill site selection in an urban area is a critical issue in the planning process. With the growth of the urbanization, it has a mammoth impact on the economy, ecology, and environmental health of the region. Outsized amount of wastes are produced and the problem gets soared every day. Hence, selection of ideal site for sanitary landfill is a challenge for urban planners and solid waste managers. Disposal site is a function of many parameters. Among all, Geotechnical parameters are very vital as the same is related to surrounding open land. Moreover, the accessible safe and acceptable land is also scarce. Therefore, in this paper geotechnical parameters are used to develop a GIS model to identify an ideal location for landfill purpose. Metropolitan city of Surat is highly populated and fastest growing urban area in India. The research objectives are to conduct field experiments to collect data and to transfer the facts in GIS platform to evolve a model, to find ideal location. Planners’ preferences were obtained to use analytical hierarchical process (AHP) to find weights of each parameter. Integration of GIS and Multi-Criteria Decision Analysis (MCDA) techniques are applied to improve decision-making. It augments an environment for transformation and combination of geographical data and planners’ preferences. GIS performs deterministic overlay and buffer operations. MCDA methods evaluate alternatives based on the decision makers’ subjective values and priorities. Research results have shown many alternative locations. Economic analysis of selected site from actual operations point of view is not included in this research.

Keywords: GIS, AHP, MCDA, Geo-technical

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1327 Finite Element Analysis of Resonance Frequency Shift of Laminated Composite Beam

Authors: Cheng Yang Kwa, Yoke Rung Wong

Abstract:

Laminated composite materials are widely employed in automotive, aerospace, and other industries. These materials provide distinct benefits due to their high specific strength, high specific modulus, and ability to be customized for a specific function. However, delamination of laminated composite materials is one of the main defects which can occur during manufacturing, regular operations, or maintenance. Delamination can bring about considerable internal damage, unobservable by visual check, that causes significant loss in strength and stability, leading to composite structure catastrophic failure. Structural health monitoring (SHM) is known to be the automated method for monitoring and evaluating the condition of a monitored object. There are several ways to conduct SHM in aerospace. One of the effective methods is to monitor the natural frequency shift of structure due to the presence of defect. This study investigated the mechanical resonance frequency shift of a multi-layer composite cantilever beam due to interlaminar delamination. ANSYS Workbench® was used to create a 4-plies laminated composite cantilever finite element model with [90/0]s fiber setting. Epoxy Carbon UD (230GPA) Prepreg was chosen, and the thickness was 2.5mm for each ply. The natural frequencies of the finite element model with various degree of delamination were simulated based on modal analysis and then validated by using literature. It was shown that the model without delamination had natural frequency of 40.412 Hz, which was 1.55% different from the calculated result (41.050 Hz). Thereafter, the various degree of delamination was mimicked by changing the frictional conditions at the middle ply-to-ply interface. The results suggested that delamination in the laminated composite cantilever induced a change in its stiffness which alters its mechanical resonance frequency.

Keywords: structural health monitoring, NDT, cantilever, laminate

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1326 Application of Space Technology at Cadestral Level and Land Resources Management with Special Reference to Bhoomi Sena Project of Uttar Pradesh, India

Authors: A. K. Srivastava, Sandeep K. Singh, A. K. Kulshetra

Abstract:

Agriculture is the backbone of developing countries of Asian sub-continent like India. Uttar Pradesh is the most populous and fifth largest State of India. Total population of the state is 19.95 crore, which is 16.49% of the country that is more than that of many other countries of the world. Uttar Pradesh occupies only 7.36% of the total area of India. It is a well-established fact that agriculture has virtually been the lifeline of the State’s economy in the past for long and its predominance is likely to continue for a fairly long time in future. The total geographical area of the state is 242.01 lakh hectares, out of which 120.44 lakh hectares is facing various land degradation problems. This needs to be put under various conservation and reclamation measures at much faster pace in order to enhance agriculture productivity in the State. Keeping in view the above scenario Department of Agriculture, Government of Uttar Pradesh has formulated a multi-purpose project namely Bhoomi Sena for the entire state. The main objective of the project is to improve the land degradation using low cost technology available at village level. The total outlay of the project is Rs. 39643.75 Lakhs for an area of about 226000 ha included in the 12th Five Year Plan (2012-13 to 2016-17). It is expected that the total man days would be 310.60 lakh. An attempt has been made to use the space technology like remote sensing, geographical information system, at cadastral level for the overall management of agriculture engineering work which is required for the treatment of degradation of the land. After integration of thematic maps a proposed action plan map has been prepared for the future work.

