Search results for: molecular detection
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 5243

Search results for: molecular detection

4823 Using Combination of Sets of Features of Molecules for Aqueous Solubility Prediction: A Random Forest Model

Authors: Muhammet Baldan, Emel Timuçin

Abstract:

Generally, absorption and bioavailability increase if solubility increases; therefore, it is crucial to predict them in drug discovery applications. Molecular descriptors and Molecular properties are traditionally used for the prediction of water solubility. There are various key descriptors that are used for this purpose, namely Drogan Descriptors, Morgan Descriptors, Maccs keys, etc., and each has different prediction capabilities with differentiating successes between different data sets. Another source for the prediction of solubility is structural features; they are commonly used for the prediction of solubility. However, there are little to no studies that combine three or more properties or descriptors for prediction to produce a more powerful prediction model. Unlike available models, we used a combination of those features in a random forest machine learning model for improved solubility prediction to better predict and, therefore, contribute to drug discovery systems.

Keywords: solubility, random forest, molecular descriptors, maccs keys

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4822 Violence Detection and Tracking on Moving Surveillance Video Using Machine Learning Approach

Authors: Abe Degale D., Cheng Jian

Abstract:

When creating automated video surveillance systems, violent action recognition is crucial. In recent years, hand-crafted feature detectors have been the primary method for achieving violence detection, such as the recognition of fighting activity. Researchers have also looked into learning-based representational models. On benchmark datasets created especially for the detection of violent sequences in sports and movies, these methods produced good accuracy results. The Hockey dataset's videos with surveillance camera motion present challenges for these algorithms for learning discriminating features. Image recognition and human activity detection challenges have shown success with deep representation-based methods. For the purpose of detecting violent images and identifying aggressive human behaviours, this research suggested a deep representation-based model using the transfer learning idea. The results show that the suggested approach outperforms state-of-the-art accuracy levels by learning the most discriminating features, attaining 99.34% and 99.98% accuracy levels on the Hockey and Movies datasets, respectively.

Keywords: violence detection, faster RCNN, transfer learning and, surveillance video

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4821 Modern Spectrum Sensing Techniques for Cognitive Radio Networks: Practical Implementation and Performance Evaluation

Authors: Antoni Ivanov, Nikolay Dandanov, Nicole Christoff, Vladimir Poulkov

Abstract:

Spectrum underutilization has made cognitive radio a promising technology both for current and future telecommunications. This is due to the ability to exploit the unused spectrum in the bands dedicated to other wireless communication systems, and thus, increase their occupancy. The essential function, which allows the cognitive radio device to perceive the occupancy of the spectrum, is spectrum sensing. In this paper, the performance of modern adaptations of the four most widely used spectrum sensing techniques namely, energy detection (ED), cyclostationary feature detection (CSFD), matched filter (MF) and eigenvalues-based detection (EBD) is compared. The implementation has been accomplished through the PlutoSDR hardware platform and the GNU Radio software package in very low Signal-to-Noise Ratio (SNR) conditions. The optimal detection performance of the examined methods in a realistic implementation-oriented model is found for the common relevant parameters (number of observed samples, sensing time and required probability of false alarm).

Keywords: cognitive radio, dynamic spectrum access, GNU Radio, spectrum sensing

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4820 Mechanism of Melanin Inhibition of Morello Flavone- 7″- Sulphate and Sargaol extracts from Garcinia livingstonei (Clusiaceae): Homology Modelling, Molecular Docking, and Molecular Dynamics Simulations

Authors: Ncoza Dlova, Tivani Mashamba-Thompson

Abstract:

Garcinia livingstonei (Clusiaceae) extracts, morelloflavone- 7″- sulphate and sargaol were shown to be effective against hyper-pigmentation through inhibition of tyrosinase enzyme, in vitro . The aim of this study is to elucidate the structural mechanism through which morelloflavone- 7″- sulphate and sargaol binds human tyrosinase. Implementing a homology model to construct a tyrosinase model using the crystal structure of a functional unit from Octopus hemocyanin (PDB: 1JS8) as a reference template enabled us to create a human tyrosinase model. Molecular dynamics and binding free energy calculations were optimized to enable molecular dynamics simulation of the copper dependent inhibitors. Results show the importance of the hydrogen bond formation morelloflavone- 7″- sulphate and sargaol between compound and active site residues. Both complexes demonstrated the metallic coordination between compound and arginine residue as well as copper ions within the active site. The comprehensive molecular insight gained from this study should be vital in understanding the binding mechanism morelloflavone- 7″- sulphate and sargaol. Moreover, these results will assist in the design of novel of metal ion dependent enzyme inhibitors as potential anti-hyper-pigmentation disorder therapies.

