Search results for: molecular data
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 26600

Search results for: molecular data

25640 From Data Processing to Experimental Design and Back Again: A Parameter Identification Problem Based on FRAP Images

Authors: Stepan Papacek, Jiri Jablonsky, Radek Kana, Ctirad Matonoha, Stefan Kindermann

Abstract:

FRAP (Fluorescence Recovery After Photobleaching) is a widely used measurement technique to determine the mobility of fluorescent molecules within living cells. While the experimental setup and protocol for FRAP experiments are usually fixed, data processing part is still under development. In this paper, we formulate and solve the problem of data selection which enhances the processing of FRAP images. We introduce the concept of the irrelevant data set, i.e., the data which are almost not reducing the confidence interval of the estimated parameters and thus could be neglected. Based on sensitivity analysis, we both solve the problem of the optimal data space selection and we find specific conditions for optimizing an important experimental design factor, e.g., the radius of bleach spot. Finally, a theorem announcing less precision of the integrated data approach compared to the full data case is proven; i.e., we claim that the data set represented by the FRAP recovery curve lead to a larger confidence interval compared to the spatio-temporal (full) data.

Keywords: FRAP, inverse problem, parameter identification, sensitivity analysis, optimal experimental design

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25639 Exploring the Feasibility of Utilizing Blockchain in Cloud Computing and AI-Enabled BIM for Enhancing Data Exchange in Construction Supply Chain Management

Authors: Tran Duong Nguyen, Marwan Shagar, Qinghao Zeng, Aras Maqsoodi, Pardis Pishdad, Eunhwa Yang

Abstract:

Construction supply chain management (CSCM) involves the collaboration of many disciplines and actors, which generates vast amounts of data. However, inefficient, fragmented, and non-standardized data storage often hinders this data exchange. The industry has adopted building information modeling (BIM) -a digital representation of a facility's physical and functional characteristics to improve collaboration, enhance transmission security, and provide a common data exchange platform. Still, the volume and complexity of data require tailored information categorization, aligning with stakeholders' preferences and demands. To address this, artificial intelligence (AI) can be integrated to handle this data’s magnitude and complexities. This research aims to develop an integrated and efficient approach for data exchange in CSCM by utilizing AI. The paper covers five main objectives: (1) Investigate existing framework and BIM adoption; (2) Identify challenges in data exchange; (3) Propose an integrated framework; (4) Enhance data transmission security; and (5) Develop data exchange in CSCM. The proposed framework demonstrates how integrating BIM and other technologies, such as cloud computing, blockchain, and AI applications, can significantly improve the efficiency and accuracy of data exchange in CSCM.

Keywords: construction supply chain management, BIM, data exchange, artificial intelligence

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25638 Representation Data without Lost Compression Properties in Time Series: A Review

Authors: Nabilah Filzah Mohd Radzuan, Zalinda Othman, Azuraliza Abu Bakar, Abdul Razak Hamdan

Abstract:

Uncertain data is believed to be an important issue in building up a prediction model. The main objective in the time series uncertainty analysis is to formulate uncertain data in order to gain knowledge and fit low dimensional model prior to a prediction task. This paper discusses the performance of a number of techniques in dealing with uncertain data specifically those which solve uncertain data condition by minimizing the loss of compression properties.

Keywords: compression properties, uncertainty, uncertain time series, mining technique, weather prediction

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25637 Data Mining As A Tool For Knowledge Management: A Review

Authors: Maram Saleh

Abstract:

Knowledge has become an essential resource in today’s economy and become the most important asset of maintaining competition advantage in organizations. The importance of knowledge has made organizations to manage their knowledge assets and resources through all multiple knowledge management stages such as: Knowledge Creation, knowledge storage, knowledge sharing and knowledge use. Researches on data mining are continues growing over recent years on both business and educational fields. Data mining is one of the most important steps of the knowledge discovery in databases process aiming to extract implicit, unknown but useful knowledge and it is considered as significant subfield in knowledge management. Data miming have the great potential to help organizations to focus on extracting the most important information on their data warehouses. Data mining tools and techniques can predict future trends and behaviors, allowing businesses to make proactive, knowledge-driven decisions. This review paper explores the applications of data mining techniques in supporting knowledge management process as an effective knowledge discovery technique. In this paper, we identify the relationship between data mining and knowledge management, and then focus on introducing some application of date mining techniques in knowledge management for some real life domains.

Keywords: Data Mining, Knowledge management, Knowledge discovery, Knowledge creation.

