Search results for: chitin binding domain
2303 Scaling Siamese Neural Network for Cross-Domain Few Shot Learning in Medical Imaging
Authors: Jinan Fiaidhi, Sabah Mohammed
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Cross-domain learning in the medical field is a research challenge as many conditions, like in oncology imaging, use different imaging modalities. Moreover, in most of the medical learning applications, the sample training size is relatively small. Although few-shot learning (FSL) through the use of a Siamese neural network was able to be trained on a small sample with remarkable accuracy, FSL fails to be effective for use in multiple domains as their convolution weights are set for task-specific applications. In this paper, we are addressing this problem by enabling FSL to possess the ability to shift across domains by designing a two-layer FSL network that can learn individually from each domain and produce a shared features map with extra modulation to be used at the second layer that can recognize important targets from mix domains. Our initial experimentations based on mixed medical datasets like the Medical-MNIST reveal promising results. We aim to continue this research to perform full-scale analytics for testing our cross-domain FSL learning.Keywords: Siamese neural network, few-shot learning, meta-learning, metric-based learning, thick data transformation and analytics
Procedia PDF Downloads 62302 Design and Synthesis of Novel Benzamides as Non-Ulcerogenic Anti-Inflammatory Agents
Authors: Khadse Saurabh, Talele Gokul, Surana Sanjay
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In an endeavor to find a new class of anti-inflammatory agents, a series of novel benzamides (ab1-ab16) were synthesized by utilizing some arylideneoxazolones (az1-az4) having 2-acetyloxyphenyl substitution on their second position. Structures of these synthesized compounds were confirmed by IR, 1H-NMR, 13C NMR, and HRMS. Among the tested benzamide compounds 3ab1, 3ab2, 3ab11, and 3ab16 showed promising anti-inflammatory activity with lessened propensity to cause gastro-intestinal hypermotility and ulceration when compared with standard Indomethacin. Virtual screening was performed by docking the designed compounds into the ATP binding site of COX-2 receptor to predict if these compounds have analogous binding mode to the COX-2 inhibitor.Keywords: benzamides, anti-inflammatory, gastro-intestinal hypermotility, ulcerogenic activity, docking
Procedia PDF Downloads 4112301 Speeding-up Gray-Scale FIC by Moments
Authors: Eman A. Al-Hilo, Hawraa H. Al-Waelly
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In this work, fractal compression (FIC) technique is introduced based on using moment features to block indexing the zero-mean range-domain blocks. The moment features have been used to speed up the IFS-matching stage. Its moments ratio descriptor is used to filter the domain blocks and keep only the blocks that are suitable to be IFS matched with tested range block. The results of tests conducted on Lena picture and Cat picture (256 pixels, resolution 24 bits/pixel) image showed a minimum encoding time (0.89 sec for Lena image and 0.78 of Cat image) with appropriate PSNR (30.01dB for Lena image and 29.8 of Cat image). The reduction in ET is about 12% for Lena and 67% for Cat image.Keywords: fractal gray level image, fractal compression technique, iterated function system, moments feature, zero-mean range-domain block
Procedia PDF Downloads 4692300 Functional Switching of Serratia marcescens Transcriptional Regulator from Activator to Inhibitor of Quorum Sensing by Exogenous Addition
Authors: Norihiro Kato, Yuriko Takayama
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Some gram-negative bacteria enable the simultaneous activation of gene expression involved in N-acylhomoserine lactone (AHL) dependent cell-to-cell communication system. Such regulatory system for the bacterial group behavior is termed as quorum sensing (QS) because a diffusible AHL signal can accumulate around the cell during the increase of the cell density and trigger activation of the sequential QS process. By blocking the QS, the expression of diverse genes related to infection, antibiotic production, and biofilm formation is inhibited. Conditioning of QS by regulation of the DNA-receptor-AHL interaction is a potential target for enhancing host defenses against pathogenicity. We focused on engineered application of transcriptional regulator SpnR produced