Keywords: hyper-pigmentation disorders, dyschromia African skin, morelloflavone- 7″- sulphate, sagoal

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4819 Cracks Detection and Measurement Using VLP-16 LiDAR and Intel Depth Camera D435 in Real-Time

Authors: Xinwen Zhu, Xingguang Li, Sun Yi

Abstract:

Crack is one of the most common damages in buildings, bridges, roads and so on, which may pose safety hazards. However, cracks frequently happen in structures of various materials. Traditional methods of manual detection and measurement, which are known as subjective, time-consuming, and labor-intensive, are gradually unable to meet the needs of modern development. In addition, crack detection and measurement need be safe considering space limitations and danger. Intelligent crack detection has become necessary research. In this paper, an efficient method for crack detection and quantification using a 3D sensor, LiDAR, and depth camera is proposed. This method works even in a dark environment, which is usual in real-world applications. The LiDAR rapidly spins to scan the surrounding environment and discover cracks through lasers thousands of times per second, providing a rich, 3D point cloud in real-time. The LiDAR provides quite accurate depth information. The precision of the distance of each point can be determined within around  ±3 cm accuracy, and not only it is good for getting a precise distance, but it also allows us to see far of over 100m going with the top range models. But the accuracy is still large for some high precision structures of material. To make the depth of crack is much more accurate, the depth camera is in need. The cracks are scanned by the depth camera at the same time. Finally, all data from LiDAR and Depth cameras are analyzed, and the size of the cracks can be quantified successfully. The comparison shows that the minimum and mean absolute percentage error between measured and calculated width are about 2.22% and 6.27%, respectively. The experiments and results are presented in this paper.

Keywords: LiDAR, depth camera, real-time, detection and measurement

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4818 RGB Color Based Real Time Traffic Sign Detection and Feature Extraction System

Authors: Kay Thinzar Phu, Lwin Lwin Oo

Abstract:

In an intelligent transport system and advanced driver assistance system, the developing of real-time traffic sign detection and recognition (TSDR) system plays an important part in recent research field. There are many challenges for developing real-time TSDR system due to motion artifacts, variable lighting and weather conditions and situations of traffic signs. Researchers have already proposed various methods to minimize the challenges problem. The aim of the proposed research is to develop an efficient and effective TSDR in real time. This system proposes an adaptive thresholding method based on RGB color for traffic signs detection and new features for traffic signs recognition. In this system, the RGB color thresholding is used to detect the blue and yellow color traffic signs regions. The system performs the shape identify to decide whether the output candidate region is traffic sign or not. Lastly, new features such as termination points, bifurcation points, and 90’ angles are extracted from validated image. This system uses Myanmar Traffic Sign dataset.

Keywords: adaptive thresholding based on RGB color, blue color detection, feature extraction, yellow color detection

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4817 Generation of Automated Alarms for Plantwide Process Monitoring

Authors: Hyun-Woo Cho

Abstract:

Earlier detection of incipient abnormal operations in terms of plant-wide process management is quite necessary in order to improve product quality and process safety. And generating warning signals or alarms for operating personnel plays an important role in process automation and intelligent plant health monitoring. Various methodologies have been developed and utilized in this area such as expert systems, mathematical model-based approaches, multivariate statistical approaches, and so on. This work presents a nonlinear empirical monitoring methodology based on the real-time analysis of massive process data. Unfortunately, the big data includes measurement noises and unwanted variations unrelated to true process behavior. Thus the elimination of such unnecessary patterns of the data is executed in data processing step to enhance detection speed and accuracy. The performance of the methodology was demonstrated using simulated process data. The case study showed that the detection speed and performance was improved significantly irrespective of the size and the location of abnormal events.

Keywords: detection, monitoring, process data, noise

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4816 Traffic Light Detection Using Image Segmentation

Authors: Vaishnavi Shivde, Shrishti Sinha, Trapti Mishra

Abstract:

Traffic light detection from a moving vehicle is an important technology both for driver safety assistance functions as well as for autonomous driving in the city. This paper proposed a deep-learning-based traffic light recognition method that consists of a pixel-wise image segmentation technique and a fully convolutional network i.e., UNET architecture. This paper has used a method for detecting the position and recognizing the state of the traffic lights in video sequences is presented and evaluated using Traffic Light Dataset which contains masked traffic light image data. The first stage is the detection, which is accomplished through image processing (image segmentation) techniques such as image cropping, color transformation, segmentation of possible traffic lights. The second stage is the recognition, which means identifying the color of the traffic light or knowing the state of traffic light which is achieved by using a Convolutional Neural Network (UNET architecture).