Keywords: GPS, GIS, remote sensing, topographic survey, cadestral mapping

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1325 Understanding Cyber Kill Chains: Optimal Allocation of Monitoring Resources Using Cooperative Game Theory

Authors: Roy. H. A. Lindelauf

Abstract:

Cyberattacks are complex processes consisting of multiple interwoven tasks conducted by a set of agents. Interdictions and defenses against such attacks often rely on cyber kill chain (CKC) models. A CKC is a framework that tries to capture the actions taken by a cyber attacker. There exists a growing body of literature on CKCs. Most of this work either a) describes the CKC with respect to one or more specific cyberattacks or b) discusses the tools and technologies used by the attacker at each stage of the CKC. Defenders, facing scarce resources, have to decide where to allocate their resources given the CKC and partial knowledge on the tools and techniques attackers use. In this presentation CKCs are analyzed through the lens of covert projects, i.e., interrelated tasks that have to be conducted by agents (human and/or computer) with the aim of going undetected. Various aspects of covert project models have been studied abundantly in the operations research and game theory domain, think of resource-limited interdiction actions that maximally delay completion times of a weapons project for instance. This presentation has investigated both cooperative and non-cooperative game theoretic covert project models and elucidated their relation to CKC modelling. To view a CKC as a covert project each step in the CKC is broken down into tasks and there are players of which each one is capable of executing a subset of the tasks. Additionally, task inter-dependencies are represented by a schedule. Using multi-glove cooperative games it is shown how a defender can optimize the allocation of his scarce resources (what, where and how to monitor) against an attacker scheduling a CKC. This study presents and compares several cooperative game theoretic solution concepts as metrics for assigning resources to the monitoring of agents.

Keywords: cyber defense, cyber kill chain, game theory, information warfare techniques

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1324 The Effect of Sea Buckthorn (Hippophae rhamnoides L.) Berries on Some Quality Characteristics of Cooked Pork Sausages

Authors: Anna M. Salejda, Urszula Tril, Grażyna Krasnowska

Abstract:

The aim of this study was to analyze selected quality characteristics of cooked pork sausages manufactured with the addition of Sea buckthorn (Hippophae rhamnoides L.) berries preparations. Stuffings of model sausages consisted of pork, backfat, water and additives such a curing salt and sodium isoascorbate. Functional additives used in production process were two preparations obtained from dried Sea buckthorn berries in form of powder and brew. Powder of dried berries was added in amount of 1 and 3 g, while water infusion as a replacement of 50 and 100% ice water included in meat products formula. Control samples were produced without functional additives. Experimental stuffings were heat treated in water bath and stored for 4 weeks under cooled conditions (4±1ºC). Physical parameters of colour, texture profile and technological parameters as acidity, weight losses and water activity were estimated. The effect of Sea buckthorn berries preparations on lipid oxidation during storage of final products was determine by TBARS method. Studies have shown that addition of Sea buckthorn preparations to meat-fatty batters significant (P≤0.05) reduced the pH values of sausages samples after thermal treatment. Moreover, the addition of berries powder caused significant differences (P ≤ 0.05) in weight losses after cooking process. Analysis of results of texture profile analysis indicated, that utilization of infusion prepared from Sea buckthorn dried berries caused increase of springiness, gumminess and chewiness of final meat products. At the same time, the highest amount of Sea buckthorn berries powder in recipe caused the decrease of all measured texture parameters. Utilization of experimental preparations significantly decreased (P≤0.05) lightness (L* parameter of color) of meat products. Simultaneously, introduction of 1 and 3 grams of Sea buckthorn berries powder to meat-fatty batter increased redness (a* parameter) of samples under investigation. Higher content of substances reacting with thiobarbituric acid was observed in meat products produced without functional additives. It was observed that powder of Sea buckthorn berries added to meat-fatty batters caused higher protection against lipid oxidation in cooked sausages.

Keywords: sea buckthorn, meat products, texture, color parameters, lipid oxidation

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1323 The Effect of Applying the Electronic Supply System on the Performance of the Supply Chain in Health Organizations

Authors: Sameh S. Namnqani, Yaqoob Y. Abobakar, Ahmed M. Alsewehri, Khaled M. AlQethami