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25636 Polyimide Supported Membrane Made of 2D-Coordination-Crosslinked Polyimide for Rapid Molecular Separation in Multi-Solvent Environments

Authors: Netsanet Kebede Hundessa

Abstract:

Substrate modification of thin film composite (TFC) membranes with various crosslinkers is typically necessary for organic solvent nanofiltration (OSN) applications. This modification is aimed at enhancing membrane stability and solvent resistance, but it often results in a decline in permeance. This study introduces a distinct approach by developing a coordination-crosslinked polyimide substrate, which differs from the covalently-crosslinked substrates traditionally used. This developed substrate achieves enhanced solvent resistance, improved hydrophilicity, and optimized porous microstructure simultaneously. The study investigates the effects of an alkaline coagulation bath, subsequent ion exchange, and further solvent activation. The resulting TFC membrane successfully overcomes the typical permeability-selectivity trade-off of OSN membranes. It demonstrates significantly improved solvent permeance (1.5–2 times higher than previously reported data) with values of 65.2 LMH/bar for methanol, 33.1 LMH/bar for ethanol, and 59.1 LMH/bar for acetone while maintaining competitive solute rejection (>98% for Rose Bengal). This research is expected to provide a new direction for developing high-performance OSN composite membranes and other separation applications.

Keywords: metal coordinatiom, thin film composite membrane, organic solvent nanofiltration, solvent activation

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25635 Biochemical Characterization of CTX-M-15 from Enterobacter cloacae and Designing a Novel Non-β-Lactam-β-Lactamase Inhibitor

Authors: Mohammad Faheem, M. Tabish Rehman, Mohd Danishuddin, Asad U. Khan

Abstract:

The worldwide dissemination of CTX-M type β-lactamases is a threat to human health. Previously, we have reported the spread of blaCTX-M-15 gene in different clinical strains of Enterobacteriaceae from the hospital settings of Aligarh in north India. In view of the varying resistance pattern against cephalosporins and other β-lactam antibiotics, we intended to understand the correlation between MICs and catalytic activity of CTX-M-15. In this study, steady-state kinetic parameters and MICs were determined on E. coli DH5α transformed with blaCTX-M-15 gene that was cloned from Enterobacter cloacae (EC-15) strain of clinical background. The effect of conventional β-lactamase inhibitors (clavulanic acid, sulbactam and tazobactam) on CTX-M-15 was also studied. We have found that tazobactam is the best among these inhibitors against CTX-M-15. The inhibition characteristic of tazobactam is defined by its very low IC50 value (6 nM), high affinity (Ki = 0.017 µM) and better acylation efficiency (k+2/K9 = 0.44 µM-1s-1). It forms an acyl-enzyme covalent complex, which is quite stable (k+3 = 0.0057 s-1). Since increasing resistance has been reported against conventional b-lactam antibiotic-inhibitor combinations, we aspire to design a non-b-lactam core containing b-lactamase inhibitor. For this, we screened ZINC database and performed molecular docking to identify a potential non-β-lactam based inhibitor (ZINC03787097). The MICs of cephalosporin antibiotics in combination with this inhibitor gave promising results. Steady-state kinetics and molecular docking studies showed that ZINC03787097 is a reversible inhibitor which binds non-covalently to the active site of the enzyme through hydrogen bonds and hydrophobic interactions. Though, it’s IC50 (180 nM) is much higher than tazobactam, it has good affinity for CTX-M-15 (Ki = 0.388 µM). This study concludes that ZINC03787097 compound can be used as seed molecule to design more efficient non-b-lactam containing b-lactamase inhibitor that could evade pre-existing bacterial resistance mechanisms.

Keywords: ESBL, non-b-lactam-b-lactamase inhibitor, bioinformatics, biomedicine

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25634 Anomaly Detection Based Fuzzy K-Mode Clustering for Categorical Data

Authors: Murat Yazici

Abstract:

Anomalies are irregularities found in data that do not adhere to a well-defined standard of normal behavior. The identification of outliers or anomalies in data has been a subject of study within the statistics field since the 1800s. Over time, a variety of anomaly detection techniques have been developed in several research communities. The cluster analysis can be used to detect anomalies. It is the process of associating data with clusters that are as similar as possible while dissimilar clusters are associated with each other. Many of the traditional cluster algorithms have limitations in dealing with data sets containing categorical properties. To detect anomalies in categorical data, fuzzy clustering approach can be used with its advantages. The fuzzy k-Mode (FKM) clustering algorithm, which is one of the fuzzy clustering approaches, by extension to the k-means algorithm, is reported for clustering datasets with categorical values. It is a form of clustering: each point can be associated with more than one cluster. In this paper, anomaly detection is performed on two simulated data by using the FKM cluster algorithm. As a significance of the study, the FKM cluster algorithm allows to determine anomalies with their abnormality degree in contrast to numerous anomaly detection algorithms. According to the results, the FKM cluster algorithm illustrated good performance in the anomaly detection of data, including both one anomaly and more than one anomaly.

Keywords: fuzzy k-mode clustering, anomaly detection, noise, categorical data

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25633 Big Data Analytics and Data Security in the Cloud via Fully Homomorphic Encyption Scheme

Authors: Victor Onomza Waziri, John K. Alhassan, Idris Ismaila, Noel Dogonyara

Abstract:

This paper describes the problem of building secure computational services for encrypted information in the Cloud. Computing without decrypting the encrypted data; therefore, it meets the yearning of computational encryption algorithmic aspiration model that could enhance the security of big data for privacy or confidentiality, availability and integrity of the data and user’s security. The cryptographic model applied for the computational process of the encrypted data is the Fully Homomorphic Encryption Scheme. We contribute a theoretical presentations in a high-level computational processes that are based on number theory that is derivable from abstract algebra which can easily be integrated and leveraged in the Cloud computing interface with detail theoretic mathematical concepts to the fully homomorphic encryption models. This contribution enhances the full implementation of big data analytics based on cryptographic security algorithm.