Keywords: traffic light detection, image segmentation, machine learning, classification, convolutional neural networks

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4815 Towards Designing of a Potential New HIV-1 Protease Inhibitor Using Quantitative Structure-Activity Relationship Study in Combination with Molecular Docking and Molecular Dynamics Simulations

Authors: Mouna Baassi, Mohamed Moussaoui, Hatim Soufi, Sanchaita RajkhowaI, Ashwani Sharma, Subrata Sinha, Said Belaaouad

Abstract:

Human Immunodeficiency Virus type 1 protease (HIV-1 PR) is one of the most challenging targets of antiretroviral therapy used in the treatment of AIDS-infected people. The performance of protease inhibitors (PIs) is limited by the development of protease mutations that can promote resistance to the treatment. The current study was carried out using statistics and bioinformatics tools. A series of thirty-three compounds with known enzymatic inhibitory activities against HIV-1 protease was used in this paper to build a mathematical model relating the structure to the biological activity. These compounds were designed by software; their descriptors were computed using various tools, such as Gaussian, Chem3D, ChemSketch and MarvinSketch. Computational methods generated the best model based on its statistical parameters. The model’s applicability domain (AD) was elaborated. Furthermore, one compound has been proposed as efficient against HIV-1 protease with comparable biological activity to the existing ones; this drug candidate was evaluated using ADMET properties and Lipinski’s rule. Molecular Docking performed on Wild Type and Mutant Type HIV-1 proteases allowed the investigation of the interaction types displayed between the proteases and the ligands, Darunavir (DRV) and the new drug (ND). Molecular dynamics simulation was also used in order to investigate the complexes’ stability, allowing a comparative study of the performance of both ligands (DRV & ND). Our study suggested that the new molecule showed comparable results to that of Darunavir and may be used for further experimental studies. Our study may also be used as a pipeline to search and design new potential inhibitors of HIV-1 proteases.

Keywords: QSAR, ADMET properties, molecular docking, molecular dynamics simulation.

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4814 Feature Based Unsupervised Intrusion Detection

Authors: Deeman Yousif Mahmood, Mohammed Abdullah Hussein

Abstract:

The goal of a network-based intrusion detection system is to classify activities of network traffics into two major categories: normal and attack (intrusive) activities. Nowadays, data mining and machine learning plays an important role in many sciences; including intrusion detection system (IDS) using both supervised and unsupervised techniques. However, one of the essential steps of data mining is feature selection that helps in improving the efficiency, performance and prediction rate of proposed approach. This paper applies unsupervised K-means clustering algorithm with information gain (IG) for feature selection and reduction to build a network intrusion detection system. For our experimental analysis, we have used the new NSL-KDD dataset, which is a modified dataset for KDDCup 1999 intrusion detection benchmark dataset. With a split of 60.0% for the training set and the remainder for the testing set, a 2 class classifications have been implemented (Normal, Attack). Weka framework which is a java based open source software consists of a collection of machine learning algorithms for data mining tasks has been used in the testing process. The experimental results show that the proposed approach is very accurate with low false positive rate and high true positive rate and it takes less learning time in comparison with using the full features of the dataset with the same algorithm.

Keywords: information gain (IG), intrusion detection system (IDS), k-means clustering, Weka

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4813 DNA and DNA-Complexes Modified with Electromagnetic Radiation

Authors: Ewelina Nowak, Anna Wisla-Swider, Krzysztof Danel

Abstract:

Aqueous suspensions of DNA were illuminated with linearly polarized visible light and ultraviolet for 5, 15, 20 and 40 h. In order to check the nature of modification, DNA interactions were characterized by FTIR spectroscopy. For each illuminated sample, weight average molecular weight and hydrodynamic radius were measured by high pressure size exclusion chromatography. Resulting optical changes for illuminated DNA were investigated using UV-Vis spectra and photoluminescent. Optical properties show potential application in sensors based on modified DNA. Then selected DNA-surfactant complexes were illuminated with electromagnetic radiation for 5h. Molecular structure, optical characteristic were examinated for obtained complexes. Illumination led to changes of complexes physicochemical properties as compared with native DNA. Observed changes were induced by rearrangement of the molecular structure of DNA chains.

