Search results for: Drugs activity prediction.

Authors: Irene Luque Ruiz, Manuel Urbano Cuadrado, Miguel Ángel Gómez-Nieto

Abstract:

In this paper we study different similarity based approaches for the development of QSAR model devoted to the prediction of activity of antiobesity drugs. Classical similarity approaches are compared regarding to dissimilarity models based on the consideration of the calculation of Euclidean distances between the nonisomorphic fragments extracted in the matching process. Combining the classical similarity and dissimilarity approaches into a new similarity measure, the Approximate Similarity was also studied, and better results were obtained. The application of the proposed method to the development of quantitative structure-activity relationships (QSAR) has provided reliable tools for predicting of inhibitory activity of drugs. Acceptable results were obtained for the models presented here.

Keywords: Graph similarity, Nonisomorphic dissimilarity, Approximate similarity, Drugs activity prediction.

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Authors: Irene Luque Ruiz, Manuel Urbano Cuadrado, Miguel Ángel Gómez-Nieto

Abstract:

New graph similarity methods have been proposed in this work with the aim to refining the chemical information extracted from molecules matching. For this purpose, data fusion of the isomorphic and nonisomorphic subgraphs into a new similarity measure, the Approximate Similarity, was carried out by several approaches. The application of the proposed method to the development of quantitative structure-activity relationships (QSAR) has provided reliable tools for predicting several pharmacological parameters: binding of steroids to the globulin-corticosteroid receptor, the activity of benzodiazepine receptor compounds, and the blood brain barrier permeability. Acceptable results were obtained for the models presented here.

Keywords: Graph similarity, Nonisomorphic dissimilarity, Approximate similarity, Drug activity prediction.

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Authors: M Tayari, SZ Moosavi-nejad, A Shabani, M Rezaei Tavirani

Abstract:

Free Hemoglobin promotes the accumulation of hydroxyl radicals by the heme iron, which can react with endogenous hydrogen peroxide to produce free radicals which may cause severe oxidative cell damage. Haptoglobin binds to Hemoglobin strongly and Haptoglobin-Hemoglobin binding is irreversible. Peroxidase activity of Haptoglobin(2-2)-Hemoglobin complex was assayed by following increase of absorption of produced tetraguaiacol as the second substrate of Haptoglobin-Hemoglobin complex at 470 nm and 42°C by UV-Vis spectrophotometer. The results have shown that peroxidase activity of Haptoglobin(2-2)-Hemoglobin complex is modulated via homotropic effect of hydrogen peroxide as allostric substrate. On the other hand antioxidant property of Haptoglobin(2- 2)-Hemoglobin was increased via heterotropic effect of the two drugs (especially ampicillin) on peroxidase activity of the complex. Both drugs also have mild effect on quality of homotropic property of peroxidase activity of Haptoglobin(2-2)-Hemoglobin complex. Therefore, in vitro studies show that the two drugs may help Hp-Hb complex to remove hydrogen peroxide from serum at pathologic temperature ature (42 C).

Keywords: Haptoglobin, Hemoglobin, Antioxidant, Antibiotics.

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Authors: Salvatore Marra, Francesco C. Morabito

Abstract:

In this paper we present an efficient approach for the prediction of two sunspot-related time series, namely the Yearly Sunspot Number and the IR5 Index, that are commonly used for monitoring solar activity. The method is based on exploiting partially recurrent Elman networks and it can be divided into three main steps: the first one consists in a “de-rectification" of the time series under study in order to obtain a new time series whose appearance, similar to a sum of sinusoids, can be modelled by our neural networks much better than the original dataset. After that, we normalize the derectified data so that they have zero mean and unity standard deviation and, finally, train an Elman network with only one input, a recurrent hidden layer and one output using a back-propagation algorithm with variable learning rate and momentum. The achieved results have shown the efficiency of this approach that, although very simple, can perform better than most of the existing solar activity forecasting methods.

