Search results for: root endophytes
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1159

Search results for: root endophytes

559 Molecular Modeling of 17-Picolyl and 17-Picolinylidene Androstane Derivatives with Anticancer Activity

Authors: Sanja Podunavac-Kuzmanović, Strahinja Kovačević, Lidija Jevrić, Evgenija Djurendić, Jovana Ajduković

Abstract:

In the present study, the molecular modeling of a series of 24 17-picolyl and 17-picolinylidene androstane derivatives whit significant anticancer activity was carried out. Modelling of studied compounds was performed by CS ChemBioDraw Ultra v12.0 program for drawing 2D molecular structures and CS ChemBio3D Ultra v12.0 for 3D molecular modelling. The obtained 3D structures were subjected to energy minimization using molecular mechanics force field method (MM2). The cutoff for structure optimization was set at a gradient of 0.1 kcal/Åmol. Full geometry optimization was done by the Austin Model 1 (AM1) until the root mean square (RMS) gradient reached a value smaller than 0.0001 kcal/Åmol using Molecular Orbital Package (MOPAC) program. The obtained physicochemical, lipophilicity and topological descriptors were used for analysis of molecular similarities and dissimilarities applying suitable chemometric methods (principal component analysis and cluster analysis). These results are the part of the project No. 114-451-347/2015-02, financially supported by the Provincial Secretariat for Science and Technological Development of Vojvodina and CMST COST Action CM1306.

Keywords: androstane derivatives, anticancer activity, chemometrics, molecular descriptors

Procedia PDF Downloads 340
558 Regionalization of IDF Curves with L-Moments for Storm Events

Authors: Noratiqah Mohd Ariff, Abdul Aziz Jemain, Mohd Aftar Abu Bakar

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The construction of Intensity-Duration-Frequency (IDF) curves is one of the most common and useful tools in order to design hydraulic structures and to provide a mathematical relationship between rainfall characteristics. IDF curves, especially those in Peninsular Malaysia, are often built using moving windows of rainfalls. However, these windows do not represent the actual rainfall events since the duration of rainfalls is usually prefixed. Hence, instead of using moving windows, this study aims to find regionalized distributions for IDF curves of extreme rainfalls based on storm events. Homogeneity test is performed on annual maximum of storm intensities to identify homogeneous regions of storms in Peninsular Malaysia. The L-moment method is then used to regionalized Generalized Extreme Value (GEV) distribution of these annual maximums and subsequently. IDF curves are constructed using the regional distributions. The differences between the IDF curves obtained and IDF curves found using at-site GEV distributions are observed through the computation of the coefficient of variation of root mean square error, mean percentage difference and the coefficient of determination. The small differences implied that the construction of IDF curves could be simplified by finding a general probability distribution of each region. This will also help in constructing IDF curves for sites with no rainfall station.

Keywords: IDF curves, L-moments, regionalization, storm events

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557 Optical Signal-To-Noise Ratio Monitoring Based on Delay Tap Sampling Using Artificial Neural Network

Authors: Feng Wang, Shencheng Ni, Shuying Han, Shanhong You

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With the development of optical communication, optical performance monitoring (OPM) has received more and more attentions. Since optical signal-to-noise ratio (OSNR) is directly related to bit error rate (BER), it is one of the important parameters in optical networks. Recently, artificial neural network (ANN) has been greatly developed. ANN has strong learning and generalization ability. In this paper, a method of OSNR monitoring based on delay-tap sampling (DTS) and ANN has been proposed. DTS technique is used to extract the eigenvalues of the signal. Then, the eigenvalues are input into the ANN to realize the OSNR monitoring. The experiments of 10 Gb/s non-return-to-zero (NRZ) on–off keying (OOK), 20 Gb/s pulse amplitude modulation (PAM4) and 20 Gb/s return-to-zero (RZ) differential phase-shift keying (DPSK) systems are demonstrated for the OSNR monitoring based on the proposed method. The experimental results show that the range of OSNR monitoring is from 15 to 30 dB and the root-mean-square errors (RMSEs) for 10 Gb/s NRZ-OOK, 20 Gb/s PAM4 and 20 Gb/s RZ-DPSK systems are 0.36 dB, 0.45 dB and 0.48 dB respectively. The impact of chromatic dispersion (CD) on the accuracy of OSNR monitoring is also investigated in the three experimental systems mentioned above.

Keywords: artificial neural network (ANN), chromatic dispersion (CD), delay-tap sampling (DTS), optical signal-to-noise ratio (OSNR)

Procedia PDF Downloads 96
556 Ethical Leadership: A Theological and Ethical Alternative to the Culture of Greed in South African Government

Authors: Mookgo Solomon Kgatle

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Introductory Statement: The effect of corruption in South Africa has seriously constrained development of the national economy and has significantly inhibited good governance in the country. The significance of this paper is a demonstration that Corruption in a South African government is greatly influenced by the culture of greed by leaders in government. Many leaders in government are not satisfied with what they receive on monthly basis in the form of salaries and allowances. Thus, the quest to accumulate, as many material possessions by cabinet ministers and public servants is what is crippling the annual budget and disadvantaging the poor masses of our people including women, children and the elderly. Basic Methodology: In order to deal with this dilemma, this paper proposes ethical leadership as a theological and ethical alternative and antidote to the culture of greed in government. Research Findings: Ethical leadership is proposed because unlike the culture of greed, it is a leadership that is based on respect for ethical principles and standards and for the dignity and privileges of others. Ethical leadership is synonymous with principles like trust, morality, consideration, equality, and justice. Conclusion: The conclusion is that ethical leadership is one of the solutions that can assist the South African government to deal with the root causes of corruption, that is, the culture of greed.