Keywords: biopolymers, deoxyribonucleic acid, ionic liquids, linearly polarized visible light, ultraviolet

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4812 Application of Learning Media Based Augmented Reality on Molecular Geometry Concept

Authors: F. S. Irwansyah, I. Farida, Y. Maulana

Abstract:

Studying chemistry requires the ability to understand three levels of understanding in the form of macroscopic, submicroscopic and symbolic, but the lack of emphasis on the submicroscopic level leads to the understanding of chemical concepts becoming incomplete, due to the limitations of the tools capable of providing visualization of submicroscopic concepts. The purpose of this study describes the stages of making augmented reality learning media on the concept of molecular geometry and analyze the feasibility test result of augmented reality learning media on the concept of molecular geometry. This research uses Research and Development (R & D) method which produces a product of AR learning media on molecular geometry concept and test the effectiveness of the product. Research stages include concept analysis and learning indicators, design development, validation, feasibility, and limited testing. The stages of validation and limited trial are aimed to get feedback in the form of assessment, suggestion and improvement on learning aspect, material substance aspect, visual communication aspect and software engineering aspects and media feasibility in terms of media creation purpose to be used in learning. The results of the overall feasibility test obtained r-calculation 0,7-0,9 with the interpretation of high feasibility value, whereas the result of limited trial got the percentage of eligibility with the average value equal to 70,83-92,5%. This percentage indicates that AR's learning media product on the concept of molecular geometry, deserves to be used as a learning resource.

Keywords: android, augmented reality, chemical learning, geometry

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4811 Anomaly Detection Based on System Log Data

Authors: M. Kamel, A. Hoayek, M. Batton-Hubert

Abstract:

With the increase of network virtualization and the disparity of vendors, the continuous monitoring and detection of anomalies cannot rely on static rules. An advanced analytical methodology is needed to discriminate between ordinary events and unusual anomalies. In this paper, we focus on log data (textual data), which is a crucial source of information for network performance. Then, we introduce an algorithm used as a pipeline to help with the pretreatment of such data, group it into patterns, and dynamically label each pattern as an anomaly or not. Such tools will provide users and experts with continuous real-time logs monitoring capability to detect anomalies and failures in the underlying system that can affect performance. An application of real-world data illustrates the algorithm.

Keywords: logs, anomaly detection, ML, scoring, NLP

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4810 First-Principles Study of Inter-Cage Interactions in Inorganic Molecular Crystals

Authors: Abdul Majid, Alia Jabeen, Nimra Zulifqar

Abstract:

The inorganic molecular crystal (IMCs) due to their unusual structure has grabbed a lot of attention due to anisotropy in crystal structure. The IMCs consist of the molecular structures joined together via weak forces. Therefore, a difference between the bonding between the inter-cage and intra-cage interactions exists. To look closely at the bonding and interactions, we investigated interactions between two cages of Sb2O3 structure. The interactions were characterized via Extended Transition State-Natural Orbital for Chemical Valence-method (ETS-NOCV), Natural Bond Orbitals (NBO) and Quantum Theory of Atoms in Molecules (QTAIM). The results revealed strong intra-cage covalent bonding while weak van der Waals (vdWs) interactions along inter-cages exits. This structure cannot be termed as layered material although they have anisotropy in bonding and presence of weak vdWs interactions but its bulk is termed as inorganic layered clusters. This is due to the fact that the free standing sheet/films with these materials are not possible. This type of structures may be the most feasible to be used for the system to deal with high pressures and stress bearing materials.

Keywords: inorganic molecular crystals, density functional theory, cages, interactions

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4809 Speech Detection Model Based on Deep Neural Networks Classifier for Speech Emotions Recognition

Authors: A. Shoiynbek, K. Kozhakhmet, P. Menezes, D. Kuanyshbay, D. Bayazitov

Abstract:

Speech emotion recognition has received increasing research interest all through current years. There was used emotional speech that was collected under controlled conditions in most research work. Actors imitating and artificially producing emotions in front of a microphone noted those records. There are four issues related to that approach, namely, (1) emotions are not natural, and it means that machines are learning to recognize fake emotions. (2) Emotions are very limited by quantity and poor in their variety of speaking. (3) There is language dependency on SER. (4) Consequently, each time when researchers want to start work with SER, they need to find a good emotional database on their language. In this paper, we propose the approach to create an automatic tool for speech emotion extraction based on facial emotion recognition and describe the sequence of actions of the proposed approach. One of the first objectives of the sequence of actions is a speech detection issue. The paper gives a detailed description of the speech detection model based on a fully connected deep neural network for Kazakh and Russian languages. Despite the high results in speech detection for Kazakh and Russian, the described process is suitable for any language. To illustrate the working capacity of the developed model, we have performed an analysis of speech detection and extraction from real tasks.