Keywords: Elman neural networks, sunspot, solar activity, time series prediction.

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Authors: H. Al-Khalaifa, A. Al-Nasser

Abstract:

The viewpoint towards the use of drugs or vaccines against avian parasitic diseases is one of the most striking challenges in avian medical parasitology. This includes many difficulties associated with drug resistance and in developing prophylactic vaccines. In many instances, the potential success of a vaccination in controlling parasitic diseases in poultry is well-documented. However, some medical, technical and financial limitations are still paramount. On the other hand, chemotherapy is not very well-recommended due to a number of medical limitations. But in the absence of an effective vaccine, drugs are used against parasitic diseases. This paper sheds light on some the advantages and disadvantages of using vaccination and drugs in controlling parasitic diseases in poultry species. The usage of chemotherapeutic drugs is discussed with some examples. Then, more light will be shed on using vaccines as a potentially effective and promising control tool.

Keywords: Drugs, parasitology, poultry, vaccines.

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Authors: Huiming Peng, Jianguo Wen, Hongwei Li, Jeff Chang, Xiaobo Zhou

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NFκB activation plays a crucial role in anti-apoptotic responses in response to the apoptotic signaling during tumor necrosis factor (TNFa) stimulation in Multiple Myeloma (MM). Although several drugs have been found effective for the treatment of MM by mainly inhibiting NFκB pathway, there are no any quantitative or qualitative results of comparison assessment on inhibition effect between different single drugs or drug combinations. Computational modeling is becoming increasingly indispensable for applied biological research mainly because it can provide strong quantitative predicting power. In this study, a novel computational pathway modeling approach is employed to comparably assess the inhibition effects of specific single drugs and drug combinations on the NFκB pathway in MM, especially the prediction of synergistic drug combinations.

Keywords: Computational modeling, drug combination, inhibition effect, multiple myeloma, NFkB pathway.

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Authors: Oyelami M. Olufemi

Abstract:

The menace of counterfeiting pharmaceuticals/drugs has become a major threat to consumers, healthcare providers, drug manufacturers and governments. It is a source of public health concern both in the developed and developing nations. Several solutions for detecting and authenticating counterfeit drugs have been adopted by different nations of the world. In this article, a dialogue system-based drug counterfeiting detection system was developed and the results of the user satisfaction and acceptability of the system are presented. The results show that the users were satisfied with the system and the system was widely accepted as a means of fighting counterfeited drugs.

Keywords: Counterfeiting, dialogue system, drugs, voice application.

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Authors: Neeraj Mohan, Parvinder S. Sandhu, Hardeep Singh

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Software maintenance is extremely important activity in software development life cycle. It involves a lot of human efforts, cost and time. Software maintenance may be further subdivided into different activities such as fault prediction, fault detection, fault prevention, fault correction etc. This topic has gained substantial attention due to sophisticated and complex applications, commercial hardware, clustered architecture and artificial intelligence. In this paper we surveyed the work done in the field of software maintenance. Software fault prediction has been studied in context of fault prone modules, self healing systems, developer information, maintenance models etc. Still a lot of things like modeling and weightage of impact of different kind of faults in the various types of software systems need to be explored in the field of fault severity.

Keywords: Fault prediction, Software Maintenance, Automated Fault Prediction, and Failure Mode Analysis

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Authors: Pimporn Thongmuang

Abstract:

The import value of Antimicrobial drugs reached approximately fifteen million Baht in 2010, considered as the highest import value of all modern drugs, and this value is rising every year. Antimicrobials are considered the hazardous drugs by the Ministry of Public Health (No. 10). This research was conducted in order to investigate the past knowledge of drug use and Antimicrobial drug use behavior. A total of 757 students were selected as the samples out of a population of 1,800 students. This selected students had the experience of Antimicrobial drugs use a year ago. A questionnaire was utilized in this research. The findings put on the view that knowledge gained by the students about proper use of Antimicrobials drugs was not brought into practice. This suggests that the education procedure regarding drug use needs adjustment. And therefore the findings of this research are expected to be utilized as guidelines for educating people about the proper use of Antimicrobials drugs. At a broader perspective, correct drug use behavior of the public may potentially reduce drug cost of the Ministry of Public Health of Thailand.