Keywords: ethical leadership, theological ethics, culture of greed, corruption, governance

Procedia PDF Downloads 169
555 Heuristic Classification of Hydrophone Recordings

Authors: Daniel M. Wolff, Patricia Gray, Rafael de la Parra Venegas

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An unsupervised machine listening system is constructed and applied to a dataset of 17,195 30-second marine hydrophone recordings. The system is then heuristically supplemented with anecdotal listening, contextual recording information, and supervised learning techniques to reduce the number of false positives. Features for classification are assembled by extracting the following data from each of the audio files: the spectral centroid, root-mean-squared values for each frequency band of a 10-octave filter bank, and mel-frequency cepstral coefficients in 5-second frames. In this way both time- and frequency-domain information are contained in the features to be passed to a clustering algorithm. Classification is performed using the k-means algorithm and then a k-nearest neighbors search. Different values of k are experimented with, in addition to different combinations of the available feature sets. Hypothesized class labels are 'primarily anthrophony' and 'primarily biophony', where the best class result conforming to the former label has 104 members after heuristic pruning. This demonstrates how a large audio dataset has been made more tractable with machine learning techniques, forming the foundation of a framework designed to acoustically monitor and gauge biological and anthropogenic activity in a marine environment.

Keywords: anthrophony, hydrophone, k-means, machine learning

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554 Vegetation Index-Deduced Crop Coefficient of Wheat (Triticum aestivum) Using Remote Sensing: Case Study on Four Basins of Golestan Province, Iran

Authors: Hoda Zolfagharnejad, Behnam Kamkar, Omid Abdi

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Crop coefficient (Kc) is an important factor contributing to estimation of evapotranspiration, and is also used to determine the irrigation schedule. This study investigated and determined the monthly Kc of winter wheat (Triticum aestivum L.) using five vegetation indices (VIs): Normalized Difference Vegetation Index (NDVI), Difference Vegetation Index (DVI), Soil Adjusted Vegetation Index (SAVI), Infrared Percentage Vegetation Index (IPVI), and Ratio Vegetation Index (RVI) of four basins in Golestan province, Iran. 14 Landsat-8 images according to crop growth stage were used to estimate monthly Kc of wheat. VIs were calculated based on infrared and near infrared bands of Landsat 8 images using Geographical Information System (GIS) software. The best VIs were chosen after establishing a regression relationship among these VIs with FAO Kc and Kc that was modified for the study area by the previous research based on R² and Root Mean Square Error (RMSE). The result showed that local modified SAVI with R²= 0.767 and RMSE= 0.174 was the best index to produce monthly wheat Kc maps.

Keywords: crop coefficient, remote sensing, vegetation indices, wheat

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553 Single Imputation for Audiograms

Authors: Sarah Beaver, Renee Bryce

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Audiograms detect hearing impairment, but missing values pose problems. This work explores imputations in an attempt to improve accuracy. This work implements Linear Regression, Lasso, Linear Support Vector Regression, Bayesian Ridge, K Nearest Neighbors (KNN), and Random Forest machine learning techniques to impute audiogram frequencies ranging from 125Hz to 8000Hz. The data contains patients who had or were candidates for cochlear implants. Accuracy is compared across two different Nested Cross-Validation k values. Over 4000 audiograms were used from 800 unique patients. Additionally, training on data combines and compares left and right ear audiograms versus single ear side audiograms. The accuracy achieved using Root Mean Square Error (RMSE) values for the best models for Random Forest ranges from 4.74 to 6.37. The R\textsuperscript{2} values for the best models for Random Forest ranges from .91 to .96. The accuracy achieved using RMSE values for the best models for KNN ranges from 5.00 to 7.72. The R\textsuperscript{2} values for the best models for KNN ranges from .89 to .95. The best imputation models received R\textsuperscript{2} between .89 to .96 and RMSE values less than 8dB. We also show that the accuracy of classification predictive models performed better with our best imputation models versus constant imputations by a two percent increase.

Keywords: machine learning, audiograms, data imputations, single imputations

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552 Salt Stress Affects Growth, Nutrition and Anatomy of Stipa lagascae: A Psammophile Grass in Southern Tunisia

Authors: Raoudha Abdellaoui, Faycal Boughalleb, Zohra Chebil

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In arid and semi-arid regions, salinity represents a major constraint towards plants’ growth. Stipa lagascae, a psammophile grass, is a promised species since its economic and ecological interests. Our study aims to explore the effects of different salt concentrations (0; 100; 200; 300 and 400 mM) on physiological, biochemical and anatomic parameters. Salt stress was applied on S. lagascae plants cultivated under controlled conditions. Results show that salinity reduces biomass production especially when plants are subjected to severe stress (>200 mM NaCl). Concerning the nutritional level, the fact of enriching soil with NaCl, leads to an accumulation of Na+ against other nutritional elements (K+, Ca2+). To maintain tissues hydration, S. lagascae established osmotic adaptation by accumulation of proline and soluble sugars. Salt stress affected significantly root and foliar anatomy. Indeed, plants increased their vessels’ diameter and mesophyll surface. S. lagascae plants reduced also the surface of the belluforme cells to defeat dehydration. According to our results, S. lagascae seems to be a tolerant plant at acceptable concentrations that do not exceed 6g/l.