Keywords: deep neural networks, speech detection, speech emotion recognition, Mel-frequency cepstrum coefficients, collecting speech emotion corpus, collecting speech emotion dataset, Kazakh speech dataset

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4808 Microwave Tomography: The Analytical Treatment for Detecting Malignant Tumor Inside Human Body

Authors: Muhammad Hassan Khalil, Xu Jiadong

Abstract:

Early detection through screening is the best tool short of a perfect treatment against the malignant tumor inside the breast of a woman. By detecting cancer in its early stages, it can be recognized and treated before it has the opportunity to spread and change into potentially dangerous. Microwave tomography is a new imaging method based on contrast in dielectric properties of materials. The mathematical theory of microwave tomography involves solving an inverse problem for Maxwell’s equations. In this paper, we present designed antenna for breast cancer detection, which will use in microwave tomography configuration.

Keywords: microwave imaging, inverse scattering, breast cancer, malignant tumor detection

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4807 Comparing Nonverbal Deception Detection of Police Officers and Human Resources Students in the Czech Republic

Authors: Lenka Mynaříková, Hedvika Boukalová

Abstract:

The study looks at the ability to detect nonverbal deception among police officers and management students in the Czech Republic. Respondents from police departments (n=197) and university students of human resources (n=161) completed a deception detection task and evaluated veracity of the statements of suspects in 21 video clips from real crime investigations. Their evaluations were based on nonverbal behavior. Voices in the video clips were modified so that words were not recognizable, yet paraverbal voice characteristics were preserved. Results suggest that respondents have a tendency to lie bias based on their profession. In the evaluation of video clips, stereotypes also played a significant role. The statements of suspects of a different ethnicity, younger age or specific visual features were considered deceitful more often. Research might be beneficial for training in professions that are in need of deception detection techniques.

Keywords: deception detection, police officers, human resources, forensic psychology, forensic studies, organizational psychology

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4806 Electrochemical Sensor Based on Poly(Pyrogallol) for the Simultaneous Detection of Phenolic Compounds and Nitrite in Wastewater

Authors: Majid Farsadrooh, Najmeh Sabbaghi, Seyed Mohammad Mostashari, Abolhasan Moradi

Abstract:

Phenolic compounds are chief environmental contaminants on account of their hazardous and toxic nature on human health. The preparation of sensitive and potent chemosensors to monitor emerging pollution in water and effluent samples has received great consideration. A novel and versatile nanocomposite sensor based on poly pyrogallol is presented for the first time in this study, and its electrochemical behavior for simultaneous detection of hydroquinone (HQ), catechol (CT), and resorcinol (RS) in the presence of nitrite is evaluated. The physicochemical characteristics of the fabricated nanocomposite were investigated by emission-scanning electron microscopy (FE-SEM), energy-dispersive X-ray spectroscopy (EDS), and Brunauer-Emmett-Teller (BET). The electrochemical response of the proposed sensor to the detection of HQ, CT, RS, and nitrite is studied using cyclic voltammetry (CV), chronoamperometry (CA), differential pulse voltammetry (DPV), and electrochemical impedance spectroscopy (EIS). The kinetic characterization of the prepared sensor showed that both adsorption and diffusion processes can control reactions at the electrode. In the optimized conditions, the new chemosensor provides a wide linear range of 0.5-236.3, 0.8-236.3, 0.9-236.3, and 1.2-236.3 μM with a low limit of detection of 21.1, 51.4, 98.9, and 110.8 nM (S/N = 3) for HQ, CT and RS, and nitrite, respectively. Remarkably, the electrochemical sensor has outstanding selectivity, repeatability, and stability and is successfully employed for the detection of RS, CT, HQ, and nitrite in real water samples with the recovery of 96.2%–102.4%, 97.8%-102.6%, 98.0%–102.4% and 98.4%–103.2% for RS, CT, HQ, and nitrite, respectively. These outcomes illustrate that poly pyrogallol is a promising candidate for effective electrochemical detection of dihydroxybenzene isomers in the presence of nitrite.