Keywords: Drug Use Knowledge, Antimicrobial Drugs, Drug Use Behavior.

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Authors: B. Sir, M. Podhoranyi, S. Kuchar, T. Kocyan

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Rainfall runoff models play important role in hydrological predictions. However, the model is only one part of the process for creation of flood prediction. The aim of this paper is to show the process of successful prediction for flood event (May 15 – May 18 2014). Prediction was performed by rainfall runoff model HEC–HMS, one of the models computed within Floreon+ system. The paper briefly evaluates the results of automatic hydrologic prediction on the river Olše catchment and its gages Český Těšín and Věřňovice.

Keywords: Flood, HEC-HMS, Prediction, Rainfall – Runoff.

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Authors: J. Silva, P. Arezes, R. Schierl, N. Costa

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In order to study environmental contamination by cytostatic drugs in Portugal hospitals, sampling campaigns were conducted in three hospitals in 2015 (112 samples). Platinum containing drugs and fluorouracil were chosen because both were administered in high amounts. The detection limit was 0.01 pg/cm² for platinum and 0.1 pg/cm² for fluorouracil. The results show that spills occur mainly on the patient`s chair, while the most referenced occurrence is due to an inadequately closed wrapper. Day hospitals facilities were detected as having the largest number of contaminated samples and with higher levels of contamination.

Keywords: Antineoplastic, drugs, exposure, surface.

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Authors: N. H. Adenan, M. S. M. Noorani

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River flow prediction is an essential to ensure proper management of water resources can be optimally distribute water to consumers. This study presents an analysis and prediction by using nonlinear prediction method involving monthly river flow data in Tanjung Tualang from 1976 to 2006. Nonlinear prediction method involves the reconstruction of phase space and local linear approximation approach. The phase space reconstruction involves the reconstruction of one-dimensional (the observed 287 months of data) in a multidimensional phase space to reveal the dynamics of the system. Revenue of phase space reconstruction is used to predict the next 72 months. A comparison of prediction performance based on correlation coefficient (CC) and root mean square error (RMSE) have been employed to compare prediction performance for nonlinear prediction method, ARIMA and SVM. Prediction performance comparisons show the prediction results using nonlinear prediction method is better than ARIMA and SVM. Therefore, the result of this study could be used to develop an efficient water management system to optimize the allocation water resources.

Keywords: River flow, nonlinear prediction method, phase space, local linear approximation.

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Authors: N. H. Adenan, M. S. M. Noorani

Abstract:

River flow prediction is an essential tool to ensure proper management of water resources and the optimal distribution of water to consumers. This study presents an analysis and prediction by using nonlinear prediction method with monthly river flow data for Tanjung Tualang from 1976 to 2006. Nonlinear prediction method involves the reconstruction of phase space and local linear approximation approach. The reconstruction of phase space involves the reconstruction of one-dimension (the observed 287 months of data) in a multidimensional phase space to reveal the dynamics of the system. The revenue of phase space reconstruction is used to predict the next 72 months. A comparison of prediction performance based on correlation coefficient (CC) and root mean square error (RMSE) was employed to compare prediction performance for the nonlinear prediction method, ARIMA and SVM. Prediction performance comparisons show that the prediction results using the nonlinear prediction method are better than ARIMA and SVM. Therefore, the results of this study could be used to develop an efficient water management system to optimize the allocation of water resources.

Keywords: River flow, nonlinear prediction method, phase space, local linear approximation.