Keywords: big data analytics, security, privacy, bootstrapping, Fully Homomorphic Encryption Scheme

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25632 Analysis of Cannabinol and Cannabidiol affinity with GBRA1

Authors: Hamid Hossein Khezri, Afsaneh Javdani-Mallak

Abstract:

Fast inhibitory neurotransmission in the mammalian nervous system is largely mediated by GABAA receptors, chloride-selective members of the superfamily of pentameric Cys-loop receptors. Cannabidiol (CBD) is one of the members of cannabinoid compounds found in cannabis. CBD and Cannabinol (CBN), as the other extract of plant Cannabis were able to reduce myofascial pain in rats with immunosuppressive and anti-inflammatory activities. In this study, we accomplished protein-protein BLAST, and the sequence was found to be for Gamma-aminobutyric acid receptor subunit alpha-1 (GBRA1) chain A and its 3D structure was subsequently downloaded from Protein Data Bank. The structures of the ligands, cannabinol, and cannabidiol, were obtained from PubChem. After the necessary process of the obtained files, AutoDock Vina was used to perform molecular docking. Docking between the ligands and GBRA1 chain A revealed that cannabinol has a higher affinity to GBRA1 (binding energy = -7.5 kcal/mol) compared to cannabidiol (binding energy = -6.5 kcal/mol). Furthermore, cannabinol seems to be able to interact with 10 residues of the protein, out of which 3 are in the neurotransmitter-gated ion-channel transmembrane domain of GBRA1, whereas cannabidiol interacts with two other residues. Although the results of this project do not indicate the activating /or inhibitory capability of the studied compounds, it suggests that cannabinol can act as a relatively strong ligand for GBRA1.

Keywords: protein-ligand docking, cannabinol, cannabidiol, GBRA1

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25631 Identification of Deposition Sequences of the Organic Content of Lower Albian-Cenomanian Age in Northern Tunisia: Correlation between Molecular and Stratigraphic Fossils

Authors: Tahani Hallek, Dhaou Akrout, Riadh Ahmadi, Mabrouk Montacer

Abstract:

The present work is an organic geochemical study of the Fahdene Formation outcrops at the Mahjouba region belonging to the Eastern part of the Kalaat Senan structure in northwestern Tunisia (the Kef-Tedjerouine area). The analytical study of the organic content of the samples collected, allowed us to point out that the Formation in question is characterized by an average to good oil potential. This fossilized organic matter has a mixed origin (type II and III), as indicated by the relatively high values of hydrogen index. This origin is confirmed by the C29 Steranes abundance and also by tricyclic terpanes C19/(C19+C23) and tetracyclic terpanes C24/(C24+C23) ratios, that suggest a marine environment of deposit with high plants contribution. We have demonstrated that the heterogeneity of organic matter between the marine aspect, confirmed by the presence of foraminifera, and the continental contribution, is the result of an episodic anomaly in relation to the sequential stratigraphy. Given that the study area is defined as an outer platform forming a transition zone between a stable continental domain to the south and a deep basin to the north, we have explained the continental contribution by successive forced regressions, having blocked the albian transgression, allowing the installation of the lowstand system tracts. This aspect is represented by the incised valleys filling, in direct contact with the pelagic and deep sea facies. Consequently, the Fahdene Formation, in the Kef-Tedjerouine area, consists of transgressive system tracts (TST) brutally truncated by extras of continental progradation; resulting in a mixed influence deposition having retained a heterogeneous organic material.

Keywords: molecular geochemistry, biomarkers, forced regression, deposit environment, mixed origin, Northern Tunisia

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25630 An Approximation of Daily Rainfall by Using a Pixel Value Data Approach

Authors: Sarisa Pinkham, Kanyarat Bussaban

Abstract:

The research aims to approximate the amount of daily rainfall by using a pixel value data approach. The daily rainfall maps from the Thailand Meteorological Department in period of time from January to December 2013 were the data used in this study. The results showed that this approach can approximate the amount of daily rainfall with RMSE=3.343.