Keywords: electrochemical sensor, poly pyrogallol, phenolic compounds, simultaneous determination

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4805 Preparation of Flurbiprofen Derivative for Enhanced Brain Penetration

Authors: Jungkyun Im

Abstract:

Nonsteroidal anti-inflammatory drugs (NSAIDs) are effective for relieving pain and reducing inflammation. They are nonselective inhibitors of two isoforms of COX, cyclooxygenase-1 (COX-1) and cyclooxygenase-2 (COX-2), and thereby inhibiting the production of hormone-like lipid compounds such as, prostaglandins and thromboxanes which cause inflammation, pain, fever, platelet aggregation, etc. In addition, recently there are many research articles reporting the neuroprotective effect of NSAIDs in neurodegenerative diseases, such as Alzheimer’s disease (AD) and Parkinson’s disease (PD). However, the clinical use of NSAIDs in these diseases is limited by low brain distribution. Therefore, in order to assist the in-depth investigation on the pharmaceutical mechanism of flurbiprofen in neuroprotection and to make flurbiprofen a more potent drug to prevent or alleviate neurodegenerative diseases, delivery of flurbiprofen to brain should be effective and sufficient amount of flurbiprofen must penetrate the BBB thus gaining access into the patient’s brain. We have recently developed several types of guanidine-rich molecular carriers with high molecular weights and good water solubility that readily cross the blood-brain barrier (BBB) and display efficient distributions in the mouse brain. The G8 (having eight guanidine groups) molecular carrier based on D-sorbitol was found to be very effective in delivering anticancer drugs to a mouse brain. In the present study, employing the same molecular carrier, we prepared the flurbiprofen conjugate and studied its BBB permeation by mouse tissue distribution study. Flurbiprofen was attached to a molecular carrier with a fluorescein probe and multiple terminal guanidiniums. The conjugate was found to internalize into live cells and readily cross the BBB to enter the mouse brain. Our novel synthetic flurbiprofen conjugate will hopefully delivery NSAIDs into brain, and is therefore applicable to the neurodegenerative diseases treatment or prevention.

Keywords: flurbiprofen, drug delivery, molecular carrier, organic synthesis

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4804 Gas Aggregation and Nanobubbles Stability on Substrates Influenced by Surface Wettability: A Molecular Dynamics Study

Authors: Tsu-Hsu Yen

Abstract:

The interfacial gas adsorption presents a frequent challenge and opportunity for micro-/nano-fluidic operation. In this study, we investigate the wettability, gas accumulation, and nanobubble formation on various homogeneous surface conditions by using MD simulation, including a series of 3D and quasi-2D argon-water-solid systems simulation. To precisely determine the wettability on various substrates, several indicators were calculated. Among these wettability indicators, the water PMF (potential of mean force) has the most correlation tendency with interfacial water molecular orientation than depletion layer width and droplet contact angle. The results reveal that the aggregation of argon molecules on substrates not only depending on the level of hydrophobicity but also determined by the competition between gas-solid and water-solid interaction as well as water molecular structure near the surface. In addition, the surface nanobubble is always observed coexisted with the gas enrichment layer. The water structure adjacent to water-gas and water-solid interfaces also plays an important factor in gas out-flux and gas aggregation, respectively. The quasi-2D simulation shows that only a slight difference in the curved argon-water interface from the plane interface which suggests no noticeable obstructing effect on gas outflux from the gas-water interfacial water networks.

Keywords: gas aggregation, interfacial nanobubble, molecular dynamics simulation, wettability

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4803 Effect of Low Temperature on Structure and RNA Binding of E.coli CspA: A Molecular Dynamics Based Study

Authors: Amit Chaudhary, B. S. Yadav, P. K. Maurya, A. M., S. Srivastava, S. Singh, A. Mani

Abstract:

Cold shock protein A (CspA) is major cold inducible protein present in Escherichia coli. The protein is involved in stabilizing secondary structure of RNA by working as chaperone during cold temperature. Two RNA binding motifs play key role in the stabilizing activity. This study aimed to investigate implications of low temperature on structure and RNA binding activity of E. coli CspA. Molecular dynamics simulations were performed to compare the stability of the protein at 37°C and 10 °C. The protein was mutated at RNA binding motifs and docked with RNA to assess the stability of both complexes. Results suggest that CspA as well as CspA-RNA complex is more stable at low temperature. It was also confirmed that RNP1 and RNP2 play key role in RNA binding.

Keywords: CspA, homology modelling, mutation, molecular dynamics simulation

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4802 Comparing Community Detection Algorithms in Bipartite Networks

Authors: Ehsan Khademi, Mahdi Jalili

Abstract:

Despite the special features of bipartite networks, they are common in many systems. Real-world bipartite networks may show community structure, similar to what one can find in one-mode networks. However, the interpretation of the community structure in bipartite networks is different as compared to one-mode networks. In this manuscript, we compare a number of available methods that are frequently used to discover community structure of bipartite networks. These networks are categorized into two broad classes. One class is the methods that, first, transfer the network into a one-mode network, and then apply community detection algorithms. The other class is the algorithms that have been developed specifically for bipartite networks. These algorithms are applied on a model network with prescribed community structure.