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Authors: A. Elyousfi, A. Tamtaoui, E. Bouyakhf

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The H.264/AVC standard uses an intra prediction, 9 directional modes for 4x4 luma blocks and 8x8 luma blocks, 4 directional modes for 16x16 macroblock and 8x8 chroma blocks, respectively. It means that, for a macroblock, it has to perform 736 different RDO calculation before a best RDO modes is determined. With this Multiple intra-mode prediction, intra coding of H.264/AVC offers a considerably higher improvement in coding efficiency compared to other compression standards, but computational complexity is increased significantly. This paper presents a fast intra prediction algorithm for H.264/AVC intra prediction based a characteristic of homogeneity information. In this study, the gradient prediction method used to predict the homogeneous area and the quadratic prediction function used to predict the nonhomogeneous area. Based on the correlation between the homogeneity and block size, the smaller block is predicted by gradient prediction and quadratic prediction, so the bigger block is predicted by gradient prediction. Experimental results are presented to show that the proposed method reduce the complexity by up to 76.07% maintaining the similar PSNR quality with about 1.94%bit rate increase in average.

Keywords: Intra prediction, H.264/AVC, video coding, encodercomplexity.

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Authors: Kefaya Qaddoum

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The aim of this study is to predict breast cancer and to construct a supportive model that will stimulate a more reliable prediction as a factor that is fundamental for public health. In this study, we utilize general regression neural networks (GRNN) to replace the normal predictions with prediction periods to achieve a reasonable percentage of confidence. The mechanism employed here utilises a machine learning system called conformal prediction (CP), in order to assign consistent confidence measures to predictions, which are combined with GRNN. We apply the resulting algorithm to the problem of breast cancer diagnosis. The results show that the prediction constructed by this method is reasonable and could be useful in practice.

Keywords: Neural network, conformal prediction, cancer classification, regression.

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Authors: Deepak Mohan, Sushma Sharma

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Non-Steroidal Anti-Inflammatory Drugs (NSAIDs) are a group of widely used drugs for the treatment of rheumatoid diseases and to relieve pain and inflammation due to their analgesic anti-pyretic and anti-inflammatory properties. The therapeutic and many of the toxic effects of NSAIDs result from reversible inhibition of enzymes in the cyclooxygenase (COX) group. In the present investigation the effect of the drug on the concentration of lipids, and on the activity of the enzymes i.e. acid and alkaline phosphatase, GOT, GPT and lipid peroxidase were studied. There was a significant enhancement in the activities of both acid and alkaline phosphatase after 21 days of treatment. Proportionate increase in the MDA contents was observed after different days of diclofenac treatment. Cellular damage in the liver resulted in decrease in the activity of both GOT (Glutamate oxaloacetate transaminase) and GPT (Glutamate pyruvate transaminase) in both low and high dose groups. Significant decrease in the liver contents was also observed in both dose groups.

Keywords: Anti-inflammatory, cyclooxygenase, glutamate oxaloacetate transaminase, malondialdehyde.

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Authors: Mansoureh Naderipour, Susan Bastani, Mohammad Fazel Zarandi

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Predicting links that may occur in the future and missing links in social networks is an attractive problem in social network analysis. Granular computing can help us to model the relationships between human-based system and social sciences in this field. In this paper, we present a model based on granular computing approach and Type-2 fuzzy logic to predict links regarding nodes’ activity and the relationship between two nodes. Our model is tested on collaboration networks. It is found that the accuracy of prediction is significantly higher than the Type-1 fuzzy and crisp approach.

Keywords: Social Network, link prediction, granular computing, Type-2 fuzzy sets.

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Authors: Jun Sung Park, Hyo Jung Song

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H.264/AVC offers a considerably higher improvement in coding efficiency compared to other compression standards such as MPEG-2, but computational complexity is increased significantly. In this paper, we propose selective mode decision schemes for fast intra prediction mode selection. The objective is to reduce the computational complexity of the H.264/AVC encoder without significant rate-distortion performance degradation. In our proposed schemes, the intra prediction complexity is reduced by limiting the luma and chroma prediction modes using the directional information of the 16×16 prediction mode. Experimental results are presented to show that the proposed schemes reduce the complexity by up to 78% maintaining the similar PSNR quality with about 1.46% bit rate increase in average.