Keywords: daily rainfall, image processing, approximation, pixel value data

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25629 A Next-Generation Blockchain-Based Data Platform: Leveraging Decentralized Storage and Layer 2 Scaling for Secure Data Management

Authors: Kenneth Harper

Abstract:

The rapid growth of data-driven decision-making across various industries necessitates advanced solutions to ensure data integrity, scalability, and security. This study introduces a decentralized data platform built on blockchain technology to improve data management processes in high-volume environments such as healthcare and financial services. The platform integrates blockchain networks using Cosmos SDK and Polkadot Substrate alongside decentralized storage solutions like IPFS and Filecoin, and coupled with decentralized computing infrastructure built on top of Avalanche. By leveraging advanced consensus mechanisms, we create a scalable, tamper-proof architecture that supports both structured and unstructured data. Key features include secure data ingestion, cryptographic hashing for robust data lineage, and Zero-Knowledge Proof mechanisms that enhance privacy while ensuring compliance with regulatory standards. Additionally, we implement performance optimizations through Layer 2 scaling solutions, including ZK-Rollups, which provide low-latency data access and trustless data verification across a distributed ledger. The findings from this exercise demonstrate significant improvements in data accessibility, reduced operational costs, and enhanced data integrity when tested in real-world scenarios. This platform reference architecture offers a decentralized alternative to traditional centralized data storage models, providing scalability, security, and operational efficiency.

Keywords: blockchain, cosmos SDK, decentralized data platform, IPFS, ZK-Rollups

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25628 The Effect of Measurement Distribution on System Identification and Detection of Behavior of Nonlinearities of Data

Authors: Mohammad Javad Mollakazemi, Farhad Asadi, Aref Ghafouri

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In this paper, we considered and applied parametric modeling for some experimental data of dynamical system. In this study, we investigated the different distribution of output measurement from some dynamical systems. Also, with variance processing in experimental data we obtained the region of nonlinearity in experimental data and then identification of output section is applied in different situation and data distribution. Finally, the effect of the spanning the measurement such as variance to identification and limitation of this approach is explained.

Keywords: Gaussian process, nonlinearity distribution, particle filter, system identification

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25627 Building a Scalable Telemetry Based Multiclass Predictive Maintenance Model in R

Authors: Jaya Mathew

Abstract:

Many organizations are faced with the challenge of how to analyze and build Machine Learning models using their sensitive telemetry data. In this paper, we discuss how users can leverage the power of R without having to move their big data around as well as a cloud based solution for organizations willing to host their data in the cloud. By using ScaleR technology to benefit from parallelization and remote computing or R Services on premise or in the cloud, users can leverage the power of R at scale without having to move their data around.

Keywords: predictive maintenance, machine learning, big data, cloud based, on premise solution, R

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25626 Trusting the Big Data Analytics Process from the Perspective of Different Stakeholders

Authors: Sven Gehrke, Johannes Ruhland

Abstract:

Data is the oil of our time, without them progress would come to a hold [1]. On the other hand, the mistrust of data mining is increasing [2]. The paper at hand shows different aspects of the concept of trust and describes the information asymmetry of the typical stakeholders of a data mining project using the CRISP-DM phase model. Based on the identified influencing factors in relation to trust, problematic aspects of the current approach are verified using various interviews with the stakeholders. The results of the interviews confirm the theoretically identified weak points of the phase model with regard to trust and show potential research areas.

Keywords: trust, data mining, CRISP DM, stakeholder management

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25625 Wireless Transmission of Big Data Using Novel Secure Algorithm

Authors: K. Thiagarajan, K. Saranya, A. Veeraiah, B. Sudha

Abstract:

This paper presents a novel algorithm for secure, reliable and flexible transmission of big data in two hop wireless networks using cooperative jamming scheme. Two hop wireless networks consist of source, relay and destination nodes. Big data has to transmit from source to relay and from relay to destination by deploying security in physical layer. Cooperative jamming scheme determines transmission of big data in more secure manner by protecting it from eavesdroppers and malicious nodes of unknown location. The novel algorithm that ensures secure and energy balance transmission of big data, includes selection of data transmitting region, segmenting the selected region, determining probability ratio for each node (capture node, non-capture and eavesdropper node) in every segment, evaluating the probability using binary based evaluation. If it is secure transmission resume with the two- hop transmission of big data, otherwise prevent the attackers by cooperative jamming scheme and transmit the data in two-hop transmission.

Keywords: big data, two-hop transmission, physical layer wireless security, cooperative jamming, energy balance

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25624 One Step Further: Pull-Process-Push Data Processing

Authors: Romeo Botes, Imelda Smit

Abstract:

In today’s modern age of technology vast amounts of data needs to be processed in real-time to keep users satisfied. This data comes from various sources and in many formats, including electronic and mobile devices such as GPRS modems and GPS devices. They make use of different protocols including TCP, UDP, and HTTP/s for data communication to web servers and eventually to users. The data obtained from these devices may provide valuable information to users, but are mostly in an unreadable format which needs to be processed to provide information and business intelligence. This data is not always current, it is mostly historical data. The data is not subject to implementation of consistency and redundancy measures as most other data usually is. Most important to the users is that the data are to be pre-processed in a readable format when it is entered into the database. To accomplish this, programmers build processing programs and scripts to decode and process the information stored in databases. Programmers make use of various techniques in such programs to accomplish this, but sometimes neglect the effect some of these techniques may have on database performance. One of the techniques generally used,is to pull data from the database server, process it and push it back to the database server in one single step. Since the processing of the data usually takes some time, it keeps the database busy and locked for the period of time that the processing takes place. Because of this, it decreases the overall performance of the database server and therefore the system’s performance. This paper follows on a paper discussing the performance increase that may be achieved by utilizing array lists along with a pull-process-push data processing technique split in three steps. The purpose of this paper is to expand the number of clients when comparing the two techniques to establish the impact it may have on performance of the CPU storage and processing time.