Keywords: community detection, bipartite networks, co-clustering, modularity, network projection, complex networks

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4801 Rapid, Label-Free, Direct Detection and Quantification of Escherichia coli Bacteria Using Nonlinear Acoustic Aptasensor

Authors: Shilpa Khobragade, Carlos Da Silva Granja, Niklas Sandström, Igor Efimov, Victor P. Ostanin, Wouter van der Wijngaart, David Klenerman, Sourav K. Ghosh

Abstract:

Rapid, label-free and direct detection of pathogenic bacteria is critical for the prevention of disease outbreaks. This paper for the first time attempts to probe the nonlinear acoustic response of quartz crystal resonator (QCR) functionalized with specific DNA aptamers for direct detection and quantification of viable E. coli KCTC 2571 bacteria. DNA aptamers were immobilized through biotin and streptavidin conjugation, onto the gold surface of QCR to capture the target bacteria and the detection was accomplished by shift in amplitude of the peak 3f signal (3 times the drive frequency) upon binding, when driven near fundamental resonance frequency. The developed nonlinear acoustic aptasensor system demonstrated better reliability than conventional resonance frequency shift and energy dissipation monitoring that were recorded simultaneously. This sensing system could directly detect 10⁽⁵⁾ cells/mL target bacteria within 30 min or less and had high specificity towards E. coli KCTC 2571 bacteria as compared to the same concentration of S.typhi bacteria. Aptasensor response was observed for the bacterial suspensions ranging from 10⁽⁵⁾-10⁽⁸⁾ cells/mL. Conclusively, this nonlinear acoustic aptasensor is simple to use, gives real-time output, cost-effective and has the potential for rapid, specific, label-free direction detection of bacteria.

Keywords: acoustic, aptasensor, detection, nonlinear

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4800 Hydrothermal Synthesis of Octahedral Molecular Sieve from Mn Oxide Residues

Authors: Irlana C. do Mar, Thayna A. Ferreira, Dayane S. Rezende, Bruno A. M. Figueira, José M. R. Mercury

Abstract:

This work presents a low-cost Mn starting material to synthesis manganese oxide octahedral molecular sieve with Mg²⁺ in the tunnel (Mg-OMS-1), based on the Mn residues from Carajás Mineral Province (Amazon, Brazil). After hydrothermal and cation exchange procedures, the Mn residues transformed to a single phase, Mg-OMS-1. The raw material and the synthesis processes were analyzed by means of X-ray diffraction (XRD), Scanning electron microscopy (SEM) and Infrared spectroscopy (FTIR). The tunnel structure was synthesized hydrothermally at 180 °C for three days without impurities. According to the XRD analysis, the formation of crystalline Mg-OMS-1 was identified through reflections at 9.8º, 12º and 18º (2θ), as well as a thermal stability around 300 ºC. The SEM analysis indicated that the final product presents good crystallinity with a homogeneous size. In addition, an intense and diagnostic FTIR band was identified at 515 cm⁻¹ related to the MnO₆ octahedral stretching vibrations.

Keywords: Mn residues , Octahedral Molecular Sieve, Synthesis, Characterization

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4799 Analysis of Collision Avoidance System

Authors: N. Gayathri Devi, K. Batri

Abstract:

The advent of technology has increased the traffic hazards and the road accidents take place. Collision detection system in automobile aims at reducing or mitigating the severity of an accident. This project aims at avoiding Vehicle head on collision by means of collision detection algorithm. This collision detection algorithm predicts the collision and the avoidance or minimization have to be done within few seconds on confirmation. Under critical situation collision minimization is made possible by turning the vehicle to the desired turn radius so that collision impact can be reduced. In order to avoid the collision completely, the turning of the vehicle should be achieved at reduced speed in order to maintain the stability.

Keywords: collision avoidance system, time to collision, time to turn, turn radius

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4798 Dual Mode “Turn On-Off-On” Photoluminescence Detection of EDTA and Lead Using Moringa Oleifera Gum-Derived Carbon Dots

Authors: Anisha Mandal, Swambabu Varanasi

Abstract:

Lead is one of the most prevalent toxic heavy metal ions, and its pollution poses a significant threat to the environment and human health. On the other hand, Ethylenediaminetetraacetic acid is a widely used metal chelating agent that, due to its poor biodegradability, is an incessant pollutant to the environment. For the first time, a green, simple, and cost-effective approach is used to hydrothermally synthesise photoluminescent carbon dots using Moringa Oleifera Gum in a single step. Then, using Moringa Oleifera Gum-derived carbon dots, a photoluminescent "ON-OFF-ON" mechanism for dual mode detection of trace Pb2+ and EDTA was proposed. MOG-CDs detect Pb2+ selectively and sensitively using a photoluminescence quenching mechanism, with a detection limit (LOD) of 0.000472 ppm. (1.24 nM). The quenched photoluminescence can be restored by adding EDTA to the MOG-CD+Pb2+ system; this strategy is used to quantify EDTA at a level of detection of 0.0026 ppm. (8.9 nM). The quantification of Pb2+ and EDTA in actual samples encapsulated the applicability and dependability of the proposed photoluminescent probe.