Keywords: Video encoding, H.264, Intra prediction.

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Authors: Leonardo Juan Ramírez López, Javier Oswaldo Rodriguez Velasquez

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We have designed a Holter that measures the heart´s activity for over 24 hours, implemented a prediction methodology, and generate alarms as well as indicators to patients and treating physicians. Various diagnostic advances have been developed in clinical cardiology thanks to Holter implementation; however, their interpretation has largely been conditioned to clinical analysis and measurements adjusted to diverse population characteristics, thus turning it into a subjective examination. This, however, requires vast population studies to be validated that, in turn, have not achieved the ultimate goal: mortality prediction. Given this context, our Insight Research Group developed a mathematical methodology that assesses cardiac dynamics through entropy and probability, creating a numerical and geometrical attractor which allows quantifying the normalcy of chronic and acute disease as well as the evolution between such states, and our Tigum Research Group developed a holter device with 12 channels and advanced computer software. This has been shown in different contexts with 100% sensitivity and specificity results.

Keywords: Entropy, mathematical, prediction, cardiac, holter, attractor.

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Authors: Han Bing, Yin Zhenjie

Abstract:

In order to analyze the status of a diesel engine, as well as conduct fault prediction, a new prediction model based on a gray system is proposed in this paper, which takes advantage of the neural network and the genetic algorithm. The proposed GBPGA prediction model builds on the GM (1.5) model and uses a neural network, which is optimized by a genetic algorithm to construct the error compensator. We verify our proposed model on the diesel faulty simulation data and the experimental results show that GBPGA has the potential to employ fault prediction on diesel.

Keywords: Fault prediction, Neural network, GM (1.5), Genetic algorithm, GBPGA.

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Authors: S. Niksarlioglu, F. Kulahci

Abstract:

Earthquakes are natural phenomena that occur with influence of a lot of parameters such as seismic activity, changing in the ground waters' motion, changing in the water-s temperature, etc. On the other hand, the radon gas concentrations in soil vary as nonlinear generally with earthquakes. Continuous measurement of the soil radon gas is very important for determination of characteristic of the seismic activity. The radon gas changes as continuous with strain occurring within the Earth-s surface during an earthquake and effects from the physical and the chemical processes such as soil structure, soil permeability, soil temperature, the barometric pressure, etc. Therefore, at the modeling researches are notsufficient to knowthe concentration ofradon gas. In this research, we determined relationships between radon emissions based on the environmental parameters and earthquakes occurring along the East Anatolian Fault Zone (EAFZ), Turkiye and predicted magnitudes of some earthquakes with the artificial neural network (ANN) model.

Keywords: Earthquake, Modeling, Prediction, Radon.

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Authors: Kibaek Kim, Dongjin Jung, Jinik Jang, Jechang Jeong

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In this paper, we proposed a method to reduce quantization error. In order to reduce quantization error, low pass filtering is applied on neighboring samples of current block in H.264/AVC. However, it has a weak point that low pass filtering is performed regardless of prediction direction. Since it doesn-t consider prediction direction, it may not reduce quantization error effectively. Proposed method considers prediction direction for low pass filtering and uses a threshold condition for reducing flag bit. We compare our experimental result with conventional method in H.264/AVC and we can achieve the average bit-rate reduction of 1.534% by applying the proposed method. Bit-rate reduction between 0.580% and 3.567% are shown for experimental results.

Keywords: Coding efficiency, H.264/AVC, Intra prediction, Low pass filter

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Authors: A. I. Dounis, P. Tiropanis, D. Tseles, G. Nikolaou, G. P. Syrcos

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The prediction of meteorological parameters at a meteorological station is an interesting and open problem. A firstorder linear dynamic model GM(1,1) is the main component of the grey system theory. The grey model requires only a few previous data points in order to make a real-time forecast. In this paper, we consider the daily average ambient temperature as a time series and the grey model GM(1,1) applied to local prediction (short-term prediction) of the temperature. In the same case study we use a fuzzy predictive model for global prediction. We conclude the paper with a comparison between local and global prediction schemes.