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The main objective of this research is to know the impact of the application of the electronic supply system on the performance of the supply department of health organizations. To reach this goal, the study adopted independent variables to measure the dependent variable (performance of the supply department), namely: integration with suppliers, integration with intermediaries and distributors and knowledge of supply size, inventory, and demand. The study used the descriptive method and was aided by the questionnaire tool that was distributed to a sample of workers in the Supply Chain Management Department of King Abdullah Medical City. After the statistical analysis, the results showed that: The 70 sample members strongly agree with the (electronic integration with suppliers) axis with a p-value of 0.001, especially with regard to the following: Opening formal and informal communication channels between management and suppliers (Mean 4.59) and exchanging information with suppliers with transparency and clarity (Mean 4.50). It also clarified that the sample members agree on the axis of (electronic integration with brokers and distributors) with a p-value of 0.001 and this is represented in the following elements: Exchange of information between management, brokers and distributors with transparency, clarity (Mean 4.18) , and finding a close cooperation relationship between management, brokers and distributors (Mean 4.13). The results also indicated that the respondents agreed to some extent on the axis (knowledge of the size of supply, stock, and demand) with a p-value of 0.001. It also indicated that the respondents strongly agree with the existence of a relationship between electronic procurement and (the performance of the procurement department in health organizations) with a p-value of 0.001, which is represented in the following: transparency and clarity in dealing with suppliers and intermediaries to prevent fraud and manipulation (Mean 4.50) and reduce the costs of supplying the needs of the health organization (Mean 4.50). From the results, the study recommended several recommendations, the most important of which are: that health organizations work to increase the level of information sharing between them and suppliers in order to achieve the implementation of electronic procurement in the supply management of health organizations. Attention to using electronic data interchange methods and using modern programs that make supply management able to exchange information with brokers and distributors to find out the volume of supply, inventory, and demand. To know the volume of supply, inventory, and demand, it recommended the application of scientific methods of supply for storage. Take advantage of information technology, for example, electronic data exchange techniques and documents, where it can help in contact with suppliers, brokers, and distributors, and know the volume of supply, inventory, and demand, which contributes to improving the performance of the supply department in health organizations.

Keywords: healthcare supply chain, performance, electronic system, ERP

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1322 From the Perspective of a Veterinarian: The Future of Plant Raw Materials Used in the Feeding of Farm Animals

Authors: Ertuğrul Yılmaz

Abstract:

One of the most important occupational groups in the food chain from farm to fork is a veterinary medicine. This occupational group, which has important duties in the prevention of many zoonotic diseases and in public health, takes place in many critical control points from soil to our kitchen. It has important duties from mycotoxins transmitted from the soil to slaughterhouses or milk processing facilities. Starting from the soil, which constitutes 70% of mycotoxin contamination, up to the TMR made from raw materials obtained from the soil, there are all critical control points from feeding to slaughterhouses and milk production enterprises. We can take the precaution of mycotoxins such as Aflatoxin B1, Ochratoxin, Zearalenone, and Fumonisin, which we encounter on farms while in the field. It has been reported that aflatoxin B1 is a casenerogen and passes into milk in studies. It is likely that many mycotoxins pose significant threats to public health and will turn out to be even more dangerous over time. Even raw material storage and TMR preparation are very important for public health. The danger of fumonisin accumulating in the liver will be understood over time. Zoonotic diseases are also explained with examples. In this study, how important veterinarians are in terms of public health is explained with examples. In the two-year mycotoxin screenings, fumonisin mycotoxin was found to be very high in corn and corn by-products, and it was determined that it accumulated in the liver for a long time and remained cornic in animals. It has been determined that mycotoxins are present in all livestock feeds, poultry feeds, and raw materials, not alone, but in double-triple form. Starting from the end, mycotoxin scans should be carried out from feed to raw materials and from raw materials to soil. In this way, we prevent the transmission of mycotoxins to animals and from animals to humans. Liver protectors such as toxin binders, beta-glucan, mannan oligosaccharides, activated carbon, prebiotics, and silymarin were used in certain proportions in the total mixed ratio, and positive results were obtained. Humidity and temperature controls of raw material silos were made at certain intervals. Necropsy was performed on animals that died as a result of mycotoxicosis, and macroscopic photographs were taken of the organs. We have determined that the mycotoxin screening in experimental animals and the feeds made without detecting the presence and amount of bacterial factors affect the results of the project to be made. For this, a series of precautionary plans have been created, starting from the production processes.