Keywords: anatomical adaptations, mineral nutrition, plant growth, salt stress, stipa lagascae

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551 The Genotoxic Effect of Coal Fly Ash of Thermal Power Plant on Raphanus sativus L. (Radish)

Authors: Patel Kailash P, Patel Parimal M

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The effect of coal fly ash treatment on the chromosomes of Raphanus sativus L. was investigated. The seeds of Raphanus sativusL. were placed in petri dishes in three replicates and allowed to germinate for five days in different concentration of coal fly ash solution. The root was treated with the diluted, semidiluted, and concentrated solution of fly ash while the control group had distilled water.The total aberration were examined. The mitotic index was calculated and the results were statically evaluated by the analysis of variance 5% significant level. The mitotic index decreased as the concentration increased. The highest mitotic index value was diluted fly ash solution while the least was concentrated fly ash treatment. The results show the most frequent chromosomal abnormalities observed included: chromatid bridge, c-mitosis, and stickiness. Concentrated fly ash solution is much more genotoxic than semidiluted fly ash solution, as it induced more aberrations having percentage abnormalities for the highest concentration tested. Increased fly ash pollution can lead to some irreversible cytogenetic effect in plants. The study is an attempt to corroborate the toxic effect of coal fly ash of thermal power plant on the chromosome of plants. These results will be useful in environmental monitoring of the cytotoxicity of coal fly ash.

Keywords: coal fly-ash, genotoxic, cytogenetic, mitotic index, Raphanus sativus L.

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550 Descriptive Analysis of Variations in Maguindanaon Language

Authors: Fhajema Kunso

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People who live in the same region and who seemed to speak the same language still vary in some aspects of their language. The variation may occur in terms of pronunciation, lexicon, morphology, and syntax. This qualitative study described the phonological, morphological, and lexical variations of the Maguindanaon language among the ten Maguindanao municipalities. Purposive sampling, in-depth interviews, focus group discussion, and sorting and classifying of words according to phonological and morphological as well as lexical structures in data analysis were employed. The variations occurred through phonemic changes and other phonological processes and morphological processes. Phonological processes consisted of vowel lengthening and deletion while morphological processes included affixation, borrowing, and coinage. In the phonological variation, it was observed that there were phonemic changes in one dialect to another. For example, there was a change of phoneme /r/ to /l/. The phoneme /r/ was most likely to occur in Kabuntalan like /biru/, /kurIt/, and /kɘmɅr/ whereas in the rest of the dialects these were /bilu/, /kuIɪt/, and /kɘmɅl/ respectively. Morphologically, the affixation was the main way to know the tenses. For example, the root sarig (expect) when inserted with im becomes simarig, i.e. s + im + arig = simarig (expected). Lexical variation also existed in the Maguindanaon language. Results revealed that the variation in phonology, morphology, and lexicon were observed to be associated primarily on geographic distribution.

Keywords: applied linguistics, language, lexicon, Maguindanao, morphology, Philippines, phonology, processes, qualitative, variation

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549 The Theory of Domination at the Bane of Conflict Resolution and Peace Building Processes in Cameroon

Authors: Nkatow Mafany Christian

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According to UNHCR’s annual Database, humanitarian crises have globally been on the increase since the beginning of the 21st Century, especially in the Middle East and in Sub-Saharan Africa. Cameroon is one of the countries that has suffered tremendously from humanitarian challenges in recent years, especially with crises in the Far North, the East and its Two English-speaking Regions. These have been a result of failed mechanisms in conflict resolution peacebuilding by the government. The paper draws from this basic premise to argue that the failure to reach a consensus in order to curb internal conflicts has largely been due to the government’s attachment to the domineering attitude which emphasizes an imposition of peace terms by a superordinate (government) agency on the subordinate (aggrieved) entities. This has stalled peace efforts that have so far been engaged to address the dreaded armed conflicts in the North and South West Regions, leading to the persistence of the armed conflict. The paper exploits written, oral and online sources to sustain its argument. It suggests that an eclectic approach to resolving conflicts, which emphasizes open and frank dialogue as well as a review of the root causes, can go a long way not only to build trust but also to address the Anglophone-Cameroonian problems in Cameroon.

Keywords: conflict, conflict resolution, peace building, humanitarian crisis

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548 Modeling of Daily Global Solar Radiation Using Ann Techniques: A Case of Study

Authors: Said Benkaciali, Mourad Haddadi, Abdallah Khellaf, Kacem Gairaa, Mawloud Guermoui

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In this study, many experiments were carried out to assess the influence of the input parameters on the performance of multilayer perceptron which is one the configuration of the artificial neural networks. To estimate the daily global solar radiation on the horizontal surface, we have developed some models by using seven combinations of twelve meteorological and geographical input parameters collected from a radiometric station installed at Ghardaïa city (southern of Algeria). For selecting of best combination which provides a good accuracy, six statistical formulas (or statistical indicators) have been evaluated, such as the root mean square errors, mean absolute errors, correlation coefficient, and determination coefficient. We noted that multilayer perceptron techniques have the best performance, except when the sunshine duration parameter is not included in the input variables. The maximum of determination coefficient and correlation coefficient are equal to 98.20 and 99.11%. On the other hand, some empirical models were developed to compare their performances with those of multilayer perceptron neural networks. Results obtained show that the neural networks techniques give the best performance compared to the empirical models.