Keywords: performance measures, algorithm techniques, data processing, push data, process data, array list

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25623 Molecular Dynamics Simulation of Realistic Biochar Models with Controlled Microporosity

Authors: Audrey Ngambia, Ondrej Masek, Valentina Erastova

Abstract:

Biochar is an amorphous carbon-rich material generated from the pyrolysis of biomass with multifarious properties and functionality. Biochar has shown proven applications in the treatment of flue gas and organic and inorganic pollutants in soil and water/wastewater as a result of its multiple surface functional groups and porous structures. These properties have also shown potential in energy storage and carbon capture. The availability of diverse sources of biomass to produce biochar has increased interest in it as a sustainable and environmentally friendly material. The properties and porous structures of biochar vary depending on the type of biomass and high heat treatment temperature (HHT). Biochars produced at HHT between 400°C – 800°C generally have lower H/C and O/C ratios, higher porosities, larger pore sizes and higher surface areas with temperature. While all is known experimentally, there is little knowledge on the porous role structure and functional groups play on processes occurring at the atomistic scale, which are extremely important for the optimization of biochar for application, especially in the adsorption of gases. Atomistic simulations methods have shown the potential to generate such amorphous materials; however, most of the models available are composed of only carbon atoms or graphitic sheets, which are very dense or with simple slit pores, all of which ignore the important role of heteroatoms such as O, N, S and pore morphologies. Hence, developing realistic models that integrate these parameters are important to understand their role in governing adsorption mechanisms that will aid in guiding the design and optimization of biochar materials for target applications. In this work, molecular dynamics simulations in the isobaric ensemble are used to generate realistic biochar models taking into account experimentally determined H/C, O/C, N/C, aromaticity, micropore size range, micropore volumes and true densities of biochars. A pore generation approach was developed using virtual atoms, which is a Lennard-Jones sphere of varying van der Waals radius and softness. Its interaction via a soft-core potential with the biochar matrix allows the creation of pores with rough surfaces while varying the van der Waals radius parameters gives control to the pore-size distribution. We focused on microporosity, creating average pore sizes of 0.5 - 2 nm in diameter and pore volumes in the range of 0.05 – 1 cm3/g, which corresponds to experimental gas adsorption micropore sizes of amorphous porous biochars. Realistic biochar models with surface functionalities, micropore size distribution and pore morphologies were developed, and they could aid in the study of adsorption processes in confined micropores.

Keywords: biochar, heteroatoms, micropore size, molecular dynamics simulations, surface functional groups, virtual atoms

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25622 Adsorbed Probe Molecules on Surface for Analyzing the Properties of Cu/SnO2 Supported Catalysts

Authors: Neha Thakur, Pravin S. More

Abstract:

The interaction of CO, H2 and LPG with Cu-dosed SnO2 catalysts was studied by means of Fourier transform infrared spectroscopy (FTIR). With increasing Cu loading, pronounced and progressive red shifts of the C–O stretching frequency associated with molecular CO adsorbed on the Cu/SnO2 component were observed. This decrease in n(CO) correlates with enhancement of CO dissociation at higher temperatures on Cu promoted SnO2 catalysts under conditions, where clean Cu is almost ineffective. In the conclusion, the capability of our technique is discussed, and a technique for enhancing the sensitivity in our technique is proposed.

Keywords: FTIR, spectroscopic, dissociation, n(CO)

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25621 Extreme Temperature Forecast in Mbonge, Cameroon Through Return Level Analysis of the Generalized Extreme Value (GEV) Distribution

Authors: Nkongho Ayuketang Arreyndip, Ebobenow Joseph

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In this paper, temperature extremes are forecast by employing the block maxima method of the generalized extreme value (GEV) distribution to analyse temperature data from the Cameroon Development Corporation (CDC). By considering two sets of data (raw data and simulated data) and two (stationary and non-stationary) models of the GEV distribution, return levels analysis is carried out and it was found that in the stationary model, the return values are constant over time with the raw data, while in the simulated data the return values show an increasing trend with an upper bound. In the non-stationary model, the return levels of both the raw data and simulated data show an increasing trend with an upper bound. This clearly shows that although temperatures in the tropics show a sign of increase in the future, there is a maximum temperature at which there is no exceedance. The results of this paper are very vital in agricultural and environmental research.