Keywords: mycotoxins, feed safety, processes, public health

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1321 Service Life Study of Polymers Used in Renovation of Heritage Buildings and Other Structures

Authors: Parastou Kharazmi

Abstract:

Degradation of building materials particularly pipelines causes environmental damage during renovation or replacement and is a time consuming and costly process. Rehabilitation by polymer composites is a solution for renovation of degraded pipeline in heritage buildings and other structures which are less costly, faster and causes less damage to the environment; however, it is still not clear for how long these materials can perform as expected in the field and working condition. To study their service life, two types of composites based on Epoxy and Polyester resins have been evaluated by accelerated exposure and field exposure. The primary degradation agent used in accelerated exposure has been cycling temperature with half of the tests performed in presence of water. Thin films of materials used in accelerated testing were prepared in laboratory by using the same amount of material as well as technique of multi-layers application used in majority of the field installations. Extreme intensity levels of degradation agents have been used only to evaluate materials properties and as also mentioned in ISO 15686, are not directly correlated with degradation mechanisms that would be experienced in service. In the field exposure study, the focus has been to identify possible failure modes, causes, and effects. In field exposure, it has been observed that there are other degradation agents present which can be investigated further such as presence of contaminants and rust before application which prevents formation of a uniform layer of polymer or incompatibility between dissimilar materials. This part of the study also highlighted the importance of application’s quality of the materials in the field for providing the expected performance and service life. Results from extended accelerated exposure and field exposure can help in choosing inspection techniques, establishing the primary degradation agents and can be used for ageing exposure programs with clarifying relationship between different exposure periods and sites.

Keywords: building, renovation, service life, pipelines

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1320 The Effects of Cost-Sharing Contracts on the Costs and Operations of E-Commerce Supply Chains

Authors: Sahani Rathnasiri, Pritee Ray, Sardar M. N. Isalm, Carlos A. Vega-Mejia

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This study develops a cooperative game theory-based cost-sharing contract model for a business to consumer (B2C) e-commerce supply chain to minimize the overall supply chain costs and the individual costs within an information asymmetry scenario. The objective of this study is to address the issues of strategic interactions among the key players of the e-commerce supply chain operation, which impedes the optimal operational outcomes. Game theory has been included in the field of supply chain management to resolve strategic decision-making issues; however, most of the studies are limited only to two-echelons of the supply chains. Multi-echelon supply chain optimizations based on game-theoretic models are less explored in the previous literature. This study adopts a cooperative game model to focus on the common payoff of operations and addresses the issues of information asymmetry and coordination of a three-echelon e-commerce supply chain. The cost-sharing contract model integrates operational features such as production, inventory management and distribution with the contract related constraints. The outcomes of the model highlight the importance of maintaining lower operational costs by all players to obtain benefits from the cost-sharing contract. Further, the cost-sharing contract ensures true cost revelation, and hence eliminates the information asymmetry issues among the players. Comparing the results of the contract model with the de-centralized e-commerce supply chain operation further emphasizes that the cost-sharing contract derives Pareto-improved outcomes and minimizes the costs of overall e-commerce supply chain operation.

Keywords: cooperative game theory, cost-sharing contract, e-commerce supply chain, information asymmetry

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1319 A Retrospective Analysis of the Use of Vancomycin by Continous Infusion in the Critical Care Setting, Edinburgh

Authors: Sonia Nemakallu, Pota Kalima

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Introduction: Vancomycin is a glycopeptide antibiotic, commonly used to treat gram-positive bacteraemia. It has been increasingly used in the critical care setting due to an increased awareness of resistant gram positive organisms. In Edinburgh both tertiary hospitals, The Western General Hospital and The Royal Infirmary Of Edinburgh, commonly use Vancomycin for a variety of infections. Administration of Vancomyicn in these hospitals is by continuous infusion as it is thought to maintain serum concentrations easier and is a simpler monitoring system. Purpose: The aim of the study was to evaluate the efficacy and reliability in which Vancomycin is used. Material and Methods: A retrospective study, over a 6-month period from January 2014 to June 2014. 91 admissions were included, all received Vancomycin by continuous infusion during their critical care stay. Results: The number one use for Vancomycin in critical care settings was in the treatment of ventilator or hospital-acquired pneumonia. Only 3% of population had MRSA. 49% of admissions were not therapeutic on day 1 post loading dose. Of those that were therapeutic on day 1 post loading dose, 39% of admissions showed no organisms in any cultures taken, 42% had organisms sensitive to Vancomycin and 19% had only organisms resistant to Vancomycin. Those that were not therapeutic on day 1 showed similar organism sensitivities. 15% of admissions had Vancomycin levels above 25 (levels should be maintained between 15-25). An increase in creatinine was proportionally seen with an increase in Vancomycin levels. Conclusion: Within Edinburgh Vancomycin is being overused in the critical care setting with only 3% of the population having highly resistant organisms. Continuous infusion have not ruled out the complexity of maintaining therapeutic levels, with a large proportion of patients not being therapeutic on day 1. Further research is also required into the nephrotoxic effects of using higher doses of Vancomycin.