in opportunistic human pathogen Serratia marcescens. The SpnR can interact with AHL signals at an N-terminal domain and also with a promoter region of a QS target gene at a C-terminal domain. As the initial process of the QS activation, the SpnR forms a complex with the AHL to enhance the expression of pig cluster; the SpnR normally acts as an activator for the expression of the QS-dependent gene. In this research, we attempt to artificially control QS by changing the role of SpnR. The QS-dependent prodigiosin production is expected to inhibit by externally added SpnR in the culture broth of AS-1 strain because the AHL concentration was kept below the threshold by AHL-SpnR complex formation. Maltose-binding protein (MBP)-tagged SpnR (MBP-SpnR) was overexpressed in Escherichia coli and purified using an affinity chromatography equipped with an amylose resin column. The specific interaction between AHL and MBP-SpnR was demonstrated by quartz crystal microbalance (QCM) sensor. AHL with amino end-group was coupled with COOH-terminated self-assembled monolayer prepared on a gold electrode of 27-MHz quartz crystal sensor using water-soluble carbodiimide. After the injection of MBP-SpnR into a cup-type sensor cell filled with the buffer solution, time course of resonant frequency change (ΔFs) was determined. A decrease of ΔFs clearly showed the uptake of MBP-SpnR onto the AHL-immobilized electrode. Furthermore, no binding affinity was observed after the heat-inactivation of MBP-SpnR at 80ºC. These results suggest that MBP-SpnR possesses a specific affinity for AHL. MBP-SpnR was added to the culture medium as an AHL trap to study inhibitory effects on intracellularly accumulated prodigiosin. With approximately 2 µM MBP-SpnR, the amount of prodigiosin induced was half that of the control without any additives. In conclusion, the function of SpnR could be switched by adding it to the cell culture. Exogenously added MBP-SpnR possesses high affinity for AHL derived from cells and acts as an inhibitor of AHL-mediated QS.Keywords: intracellular signaling, microbial biotechnology, quorum sensing, transcriptional regulator
Procedia PDF Downloads 2412299 Career Anchors and Domain Specialization in Management Education: A Deviation Analysis
Authors: Santosh Kumar Sharma
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In view of management education with special reference to India, it has been noted that students have deviations between their career anchors and domain of specialization. As a consequence, they face problems in their summer internships and placements in the corporate sector. Eventually, they either change their career track or leave the management profession, which is a serious concern from the perspective of human capital. However, there is no substantial literature in the given context. Therefore, the present study contributes to the global discourse of management education and its spillover effect on human resource management. The objective of the present study is to analyze the deviation between career anchors and domain specialization with reference to management education in India. The present study is exploratory in nature, wherein data has been collected from a significant number of post-graduate students who are pursuing management education from a premium business school in India, followed by descriptive analysis. The present research contributes to the professional development of management students from the perspective of human capital, which is eventually related to various factors of the Indian economy.Keywords: India, management education, domain specialization, placements
Procedia PDF Downloads 522298 Comparative Study od Three Artificial Intelligence Techniques for Rain Domain in Precipitation Forecast
Authors: Nabilah Filzah Mohd Radzuan, Andi Putra, Zalinda Othman, Azuraliza Abu Bakar, Abdul Razak Hamdan
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Precipitation forecast is important to avoid natural disaster incident which can cause losses in the involved area. This paper reviews three techniques logistic regression, decision tree, and random forest which are used in making precipitation forecast. These combination techniques through the vector auto-regression (VAR) model help in finding the advantages and strengths of each technique in the forecast process. The data-set contains variables of the rain’s domain. Adaptation of artificial intelligence techniques involved in rain domain enables the forecast process to be easier and systematic for precipitation forecast.Keywords: logistic regression, decisions tree, random forest, VAR model