Keywords: empirical models, multilayer perceptron neural network, solar radiation, statistical formulas

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547 Moroccan Human Ecological Behavior: Grounded Theory Approach

Authors: Dalal Tarfaoui, Salah Zkim

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Today, environmental sustainability is everyone’s concern as it contributes in many aspects to a country's development. Morocco is also aware of the increasing threats to its natural resources. Accordingly, many projects and research have been discussed pointing mainly to water security, pollution, desertification, and land degradation, but few studies bothered to dig into the human demeanor to disclose its ecological behavior. Human behavior is accountable for environment deterioration in the first place, but we keep fighting the symptoms instead of limiting the root causes. In the conceptual framework highlighted in the present article, semi-structured interviews have been conducted using a grounded theory approach. Initially this study will serve as a pilot study and a cornerstone to approve a bigger project now in progress. Beyond the existing general ecological measures (GEM), this study has chosen the grounded theory approach to bring out firsthand insights, and probe to which extent an ecological dimension exists in Morocco as a developing country. The discourse of the ecological behavior within the Moroccan context is seen in more realist, social, and community philosophy. The study has revealed an appreciative ecological behavior that is unfortunately repressed by variables beyond people’s control, which would prevent the people’s environmental good intentions to be translated into real ecological actions.

Keywords: ecological behavior, ecological dimension, variables beyond people’s control, Morocco

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546 A Critical Analysis of Cognitive Explanations of Afterlife Belief

Authors: Mahdi Biabanaki

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Religion is present in all human societies and has been for tens of thousands of years. What is noteworthy is that although religious traditions vary in different societies, there are considerable similarities in their religious beliefs. In all human cultures, for example, there is a widespread belief in the afterlife. Cognitive science of Religion (CSR), an emerging branch of cognitive science, searches for the root of these widespread similarities and the widespread prevalence of beliefs such as beliefs in the afterlife in common mental structures among humans. Accordingly, the cognitive architecture of the human mind has evolved to produce such beliefs automatically and non-reflectively. For CSR researchers, belief in the afterlife is an intuitive belief resulting from the functioning of mental tools. Our purpose in this article is to extract and evaluate the cognitive explanations presented in the CSR field for explaining beliefs in the afterlife. Our research shows that there are two basic theories in this area of CSR, namely "intuitive dualism" and "simulation constraint" theory. We show that these two theories face four major challenges and limitations in explaining belief in the afterlife: inability to provide a causal explanation, inability to explain cultural/religious differences in afterlife belief, the lack of distinction between the natural and the rational foundations of belief in the afterlife and disregarding the supernatural foundations of the afterlife belief.

Keywords: afterlife, cognitive science of religion, intuitive dualism, simulation constraint

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545 An Assessment of the Hip Muscular Imbalance for Patients with Rheumatism

Authors: Anthony Bawa, Konstantinos Banitsas

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Rheumatism is a muscular disorder that affects the muscles of the upper and lower limbs. This condition could potentially progress to impair the movement of patients. This study aims to investigate the hip muscular imbalance in patients with chronic rheumatism. A clinical trial involving a total of 15 participants, made up of 10 patients and 5 control subjects, took place in KATH Hospital between August and September. Participants recruited for the study were of age 54 ± 8years, weight 65± 8kg, and height 176 ± 8cm. Muscle signals were recorded from the rectus femoris, and vastus lateralis on the right and left hip of participants. The parameters used in determining the hip muscular imbalances were the maximum voluntary contraction (MVC%), the mean difference, and hip muscle fatigue levels. The mean signals were compared using a t-test, and the metrics for muscle fatigue assessment were based on the root mean square (RMS), mean absolute value (MAV) and mean frequency (MEF), which were computed between the hip muscles of participants. The results indicated that there were significant imbalances in the muscle coactivity between the right and left hip muscles of patients. The patients’ MVC values were observed to be above 10% when compared with control subjects. Furthermore, the mean difference was seen to be higher with p > 0.002 among patients, which indicated clear differences in the hip muscle contraction activities. The findings indicate significant hip muscular imbalances for patients with rheumatism compared with control subjects. Information about the imbalances among patients will be useful for clinicians in designing therapeutic muscle-strengthening exercises.