Keywords: Vancomycin, continuous infusion, multi resistant organisms, sepsis, renal toxicity

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1318 ChaQra: A Cellular Unit of the Indian Quantum Network

Authors: Shashank Gupta, Iteash Agarwal, Vijayalaxmi Mogiligidda, Rajesh Kumar Krishnan, Sruthi Chennuri, Deepika Aggarwal, Anwesha Hoodati, Sheroy Cooper, Ranjan, Mohammad Bilal Sheik, Bhavya K. M., Manasa Hegde, M. Naveen Krishna, Amit Kumar Chauhan, Mallikarjun Korrapati, Sumit Singh, J. B. Singh, Sunil Sud, Sunil Gupta, Sidhartha Pant, Sankar, Neha Agrawal, Ashish Ranjan, Piyush Mohapatra, Roopak T., Arsh Ahmad, Nanjunda M., Dilip Singh

Abstract:

Major research interests on quantum key distribution (QKD) are primarily focussed on increasing 1. point-to-point transmission distance (1000 Km), 2. secure key rate (Mbps), 3. security of quantum layer (device-independence). It is great to push the boundaries on these fronts, but these isolated approaches are neither scalable nor cost-effective due to the requirements of specialised hardware and different infrastructure. Current and future QKD network requires addressing different sets of challenges apart from distance, key rate, and quantum security. In this regard, we present ChaQra -a sub-quantum network with core features as 1) Crypto agility (integration in the already deployed telecommunication fibres), 2) Software defined networking (SDN paradigm for routing different nodes), 3) reliability (addressing denial-of-service with hybrid quantum safe cryptography), 4) upgradability (modules upgradation based on scientific and technological advancements), 5) Beyond QKD (using QKD network for distributed computing, multi-party computation etc). Our results demonstrate a clear path to create and accelerate quantum secure Indian subcontinent under the national quantum mission.

Keywords: quantum network, quantum key distribution, quantum security, quantum information

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1317 Vibrational Spectra and Nonlinear Optical Investigations of a Chalcone Derivative (2e)-3-[4-(Methylsulfanyl) Phenyl]-1-(3-Bromophenyl) Prop-2-En-1-One

Authors: Amit Kumar, Archana Gupta, Poonam Tandon, E. D. D’Silva

Abstract:

Nonlinear optical (NLO) materials are the key materials for the fast processing of information and optical data storage applications. In the last decade, materials showing nonlinear optical properties have been the object of increasing attention by both experimental and computational points of view. Chalcones are one of the most important classes of cross conjugated NLO chromophores that are reported to exhibit good SHG efficiency, ultra fast optical nonlinearities and are easily crystallizable. The basic structure of chalcones is based on the π-conjugated system in which two aromatic rings are connected by a three-carbon α, β-unsaturated carbonyl system. Due to the overlap of π orbitals, delocalization of electronic charge distribution leads to a high mobility of the electron density. On a molecular scale, the extent of charge transfer across the NLO chromophore determines the level of SHG output. Hence, the functionalization of both ends of the π-bond system with appropriate electron donor and acceptor groups can enhance the asymmetric electronic distribution in either or both ground and excited states, leading to an increased optical nonlinearity. In this research, the experimental and theoretical study on the structure and vibrations of (2E)-3-[4-(methylsulfanyl) phenyl]-1-(3-bromophenyl) prop-2-en-1-one (3Br4MSP) is presented. The FT-IR and FT-Raman spectra of the NLO material in the solid phase have been recorded. Density functional theory (DFT) calculations at B3LYP with 6-311++G(d,p) basis set were carried out to study the equilibrium geometry, vibrational wavenumbers, infrared absorbance and Raman scattering activities. The interpretation of vibrational features (normal mode assignments, for instance) has an invaluable aid from DFT calculations that provide a quantum-mechanical description of the electronic energies and forces involved. Perturbation theory allows one to obtain the vibrational normal modes by estimating the derivatives of the Kohn−Sham energy with respect to atomic displacements. The molecular hyperpolarizability β plays a chief role in the NLO properties, and a systematical study on β has been carried out. Furthermore, the first order hyperpolarizability (β) and the related properties such as dipole moment (μ) and polarizability (α) of the title molecule are evaluated by Finite Field (FF) approach. The electronic α and β of the studied molecule are 41.907×10-24 and 79.035×10-24 e.s.u. respectively, indicating that 3Br4MSP can be used as a good nonlinear optical material.

Keywords: DFT, MEP, NLO, vibrational spectra

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