Procedia PDF Downloads 4172297 Identification of Potential Small Molecule Inhibitors Against β-hCG for Cancer Therapy: An In-Silico Study
Authors: Shreya Sara Ittycheria, K. C. Sivakumar, Shijulal Nelson Sathi, Priya Srinivas
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hCG, a heterodimer composed of α and β subunits, is a peptide hormone having numerous biological functions. Although hCG is expressed by placenta during pregnancy, ectopic β-hCG secretion is observed in many non-trophoblastic tumors including that of breast. In-vitro and in-vivo studies done in the lab, have proved that BRCA1 defective cancers express β-hCG and when β-hCG is expressed or supplemented, it promotes tumor progression and exhibits resistance to carboplatin and ABT888, in such cancers but not in BRCA1 wild type cancers. In cancer cells, instead of binding to its regular receptor, LH-CGR, β-hCG binds with Transforming Growth Factor Receptor 2 (TGFβRII) and phosphorylates it resulting in faster tumor progression through the Smad signaling pathway. Targeting β-hCG could be a potential therapeutic strategy for managing BRCA1 defective cancers. Here, molecular docking and dynamic simulation studies were done to identify potential small molecule inhibitors against β-hCG as there are currently no such inhibitors reported. The binding sites of TGFβRII on β-hCG were identified from the top 10 predicted complexes from Z Dock. Virtual screening of selected commercially available small molecules from various libraries such as ZINC, NCI and Life Chemicals amounting to a total of 50,025 molecules were done. Four potential small molecule inhibitors were identified, RgcbPs-1, RgcbPs-2, RgcbPs-3 and RgcbPs-4 with binding affinities -60.778 kcal/mol, -45.447 kcal/mol, -65.2268 kcal/mol and -82.040 kcal/mol respectively. Further, 100ns Molecular Dynamics (MD) simulation showed that these molecules form stable complexes with β-hCG. RgcbPs-1 maintains hydrogen bonds with Q54, L52, Q46, C100, G36, C57, C38 residues, RgcbPs-2 maintains hydrogen bonds with A83 residue, RgcbPs-3 maintains hydrogen bonds with C57, Y58, R94, G101 residues and RgcbPs-4 maintains hydrogen bonds with G36, C38, T40, C57, D99, C100, G101 and L104 residues of β-hCG all of which coincide with the TGFβRII binding site on β-hCG. These results show that these two inhibitors could be used either singly or in combination for inhibiting β-hCG from binding to TGFβRII and thereby directly inhibiting the tumorigenesis pathway.Keywords: β-hCG, breast cancer, dynamic simulations, molecular docking, small molecule inhibitors, virtual screening.
Procedia PDF Downloads 692296 Understanding Inhibitory Mechanism of the Selective Inhibitors of Cdk5/p25 Complex by Molecular Modeling Studies
Authors: Amir Zeb, Shailima Rampogu, Minky Son, Ayoung Baek, Sang H. Yoon, Keun W. Lee
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Neurotoxic insults activate calpain, which in turn produces truncated p25 from p35. p25 forms hyperactivated Cdk5/p25 complex, and thereby induces severe neuropathological aberrations including hyperphosphorylated tau, neuroinflammation, apoptosis, and neuronal death. Inhibition of Cdk5/p25 complex alleviates aberrant phosphorylation of tau to mitigate AD pathology. PHA-793887 and Roscovitine have been investigated as selective inhibitors of Cdk5/p25 with IC50 values 5nM and 160nM, respectively, but their mechanistic studies remain unknown. Herein, computational simulations have explored the binding mode and interaction mechanism of PHA-793887 and Roscovitine with Cdk5/p25. Docking results suggested that PHA-793887 and Rsocovitine have occupied the ATP-binding site of Cdk5 and obtained highest docking (GOLD) score of 66.54 and 84.03, respectively. Furthermore, molecular dynamics (MD) simulation demonstrated that PHA-793887 and Roscovitine established stable RMSD of 1.09 Å and 1.48 Å with Cdk5/p25, respectively. Profiling of polar interactions suggested that each inhibitor formed hydrogen bonds (H-bond) with catalytic residues of Cdk5 and could remain stable throughout the molecular dynamics simulation. Additionally, binding free energy calculation by molecular mechanics/Poisson–Boltzmann surface area (MM/PBSA) suggested that PHA-793887 and Roscovitine had lowest binding free energies of -150.05 kJ/mol and -113.14 kJ/mol, respectively with Cdk5/p25. Free energy decomposition demonstrated that polar energy by H-bond between the Glu81 of Cdk5 and PHA-793887 is the essential factor to make PHA-793887 highly selective towards Cdk5/p25. Overall, this study provided substantial evidences to explore mechanistic interactions of the selective inhibitors of Cdk5/p25 and could be used as fundamental considerations in the development of structure-based selective inhibitors of Cdk5/p25.Keywords: Cdk5/p25 inhibition, molecular modeling of Cdk5/p25, PHA-793887 and roscovitine, selective inhibition of Cdk5/p25