Keywords: forecasting, generalized extreme value (GEV), meteorology, return level

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25620 A Strategy for Reducing Dynamic Disorder in Small Molecule Organic Semiconductors by Suppressing Large Amplitude Thermal Motions

Authors: Steffen Illig, Alexander S. Eggeman, Alessandro Troisi, Stephen G. Yeates, John E. Anthony, Henning Sirringhaus

Abstract:

Large-amplitude intermolecular vibrations in combination with complex shaped transfer integrals generate a thermally fluctuating energetic landscape. The resulting dynamic disorder and its intrinsic presence in organic semiconductors is one of the most fundamental differences to their inorganic counterparts. Dynamic disorder is believed to govern many of the unique electrical and optical properties of organic systems. However, the low energy nature of these vibrations makes it difficult to access them experimentally and because of this we still lack clear molecular design rules to control and reduce dynamic disorder. Applying a novel technique based on electron diffraction we encountered strong intermolecular, thermal vibrations in every single organic material we studied (14 up to date), indicating that a large degree of dynamic disorder is a universal phenomenon in organic crystals. In this paper a new molecular design strategy will be presented to avoid dynamic disorder. We found that small molecules that have their side chains attached to the long axis of their conjugated core have been found to be less likely to suffer from dynamic disorder effects. In particular, we demonstrate that 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothio-phene (C8-BTBT) and 2,9-di-decyl-dinaphtho-[2,3-b:20,30-f]-thieno-[3,2-b]-thiophene (C10DNTT) exhibit strongly reduced thermal vibrations in comparison to other molecules and relate their outstanding performance to their lower dynamic disorder. We rationalize the low degree of dynamic disorder in C8-BTBT and C10-DNTT with a better encapsulation of the conjugated cores in the crystal structure which helps reduce large amplitude thermal motions. The work presented in this paper provides a general strategy for the design of new classes of very high mobility organic semiconductors with low dynamic disorder.

Keywords: charge transport, C8-BTBT, C10-DNTT, dynamic disorder, organic semiconductors, thermal vibrations

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25619 Impact of Stack Caches: Locality Awareness and Cost Effectiveness

Authors: Abdulrahman K. Alshegaifi, Chun-Hsi Huang

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Treating data based on its location in memory has received much attention in recent years due to its different properties, which offer important aspects for cache utilization. Stack data and non-stack data may interfere with each other’s locality in the data cache. One of the important aspects of stack data is that it has high spatial and temporal locality. In this work, we simulate non-unified cache design that split data cache into stack and non-stack caches in order to maintain stack data and non-stack data separate in different caches. We observe that the overall hit rate of non-unified cache design is sensitive to the size of non-stack cache. Then, we investigate the appropriate size and associativity for stack cache to achieve high hit ratio especially when over 99% of accesses are directed to stack cache. The result shows that on average more than 99% of stack cache accuracy is achieved by using 2KB of capacity and 1-way associativity. Further, we analyze the improvement in hit rate when adding small, fixed, size of stack cache at level1 to unified cache architecture. The result shows that the overall hit rate of unified cache design with adding 1KB of stack cache is improved by approximately, on average, 3.9% for Rijndael benchmark. The stack cache is simulated by using SimpleScalar toolset.

Keywords: hit rate, locality of program, stack cache, stack data

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25618 Autonomic Threat Avoidance and Self-Healing in Database Management System

Authors: Wajahat Munir, Muhammad Haseeb, Adeel Anjum, Basit Raza, Ahmad Kamran Malik

Abstract:

Databases are the key components of the software systems. Due to the exponential growth of data, it is the concern that the data should be accurate and available. The data in databases is vulnerable to internal and external threats, especially when it contains sensitive data like medical or military applications. Whenever the data is changed by malicious intent, data analysis result may lead to disastrous decisions. Autonomic self-healing is molded toward computer system after inspiring from the autonomic system of human body. In order to guarantee the accuracy and availability of data, we propose a technique which on a priority basis, tries to avoid any malicious transaction from execution and in case a malicious transaction affects the system, it heals the system in an isolated mode in such a way that the availability of system would not be compromised. Using this autonomic system, the management cost and time of DBAs can be minimized. In the end, we test our model and present the findings.

Keywords: autonomic computing, self-healing, threat avoidance, security

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25617 Information Extraction Based on Search Engine Results

Authors: Mohammed R. Elkobaisi, Abdelsalam Maatuk

Abstract:

The search engines are the large scale information retrieval tools from the Web that are currently freely available to all. This paper explains how to convert the raw resulted number of search engines into useful information. This represents a new method for data gathering comparing with traditional methods. When a query is submitted for a multiple numbers of keywords, this take a long time and effort, hence we develop a user interface program to automatic search by taking multi-keywords at the same time and leave this program to collect wanted data automatically. The collected raw data is processed using mathematical and statistical theories to eliminate unwanted data and converting it to usable data.

Keywords: search engines, information extraction, agent system

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25616 Implementation and Performance Analysis of Data Encryption Standard and RSA Algorithm with Image Steganography and Audio Steganography

Authors: S. C. Sharma, Ankit Gambhir, Rajeev Arya

Abstract:

In today’s era data security is an important concern and most demanding issues because it is essential for people using online banking, e-shopping, reservations etc. The two major techniques that are used for secure communication are Cryptography and Steganography. Cryptographic algorithms scramble the data so that intruder will not able to retrieve it; however steganography covers that data in some cover file so that presence of communication is hidden. This paper presents the implementation of Ron Rivest, Adi Shamir, and Leonard Adleman (RSA) Algorithm with Image and Audio Steganography and Data Encryption Standard (DES) Algorithm with Image and Audio Steganography. The coding for both the algorithms have been done using MATLAB and its observed that these techniques performed better than individual techniques. The risk of unauthorized access is alleviated up to a certain extent by using these techniques. These techniques could be used in Banks, RAW agencies etc, where highly confidential data is transferred. Finally, the comparisons of such two techniques are also given in tabular forms.