Keywords: carbon dots, photoluminescence, sensor, moringa oleifera gum

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4797 A Comprehensive Study of Camouflaged Object Detection Using Deep Learning

Authors: Khalak Bin Khair, Saqib Jahir, Mohammed Ibrahim, Fahad Bin, Debajyoti Karmaker

Abstract:

Object detection is a computer technology that deals with searching through digital images and videos for occurrences of semantic elements of a particular class. It is associated with image processing and computer vision. On top of object detection, we detect camouflage objects within an image using Deep Learning techniques. Deep learning may be a subset of machine learning that's essentially a three-layer neural network Over 6500 images that possess camouflage properties are gathered from various internet sources and divided into 4 categories to compare the result. Those images are labeled and then trained and tested using vgg16 architecture on the jupyter notebook using the TensorFlow platform. The architecture is further customized using Transfer Learning. Methods for transferring information from one or more of these source tasks to increase learning in a related target task are created through transfer learning. The purpose of this transfer of learning methodologies is to aid in the evolution of machine learning to the point where it is as efficient as human learning.

Keywords: deep learning, transfer learning, TensorFlow, camouflage, object detection, architecture, accuracy, model, VGG16

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4796 Grain Boundary Detection Based on Superpixel Merges

Authors: Gaokai Liu

Abstract:

The distribution of material grain sizes reflects the strength, fracture, corrosion and other properties, and the grain size can be acquired via the grain boundary. In recent years, the automatic grain boundary detection is widely required instead of complex experimental operations. In this paper, an effective solution is applied to acquire the grain boundary of material images. First, the initial superpixel segmentation result is obtained via a superpixel approach. Then, a region merging method is employed to merge adjacent regions based on certain similarity criterions, the experimental results show that the merging strategy improves the superpixel segmentation result on material datasets.

Keywords: grain boundary detection, image segmentation, material images, region merging

Procedia PDF Downloads 156
4795 Naturally Occurring Chemicals in Biopesticides' Resistance Control through Molecular Topology

Authors: Riccardo Zanni, Maria Galvez-Llompart, Ramon Garcia-Domenech, Jorge Galvez

Abstract:

Biopesticides, such as naturally occurring chemicals, pheromones, fungi, bacteria and insect predators are often a winning choice in crop protection because of their environmental friendly profile. They are considered to have lower toxicity than traditional pesticides. After almost a century of pesticides use, resistances to traditional insecticides are wide spread, while those to bioinsecticides have raised less attention, and resistance management is frequently neglected. This seems to be a crucial mistake since resistances have already occurred for many marketed biopesticides. With an eye to the future, we present here a selection of new natural occurring chemicals as potential bioinsecticides. The molecules were selected using a consolidated mathematical paradigm called molecular topology. Several QSAR equations were depicted and subsequently applied for the virtual screening of hundred thousands molecules of natural origin, which resulted in the selection of new potential bioinsecticides. The most innovative aspect of this work does not only reside in the importance of the identification of new molecules overcoming biopesticides’ resistances, but on the possibility to promote shared knowledge in the field of green chemistry through this unique in silico discipline named molecular topology.

Keywords: green chemistry, QSAR, molecular topology, biopesticide

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4794 Anatomical Survey for Text Pattern Detection

Authors: S. Tehsin, S. Kausar

Abstract:

The ultimate aim of machine intelligence is to explore and materialize the human capabilities, one of which is the ability to detect various text objects within one or more images displayed on any canvas including prints, videos or electronic displays. Multimedia data has increased rapidly in past years. Textual information present in multimedia contains important information about the image/video content. However, it needs to technologically testify the commonly used human intelligence of detecting and differentiating the text within an image, for computers. Hence in this paper feature set based on anatomical study of human text detection system is proposed. Subsequent examination bears testimony to the fact that the features extracted proved instrumental to text detection.

Keywords: biologically inspired vision, content based retrieval, document analysis, text extraction

Procedia PDF Downloads 435