Keywords: Fuzzy predictive model, grey model, local andglobal prediction, meteorological forecasting, time series.

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Authors: Maryam Jamela Ismail, Rosdiazli Ibrahim, Idris Ismail

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In the oil and gas industry, energy prediction can help the distributor and customer to forecast the outgoing and incoming gas through the pipeline. It will also help to eliminate any uncertainties in gas metering for billing purposes. The objective of this paper is to develop Neural Network Model for energy consumption and analyze the performance model. This paper provides a comprehensive review on published research on the energy consumption prediction which focuses on structures and the parameters used in developing Neural Network models. This paper is then focused on the parameter selection of the neural network prediction model development for energy consumption and analysis on the result. The most reliable model that gives the most accurate result is proposed for the prediction. The result shows that the proposed neural network energy prediction model is able to demonstrate an adequate performance with least Root Mean Square Error.

Keywords: Energy Prediction, Multilayer Feedforward, Levenberg-Marquardt, Root Mean Square Error (RMSE)

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Authors: Kai-Ti Hsu, Hui-Ling Huang, Chun-Wei Tung, Yi-Hsiung Chen, Shinn-Ying Ho

Abstract:

Bioinformatics methods for predicting the T cell coreceptor usage from the array of membrane protein of HIV-1 are investigated. In this study, we aim to propose an effective prediction method for dealing with the three-class classification problem of CXCR4 (X4), CCR5 (R5) and CCR5/CXCR4 (R5X4). We made efforts in investigating the coreceptor prediction problem as follows: 1) proposing a feature set of informative physicochemical properties which is cooperated with SVM to achieve high prediction test accuracy of 81.48%, compared with the existing method with accuracy of 70.00%; 2) establishing a large up-to-date data set by increasing the size from 159 to 1225 sequences to verify the proposed prediction method where the mean test accuracy is 88.59%, and 3) analyzing the set of 14 informative physicochemical properties to further understand the characteristics of HIV-1coreceptors.

Keywords: Coreceptor, genetic algorithm, HIV-1, SVM, physicochemical properties, prediction.

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Authors: B. Al-Jenaibi

Abstract:

The paper examines the Most public relations spots and advertisements dealing with drugs. For this reason, public service advertisements show Americans in activities with drugs and alcohol. The way that the advertisements are produced, viewers from the Middle East say these ads are not for them. They recognize the ads as strictly for Americans trying to overcome their problems with drugs and alcohol. Also, this paper explores the development of the advertisements which are ineffective in other cultures like the Islamic because the limited scope of the message does not have a major effect on the Islamic beliefs and practices.

Keywords: Arab media campaign, Middle easy Advertisements, Islamic culture and American campaigns.

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Authors: Olusegun K. Afolabi, Emmanuel B. Oyewo

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Fluoroquinolones are a group of antibiotics widely used because of their broad spectrum activity against both Gram-positive and Gram-negative bacteria. In this study, ciprofloxacin and levofloxacin were administered to rats at therapeutic doses to evaluate their effects on plasma arylesterase activity, as well as, on hepatic advanced oxidized protein products (AOPPs) and malondialdehyde (MDA) levels, as measures of oxidative stress. Ciprofloxacin (80 mg/kg body weight) and levofloxacin (40 mg/kg body weight) were administered to male albino rats for 7 and 14 days. The data obtained demonstrated that plasma arylesterase activity was significantly decreased by both drugs with ciprofloxacin administration inhibiting the activity by 29% and 30% while Levofloxacin treatment resulted in 35% and 30% inhibition, after 7 and 14 days treatment respectively. Hepatic AOPP and MDA levels were both elevated by these antibiotics. This study supplies further evidence that fluoroquinolones at therapeutic doses promote oxidative stress.