Keywords: audio steganography, data security, DES, image steganography, intruder, RSA, steganography

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25615 Data Monetisation by E-commerce Companies: A Need for a Regulatory Framework in India

Authors: Anushtha Saxena

Abstract:

This paper examines the process of data monetisation bye-commerce companies operating in India. Data monetisation is collecting, storing, and analysing consumers’ data to use further the data that is generated for profits, revenue, etc. Data monetisation enables e-commerce companies to get better businesses opportunities, innovative products and services, a competitive edge over others to the consumers, and generate millions of revenues. This paper analyses the issues and challenges that are faced due to the process of data monetisation. Some of the issues highlighted in the paper pertain to the right to privacy, protection of data of e-commerce consumers. At the same time, data monetisation cannot be prohibited, but it can be regulated and monitored by stringent laws and regulations. The right to privacy isa fundamental right guaranteed to the citizens of India through Article 21 of The Constitution of India. The Supreme Court of India recognized the Right to Privacy as a fundamental right in the landmark judgment of Justice K.S. Puttaswamy (Retd) and Another v. Union of India . This paper highlights the legal issue of how e-commerce businesses violate individuals’ right to privacy by using the data collected, stored by them for economic gains and monetisation and protection of data. The researcher has mainly focused on e-commerce companies like online shopping websitesto analyse the legal issue of data monetisation. In the Internet of Things and the digital age, people have shifted to online shopping as it is convenient, easy, flexible, comfortable, time-consuming, etc. But at the same time, the e-commerce companies store the data of their consumers and use it by selling to the third party or generating more data from the data stored with them. This violatesindividuals’ right to privacy because the consumers do not know anything while giving their data online. Many times, data is collected without the consent of individuals also. Data can be structured, unstructured, etc., that is used by analytics to monetise. The Indian legislation like The Information Technology Act, 2000, etc., does not effectively protect the e-consumers concerning their data and how it is used by e-commerce businesses to monetise and generate revenues from that data. The paper also examines the draft Data Protection Bill, 2021, pending in the Parliament of India, and how this Bill can make a huge impact on data monetisation. This paper also aims to study the European Union General Data Protection Regulation and how this legislation can be helpful in the Indian scenarioconcerning e-commerce businesses with respect to data monetisation.

Keywords: data monetization, e-commerce companies, regulatory framework, GDPR

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25614 Time Domain Dielectric Relaxation Microwave Spectroscopy

Authors: A. C. Kumbharkhane

Abstract:

Time domain dielectric relaxation microwave spectroscopy (TDRMS) is a term used to describe a technique of observing the time dependant response of a sample after application of time dependant electromagnetic field. A TDRMS probes the interaction of a macroscopic sample with a time dependent electrical field. The resulting complex permittivity spectrum, characterizes amplitude (voltage) and time scale of the charge-density fluctuations within the sample. These fluctuations may arise from the reorientation of the permanent dipole moments of individual molecules or from the rotation of dipolar moieties in flexible molecules, like polymers. The time scale of these fluctuations depends on the sample and its relative relaxation mechanism. Relaxation times range from some picoseconds in low viscosity liquids to hours in glasses, Therefore the TDRS technique covers an extensive dynamical process. The corresponding frequencies range from 10-4 Hz to 1012 Hz. This inherent ability to monitor the cooperative motion of molecular ensemble distinguishes dielectric relaxation from methods like NMR or Raman spectroscopy, which yield information on the motions of individual molecules. Recently, we have developed and established the TDR technique in laboratory that provides information regarding dielectric permittivity in the frequency range 10 MHz to 30 GHz. The TDR method involves the generation of step pulse with rise time of 20 pico-seconds in a coaxial line system and monitoring the change in pulse shape after reflection from the sample placed at the end of the coaxial line. There is a great interest to study the dielectric relaxation behaviour in liquid systems to understand the role of hydrogen bond in liquid system. The intermolecular interaction through hydrogen bonds in molecular liquids results in peculiar dynamical properties. The dynamics of hydrogen-bonded liquids have been studied. The theoretical model to explain the experimental results will be discussed.