Keywords: muscular, imbalances, rheumatism, Hip

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544 Analysis of Noodle Production Process at Yan Hu Food Manufacturing: Basis for Production Improvement

Authors: Rhadinia Tayag-Relanes, Felina C. Young

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This study was conducted to analyze the noodle production process at Yan Hu Food Manufacturing for the basis of production improvement. The study utilized the PDCA approach and record review in the gathering of data for the calendar year 2019 from August to October data of the noodle products miki, canton, and misua. Causal-comparative research was used in this study; it attempts to establish cause-effect relationships among the variables such as descriptive statistics and correlation, both were used to compute the data gathered. The study found that miki, canton, and misua production has different cycle time sets for each production and has different production outputs in every set of its production process and a different number of wastages. The company has not yet established its allowable rejection rate/ wastage; instead, this paper used a 1% wastage limit. The researcher recommended the following: machines used for each process of the noodle product must be consistently maintained and monitored; an assessment of all the production operators by checking their performance statistically based on the output and the machine performance; a root cause analysis for finding the solution must be conducted; and an improvement on the recording system of the input and output of the production process of noodle product should be established to eliminate the poor recording of data.

Keywords: production, continuous improvement, process, operations, PDCA

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543 Forecasting 24-Hour Ahead Electricity Load Using Time Series Models

Authors: Ramin Vafadary, Maryam Khanbaghi

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Forecasting electricity load is important for various purposes like planning, operation, and control. Forecasts can save operating and maintenance costs, increase the reliability of power supply and delivery systems, and correct decisions for future development. This paper compares various time series methods to forecast 24 hours ahead of electricity load. The methods considered are the Holt-Winters smoothing, SARIMA Modeling, LSTM Network, Fbprophet, and Tensorflow probability. The performance of each method is evaluated by using the forecasting accuracy criteria, namely, the mean absolute error and root mean square error. The National Renewable Energy Laboratory (NREL) residential energy consumption data is used to train the models. The results of this study show that the SARIMA model is superior to the others for 24 hours ahead forecasts. Furthermore, a Bagging technique is used to make the predictions more robust. The obtained results show that by Bagging multiple time-series forecasts, we can improve the robustness of the models for 24 hours ahead of electricity load forecasting.

Keywords: bagging, Fbprophet, Holt-Winters, LSTM, load forecast, SARIMA, TensorFlow probability, time series

Procedia PDF Downloads 80
542 Persistent Bacteremia in Cases of Endodontic Re-Treatments

Authors: Ilma Robo, Manola Kelmendi, Kleves Elezi, Nevila Alliu

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The most important stage in deciding whether to re-treat or not endodontically is to find the reason for the clinical in-success. Therefore, endodontic re-treatment aims to eliminate the etiology of the pathology, where the main ones are the bacteria remaining in the inter-radicular spaces or the presence of other irritants that can be not only bacterial toxins but also the elements that keep the batteries fixed or extra-canal toxins such as extraction outside the apex of the canal filling. Shortcomings of endodontic treatment can be corrected, if possible, only with endodontic re-treatment that is initially attempted orthograde, and if clinical endodontic success is not achieved again, it can be performed retrograde or surgically. The elements that do not help in this direction are the anatomical deformations in the canal network of the tooth roots, in the presence of the delta at the apex of the tooth root, in the isthmuses present, all of which can be explained by the endodontic canal anatomical morphology. Actually, even if the causative endodontic bacteria remains isolated and without an exit in the healthy periodontal tissues, then this can also be a clinical endodontic success, regardless of the fact that the endodontic isolation occurred only in the exits such as the apex or the accessory canals. Clinical endodontic in-success occurs only when bacterial residues emerge or provide an exit in the healthy periradicular tissues or along the entire length of the canal where the accessory canals exit.

Keywords: endodontic success, E. foecalis, nanoparticles, laser diode, antibacterial, antiseptic

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541 Exogenous Ascorbic Acid Increases Resistance to Salt of Carthamus tinctorius

Authors: Banu Aytül Ekmekçi

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Salinity stress has negative effects on agricultural yield throughout the world, affecting production whether it is for subsistence or economic gain. This study investigates the inductive role of vitamin C and its application mode in mitigating the detrimental effects of irrigation with diluted (10, 20 and 30 %) NaCl + water on carthamus tinctorius plants. The results show that 10% of salt water exhibited insignificant changes, while the higher levels impaired growth by reducing seed germination, dry weights of shoot and root, water status and chlorophyll contents. However, irrigation with salt water enhanced carotenoids and antioxidant enzyme activities. The detrimental effects of salt water were ameliorated by application of 100 ppm ascorbic acid (vitamin C). The inductive role of vitamin was associated with the improvement of seed germination, growth, plant water status, carotenoids, endogenous ascorbic acid and antioxidant enzyme activities. Moreover, vitamin C alone or in combination with 30% NaCl water increased the intensity of protein bands as well as synthesized additional new proteins with molecular weights of 205, 87, 84, 65 and 45 kDa. This could increase tolerance mechanisms of treated plants towards water salinity.