Keywords: Arylesterase, Ciprofloxacin, Levofloxacin, Oxidative Stress.

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Authors: Zeeshan Hamid, Asher Ramish

Abstract:

The purpose of this paper is to focus on security and safety issues facing by pharmaceutical industry globally when counterfeit drugs are in question. Hence, there is an intense need to secure and authenticate pharmaceutical products in the emerging counterfeit product market. This paper will elaborate the application of radio frequency identification (RFID) in pharmaceutical industry and to identify its key benefits for patient’s care. The benefits are: help to co-ordinate the stream of supplies, accuracy in chains of supplies, maintaining trustworthy information, to manage the operations in appropriate and timely manners and finally deliver the genuine drug to patient. It is discussed that how RFID supported supply chain information sharing (SCIS) helps to combat against counterfeit drugs. And a solution how to tag pharmaceutical products; since, some products prevent RFID implementation in this industry. In this paper, a proposed model for pharma industry distribution suggested to combat against the counterfeit drugs when they are in supply chain.

Keywords: Supply chain, RFID, pharmaceutical industry, counterfeit drugs, patients care.

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Authors: Virupakshaiah DBM, Chandrakanth Kelmani, Rachanagouda Patil, Prasad Hegade

Abstract:

Severe acute respiratory syndrome (SARS) is a respiratory disease in humans which is caused by the SARS coronavirus. The treatment of coronavirus-associated SARS has been evolving and so far there is no consensus on an optimal regimen. The mainstream therapeutic interventions for SARS involve broad-spectrum antibiotics and supportive care, as well as antiviral agents and immunomodulatory therapy. The Protein- Ligand interaction plays a significant role in structural based drug designing. In the present work we have taken the receptor Angiotensin converting enzyme 2 and identified the drugs that are commonly used against SARS. They are Lopinavir, Ritonavir, Ribavirin, and Oseltamivir. The receptor Angiotensin converting enzyme 2 (ACE-2) was docked with above said drugs and the energy value obtained are as follows, Lopinavir (-292.3), Ritonavir (-325.6), Oseltamivir (- 229.1), Ribavirin (-208.8). Depending on the least energy value we have chosen the best two drugs out of the four conventional drugs. We tried to improve the binding efficiency and steric compatibility of the two drugs namely Ritonavir and Lopinavir. Several modifications were made to the probable functional groups (phenylic, ketonic groups in case of Ritonavir and carboxylic groups in case of Lopinavir respectively) which were interacting with the receptor molecule. Analogs were prepared by Marvin Sketch software and were docked using HEX docking software. Lopinavir analog 8 and Ritonavir analog 11 were detected with significant energy values and are probable lead molecule. It infers that some of the modified drugs are better than the original drugs. Further work can be carried out to improve the steric compatibility of the drug based upon the work done above for a more energy efficient binding of the drugs to the receptor.

Keywords: Protein data bank, Rasmol, Marvin sketch, Hexdocking.

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Authors: N. Z. A. Hamid, M. S. M. Noorani

Abstract:

This study is focused on the development of prediction models of the Ozone concentration time series. Prediction model is built based on chaotic approach. Firstly, the chaotic nature of the time series is detected by means of phase space plot and the Cao method. Then, the prediction model is built and the local linear approximation method is used for the forecasting purposes. Traditional prediction of autoregressive linear model is also built. Moreover, an improvement in local linear approximation method is also performed. Prediction models are applied to the hourly Ozone time series observed at the benchmark station in Malaysia. Comparison of all models through the calculation of mean absolute error, root mean squared error and correlation coefficient shows that the one with improved prediction method is the best. Thus, chaotic approach is a good approach to be used to develop a prediction model for the Ozone concentration time series.

Keywords: Chaotic approach, phase space, Cao method, local linear approximation method.

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