Keywords: microwave, time domain reflectometry (TDR), dielectric measurement, relaxation time

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25613 Investigating Role of Novel Molecular Players in Forebrain Roof-Plate Midline Invagination

Authors: Mohd Ali Abbas Zaidi, Meenu Sachdeva, Jonaki Sen

Abstract:

In the vertebrate embryo, the forebrain anlagen develops from the anterior-most region of the neural tube which is the precursor of the central nervous system (CNS). The roof plate located at the dorsal midline region of the forebrain anlagen, acts as a source of several secreted molecules involved in patterning and morphogenesis of the forebrain. One such key morphogenetic event is the invagination of the forebrain roof plate which results in separation of the single forebrain vesicle into two cerebral hemispheres. Retinoic acid (RA) signaling plays a key role in this process. Blocking RA signaling at the dorsal forebrain midline inhibits dorsal invagination and results in the absence of certain key features of this region, such as thinning of the neuroepithelium and a lowering of cell proliferation. At present we are investigating the possibility of other signaling pathways acting in concert with RA signaling to regulate this process. We have focused on BMP signaling, which we found to be active in a mutually exclusive domain to that of RA signaling within the roof plate. We have also observed that there is a change in BMP signaling activity on modulation of RA signaling indicating an antagonistic relationship between the two. Moreover, constitutive activation of BMP signaling seems to completely inhibit thinning and partially affect invagination, leaving the lowering of cell proliferation in the midline unaffected. We are employing in-silico modeling as well as molecular manipulations to investigate the relative contribution if any, of regional differences in rates of cell proliferation and thinning of the neuroepithelium towards the process of invagination. We have found expression of certain cell adhesion molecules in forebrain roof-plate whose mRNA localization across the thickness of neuroepithelium is influenced by Bmp and RA signaling, giving regional rigidity to roof plate and assisting invagination. We also found expression of certain cytoskeleton modifiers in a localized small domains in invaginating forebrain roof plate suggesting that midline invagination is under control of many factors.

Keywords: bone morphogenetic signaling, cytoskeleton, cell adhesion molecules, forebrain roof plate, retinoic acid signaling

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25612 Experiments on Weakly-Supervised Learning on Imperfect Data

Authors: Yan Cheng, Yijun Shao, James Rudolph, Charlene R. Weir, Beth Sahlmann, Qing Zeng-Treitler

Abstract:

Supervised predictive models require labeled data for training purposes. Complete and accurate labeled data, i.e., a ‘gold standard’, is not always available, and imperfectly labeled data may need to serve as an alternative. An important question is if the accuracy of the labeled data creates a performance ceiling for the trained model. In this study, we trained several models to recognize the presence of delirium in clinical documents using data with annotations that are not completely accurate (i.e., weakly-supervised learning). In the external evaluation, the support vector machine model with a linear kernel performed best, achieving an area under the curve of 89.3% and accuracy of 88%, surpassing the 80% accuracy of the training sample. We then generated a set of simulated data and carried out a series of experiments which demonstrated that models trained on imperfect data can (but do not always) outperform the accuracy of the training data, e.g., the area under the curve for some models is higher than 80% when trained on the data with an error rate of 40%. Our experiments also showed that the error resistance of linear modeling is associated with larger sample size, error type, and linearity of the data (all p-values < 0.001). In conclusion, this study sheds light on the usefulness of imperfect data in clinical research via weakly-supervised learning.

Keywords: weakly-supervised learning, support vector machine, prediction, delirium, simulation

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25611 Comparison of Catalyst Support for High Pressure Reductive Amination

Authors: Tz-Bang Du, Cheng-Han Hsieh, Li-Ping Ju, Hung-Jie Liou

Abstract:

Polyether amines synthesize by secondary hydroxyl polyether diol play an important role in epoxy hardener. The low molecular weight product is used in low viscosity and high transparent polyamine product for the logo, ground cover, especially for wind turbine blade, while the high molecular weight products are used in advanced agricultures such as a high-speed railway. High-pressure reductive amination process is required for producing these amines. In the condition of higher than 150 atm pressure and 200 degrees Celsius temperature, supercritical ammonia is used as a reactant and also a solvent. It would be a great challenge to select a catalyst support for such high-temperature alkaline circumstance. In this study, we have established a six-autoclave-type (SAT) high-pressure reactor for amination catalyst screening, which six experiment conditions with different temperature and pressure could be examined at the same time. We synthesized copper-nickel catalyst on different shaped alumina catalyst support and evaluated the catalyst activity for high-pressure reductive amination of polypropylene glycol (PPG) by SAT reactor. Ball type gamma alumina, ball type activated alumina and pellet type gamma alumina catalyst supports are evaluated in this study. Gamma alumina supports have shown better activity on PPG reductive amination than activated alumina support. In addition, the catalysts are evaluated in fixed bed reactor. The diamine product was successfully synthesized via this catalyst and the strength of the catalysts is measured. The crush strength of blank supports is about 13.5 lb for both gamma alumina and activated alumina. The strength increases to 20.3 lb after synthesized to be copper-nickel catalyst. After test in the fixed bed high-pressure reductive amination process for 100 hours, the crush strength of the used catalyst is 3.7 lb for activated alumina support, 12.0 lb for gamma alumina support. The gamma alumina is better than activated alumina to use as catalyst support in high-pressure reductive amination process.

Keywords: high pressure reductive amination, copper nickel catalyst, polyether amine, alumina

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