Keywords: salinity, stress, vitamin c, antioxidant, NaCl, enzyme

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540 Pharmacophore-Based Modeling of a Series of Human Glutaminyl Cyclase Inhibitors to Identify Lead Molecules by Virtual Screening, Molecular Docking and Molecular Dynamics Simulation Study

Authors: Ankur Chaudhuri, Sibani Sen Chakraborty

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In human, glutaminyl cyclase activity is highly abundant in neuronal and secretory tissues and is preferentially restricted to hypothalamus and pituitary. The N-terminal modification of β-amyloids (Aβs) peptides by the generation of a pyro-glutamyl (pGlu) modified Aβs (pE-Aβs) is an important process in the initiation of the formation of neurotoxic plaques in Alzheimer’s disease (AD). This process is catalyzed by glutaminyl cyclase (QC). The expression of QC is characteristically up-regulated in the early stage of AD, and the hallmark of the inhibition of QC is the prevention of the formation of pE-Aβs and plaques. A computer-aided drug design (CADD) process was employed to give an idea for the designing of potentially active compounds to understand the inhibitory potency against human glutaminyl cyclase (QC). This work elaborates the ligand-based and structure-based pharmacophore exploration of glutaminyl cyclase (QC) by using the known inhibitors. Three dimensional (3D) quantitative structure-activity relationship (QSAR) methods were applied to 154 compounds with known IC50 values. All the inhibitors were divided into two sets, training-set, and test-sets. Generally, training-set was used to build the quantitative pharmacophore model based on the principle of structural diversity, whereas the test-set was employed to evaluate the predictive ability of the pharmacophore hypotheses. A chemical feature-based pharmacophore model was generated from the known 92 training-set compounds by HypoGen module implemented in Discovery Studio 2017 R2 software package. The best hypothesis was selected (Hypo1) based upon the highest correlation coefficient (0.8906), lowest total cost (463.72), and the lowest root mean square deviation (2.24Å) values. The highest correlation coefficient value indicates greater predictive activity of the hypothesis, whereas the lower root mean square deviation signifies a small deviation of experimental activity from the predicted one. The best pharmacophore model (Hypo1) of the candidate inhibitors predicted comprised four features: two hydrogen bond acceptor, one hydrogen bond donor, and one hydrophobic feature. The Hypo1 was validated by several parameters such as test set activity prediction, cost analysis, Fischer's randomization test, leave-one-out method, and heat map of ligand profiler. The predicted features were then used for virtual screening of potential compounds from NCI, ASINEX, Maybridge and Chembridge databases. More than seven million compounds were used for this purpose. The hit compounds were filtered by drug-likeness and pharmacokinetics properties. The selective hits were docked to the high-resolution three-dimensional structure of the target protein glutaminyl cyclase (PDB ID: 2AFU/2AFW) to filter these hits further. To validate the molecular docking results, the most active compound from the dataset was selected as a reference molecule. From the density functional theory (DFT) study, ten molecules were selected based on their highest HOMO (highest occupied molecular orbitals) energy and the lowest bandgap values. Molecular dynamics simulations with explicit solvation systems of the final ten hit compounds revealed that a large number of non-covalent interactions were formed with the binding site of the human glutaminyl cyclase. It was suggested that the hit compounds reported in this study could help in future designing of potent inhibitors as leads against human glutaminyl cyclase.

Keywords: glutaminyl cyclase, hit lead, pharmacophore model, simulation

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539 Visible Light Communication and Challenges

Authors: Hamid Sharif, Nazish Saleem Abbas, Muhammad Haris Jamil

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Visible light communication is an emerging technology for almost a decade now; there is a growing need for VLC systems to overcome the challenges faced by radio frequency RF communication systems. With the advancement in the development of solid-state sources, in the future would replace incandescent and fluorescent light sources. These solid-state devices are not only to be used for illumination but can also be employed for communication and navigational purposes. The replacement of conventional illumination sources with highly efficient light-emitting diodes (LED's) (generally white light) will reduce energy consumption as well as environmental pollution. White LEDs dissipate very less power as compared to conventional light sources. The use of LED's is not only beneficial in terms of power consumption, but it also has an intrinsic capability for indoor wireless communication as compared to indoor RF communication. It is considerably low in cost to operate than the RF systems such as Wi-Fi routers, allows convenient means of reusing the bandwidth, and there is a huge potential for high data rate transmissions with enhanced data security. This paper provides an overview of some of the current challenges with VLC and proposes a possible solution to deal with these challenges; it also examines some joint protocols to optimize the joint illumination and communication functionality.

Keywords: visible light communication, line of sight, root mean square delay spread, light emitting diodes

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538 Viability of Sub-Surface Drip Irrigation in Agronomic and Vegetable Crops Production

Authors: Ali Montazar

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This study aims to assess the viability of sub-surface drip irrigation (SDI) using several ongoing and conducted researches in the low desert region of California. The experiments were carried out in the University of California Desert Research and Extension Center (UC DREC) and ten commercial fields at alfalfa, sugar beets, dehydrated onions, and spinach crops. The results demonstrated greater yields, actual crop water consumption, and water productivity of SDI as compared with conventional irrigation practices (border, furrow, and sprinkler irrigation) with an average increase of 21%, 7%, and 15%, respectively. The severity of plant disease, particularly root rot in sugar beet, and downy mildew in onions and spinach, were significantly lower in SDI than furrow and sprinkler irrigation (an average of 3-5 times). While utilizing this irrigation technology may have ability to achieve higher yields, conserve water, improve the efficiency of water and nutrient use, and manage food safety risks and plant disease, further work is required to better understand the impact of management practices and strategies on the viability of SDI application, and maintain its profitability in various agricultural production systems as water, labor costs, and environmental concerns increase.

Keywords: alfalfa, onions, spinach, sugar beets, subsurface drip irrigation

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537 Multi-Linear Regression Based Prediction of Mass Transfer by Multiple Plunging Jets

Authors: S. Deswal, M. Pal

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The paper aims to compare the performance of vertical and inclined multiple plunging jets and to model and predict their mass transfer capacity by multi-linear regression based approach. The multiple vertical plunging jets have jet impact angle of θ = 90O; whereas, multiple inclined plunging jets have jet impact angle of θ = 600. The results of the study suggests that mass transfer is higher for multiple jets, and inclined multiple plunging jets have up to 1.6 times higher mass transfer than vertical multiple plunging jets under similar conditions. The derived relationship, based on multi-linear regression approach, has successfully predicted the volumetric mass transfer coefficient (KLa) from operational parameters of multiple plunging jets with a correlation coefficient of 0.973, root mean square error of 0.002 and coefficient of determination of 0.946. The results suggests that predicted overall mass transfer coefficient is in good agreement with actual experimental values; thereby suggesting the utility of derived relationship based on multi-linear regression based approach and can be successfully employed in modelling mass transfer by multiple plunging jets.

Keywords: mass transfer, multiple plunging jets, multi-linear regression, earth sciences

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536 Analytical Authentication of Butter Using Fourier Transform Infrared Spectroscopy Coupled with Chemometrics

Authors: M. Bodner, M. Scampicchio

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Fourier Transform Infrared (FT-IR) spectroscopy coupled with chemometrics was used to distinguish between butter samples and non-butter samples. Further, quantification of the content of margarine in adulterated butter samples was investigated. Fingerprinting region (1400-800 cm–1) was used to develop unsupervised pattern recognition (Principal Component Analysis, PCA), supervised modeling (Soft Independent Modelling by Class Analogy, SIMCA), classification (Partial Least Squares Discriminant Analysis, PLS-DA) and regression (Partial Least Squares Regression, PLS-R) models. PCA of the fingerprinting region shows a clustering of the two sample types. All samples were classified in their rightful class by SIMCA approach; however, nine adulterated samples (between 1% and 30% w/w of margarine) were classified as belonging both at the butter class and at the non-butter one. In the two-class PLS-DA model’s (R2 = 0.73, RMSEP, Root Mean Square Error of Prediction = 0.26% w/w) sensitivity was 71.4% and Positive Predictive Value (PPV) 100%. Its threshold was calculated at 7% w/w of margarine in adulterated butter samples. Finally, PLS-R model (R2 = 0.84, RMSEP = 16.54%) was developed. PLS-DA was a suitable classification tool and PLS-R a proper quantification approach. Results demonstrate that FT-IR spectroscopy combined with PLS-R can be used as a rapid, simple and safe method to identify pure butter samples from adulterated ones and to determine the grade of adulteration of margarine in butter samples.

Keywords: adulterated butter, margarine, PCA, PLS-DA, PLS-R, SIMCA

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535 Slavery Transcending Borders: An Analysis of Human Trafficking in Europe and the EU’s Impact on the Issue

Authors: Santiago Martínez Hernández

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The establishment of the European Union signified the culmination of the supra-national power addressing economic, political, legal and humanitarian matters within and above a national territory. Human rights have taken a protagonist role as one of the pressing concerns that the EU addresses, and one of the most critical problems is that of human trafficking. This multi-billion dollar criminal business represents $31.6 per year made out of 2.5 million trafficked persons worldwide, making it one of the most crucial human rights problems in the world to address. The EU has developed strategies to tackle this issue through supra-national governance, however, how have they fared? What is the impact of its development on the issue? This paper will address the direct and indirect impact of the formation of the European Union as a supranational political and economic entity on the illicit industry of human trafficking in Europe. It attempts to analyse first, the situation of human trafficking in Europe, as an attempt to understand its importance in the region, addressing its root causes and the role of the states addressed. Second, the paper will examine the impact of the EU on human breaking down its policy-making at a supranational level, the role of the economic integration of the region, and the change of migration patterns since its inception.

Keywords: human trafficking, human rights, European union, criminal business

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534 A Modeling Approach for Blockchain-Oriented Information Systems Design

Authors: Jiaqi Yan, Yani Shi

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The blockchain technology is regarded as the most promising technology that has the potential to trigger a technological revolution. However, besides the bitcoin industry, we have not yet seen a large-scale application of blockchain in those domains that are supposed to be impacted, such as supply chain, financial network, and intelligent manufacturing. The reasons not only lie in the difficulties of blockchain implementation, but are also root in the challenges of blockchain-oriented information systems design. As the blockchain members are self-interest actors that belong to organizations with different existing information systems. As they expect different information inputs and outputs of the blockchain application, a common language protocol is needed to facilitate communications between blockchain members. Second, considering the decentralization of blockchain organization, there is not any central authority to organize and coordinate the business processes. Thus, the information systems built on blockchain should support more adaptive business process. This paper aims to address these difficulties by providing a modeling approach for blockchain-oriented information systems design. We will investigate the information structure of distributed-ledger data with conceptual modeling techniques and ontology theories, and build an effective ontology mapping method for the inter-organization information flow and blockchain information records. Further, we will study the distributed-ledger-ontology based business process modeling to support adaptive enterprise on blockchain.

Keywords: blockchain, ontology, information systems modeling, business process

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533 Antibiotic Treatment of Apical Periodontitis

Authors: Ilma Robo, Saimir Heta, Gerhard Nokaj

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Introduction: The method of treatment and the treatment protocols of apical periodontitis are now known, but the ongoing debate remains on whether or not prescription antibiotics should be given to patients suffering from this type of pathology. In fact, as an indication for prescribing antibiotics, this type of pathology remains between clinical indication and contraindication. Material and Methods: This article is of the short-communication type and has the sole purpose of analyzing the clinical picture of apical periodontitis and the fact that the appearance and extent of this pathology in the periapex area passes the stage when the host or the immune cells of the organism of the affected individual, react against bacterial factors. Results: Determining whether or not to prescribe systemic antibiotics according to literature sources can be avoided. In some cases, research in this field about this pathology even indicates endodontic rinsers or irrigants, such as chlorhexidine, in typical cases, mainly in persistent apical periodontitis. Conclusions: In times when bacterial resistance is a hot topic in some fields of scientific research, it is important to divide dental pathologies of bacterial origin into those when systemic antibiotic prescriptions must be given and those when every clinical issue is resolved only with endodontic root canal treatment. Even certain sources of published literature show the specifics of the most effective antibiotics against the bacterial flora causing the pathology of apical periodontitis.

Keywords: endodontic treatment, apical periodontitis, antibiotics, chlorhexidine

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532 The Long-Run Impact of Financial Development on Greenhouse Gas Emissions in India: An Application of Regime Shift Based Cointegration Approach

Authors: Javaid Ahmad Dar, Mohammad Asif

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The present study investigates the long-run impact of financial development, energy consumption and economic growth on greenhouse gas emissions for India, in presence of endogenous structural breaks, over a period of 1971-2013. Autoregressive distributed lag bounds testing procedure and Hatemi-J threshold cointegration technique have been used to test the variables for cointegration. ARDL bounds test did not confirm any cointegrating relationship between the variables. The threshold cointegration test establishes the presence of long-run impact of financial development, energy use and economic growth on greenhouse gas emissions in India. The results reveal that the long-run relationship between the variables has witnessed two regime shifts, in 1978 and 2002. The empirical evidence shows that financial sector development and energy consumption in India degrade environment. Unlike previous studies, this paper finds no statistical evidence of long-run relationship between economic growth and environmental deterioration. The study also challenges the existence of environmental Kuznets curve in India.

Keywords: cointegration, financial development, global warming, greenhouse gas emissions, regime shift, unit root

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531 Modeling Residential Electricity Consumption Function in Malaysia: Time Series Approach

Authors: L. L. Ivy-Yap, H. A. Bekhet

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As the Malaysian residential electricity consumption continued to increase rapidly, effective energy policies, which address factors affecting residential electricity consumption, is urgently needed. This study attempts to investigate the relationship between residential electricity consumption (EC), real disposable income (Y), price of electricity (Pe) and population (Po) in Malaysia for 1978-2011 periods. Unlike previous studies on Malaysia, the current study focuses on the residential sector, a sector that is important for the contemplation of energy policy. The Phillips-Perron (P-P) unit root test is employed to infer the stationary of each variable while the bound test is executed to determine the existence of co-integration relationship among the variables, modeled in an Autoregressive Distributed Lag (ARDL) framework. The CUSUM and CUSUM of squares tests are applied to ensure the stability of the model. The results suggest the existence of long-run equilibrium relationship and bidirectional Granger causality between EC and the macroeconomic variables. The empirical findings will help policy makers of Malaysia in developing new monitoring standards of energy consumption. As it is the major contributing factor in economic growth and CO2 emission, there is a need for more proper planning in Malaysia to attain future targets in order to cut emissions.

Keywords: co-integration, elasticity, granger causality, Malaysia, residential electricity consumption

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530 Modeling Pan Evaporation Using Intelligent Methods of ANN, LSSVM and Tree Model M5 (Case Study: Shahroud and Mayamey Stations)

Authors: Hamidreza Ghazvinian, Khosro Ghazvinian, Touba Khodaiean

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The importance of evaporation estimation in water resources and agricultural studies is undeniable. Pan evaporation are used as an indicator to determine the evaporation of lakes and reservoirs around the world due to the ease of interpreting its data. In this research, intelligent models were investigated in estimating pan evaporation on a daily basis. Shahroud and Mayamey were considered as the studied cities. These two cities are located in Semnan province in Iran. The mentioned cities have dry weather conditions that are susceptible to high evaporation potential. Meteorological data of 11 years of synoptic stations of Shahrood and Mayamey cities were used. The intelligent models used in this study are Artificial Neural Network (ANN), Least Squares Support Vector Machine (LSSVM), and M5 tree models. Meteorological parameters of minimum and maximum air temperature (Tmax, Tmin), wind speed (WS), sunshine hours (SH), air pressure (PA), relative humidity (RH) as selected input data and evaporation data from pan (EP) to The output data was considered. 70% of data is used at the education level, and 30 % of the data is used at the test level. Models used with explanation coefficient evaluation (R2) Root of Mean Squares Error (RMSE) and Mean Absolute Error (MAE). The results for the two Shahroud and Mayamey stations showed that the above three models' operations are rather appropriate.

Keywords: pan evaporation, intelligent methods, shahroud, mayamey

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