Procedia PDF Downloads 1152295 Novel EGFR Ectodomain Mutations and Resistance to Anti-EGFR and Radiation Therapy in H&N Cancer
Authors: Markus Bredel, Sindhu Nair, Hoa Q. Trummell, Rajani Rajbhandari, Christopher D. Willey, Lewis Z. Shi, Zhuo Zhang, William J. Placzek, James A. Bonner
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Purpose: EGFR-targeted monoclonal antibodies (mAbs) provide clinical benefit in some patients with H&N squamous cell carcinoma (HNSCC), but others progress with minimal response. Missense mutations in the EGFR ectodomain (ECD) can be acquired under mAb therapy by mimicking the effect of large deletions on receptor untethering and activation. Little is known about the contribution of EGFR ECD mutations to EGFR activation and anti-EGFR response in HNSCC. Methods: We selected patient-derived HNSCC cells (UM-SCC-1) for resistance to mAb Cetuximab (CTX) by repeated, stepwise exposure to mimic what may occur clinically and identified two concurrent EGFR ECD mutations (UM-SCC-1R). We examined the competence of the mutants to bind EGF ligand or CTX. We assessed the potential impact of the mutations through visual analysis of space-filling models of the native sidechains in the original structures vs. their respective side-chain mutations. We performed CRISPR in combination with site-directed mutagenesis to test for the effect of the mutants on ligand-independent EGFR activation and sorting. We determined the effects on receptor internalization, endocytosis, downstream signaling, and radiation sensitivity. Results: UM-SCC-1R cells carried two non-synonymous missense mutations (G33S and N56K) mapping to domain I in or near the EGF binding pocket of the EGFR ECD. Structural modeling predicted that these mutants restrict the adoption of a tethered, inactive EGFR conformation while not permitting association of EGFR with the EGF ligand or CTX. Binding studies confirmed that the mutant, untethered receptor displayed a reduced affinity for both EGF and CTX but demonstrated sustained activation and presence at the cell surface with diminished internalization and sorting for endosomal degradation. Single and double-mutant models demonstrated that the G33S mutant is dominant over the N56K mutant in its effect on EGFR activation and EGF binding. CTX-resistant UM-SCC-1R cells demonstrated cross-resistance to mAb Panitumuab but, paradoxically, remained sensitive to the reversible receptor tyrosine kinase inhibitor Erlotinib. Conclusions: HNSCC cells can select for EGFR ECD mutations under EGFR mAb exposure that converge to trap the receptor in an open, constitutively activated state. These mutants impede the receptor’s competence to bind mAbs and EGF ligand and alter its endosomal trafficking, possibly explaining certain cases of clinical mAb and radiation resistance.Keywords: head and neck cancer, EGFR mutation, resistance, cetuximab
Procedia PDF Downloads 582294 Improving Binding Selectivity in Molecularly Imprinted Polymers from Templates of Higher Biomolecular Weight: An Application in Cancer Targeting and Drug Delivery
Authors: Ben Otange, Wolfgang Parak, Florian Schulz, Michael Alexander Rubhausen
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The feasibility of extending the usage of molecular imprinting technique in complex biomolecules is demonstrated in this research. This technique is promising in diverse applications in areas such as drug delivery, diagnosis of diseases, catalysts, and impurities detection as well as treatment of various complications. While molecularly imprinted polymers MIP remain robust in the synthesis of molecules with remarkable binding sites that have high affinities to specific molecules of interest, extending the usage to complex biomolecules remains futile. This work reports on the successful synthesis of MIP from complex proteins: BSA, Transferrin, and MUC1. We show in this research that despite the heterogeneous binding sites and higher conformational flexibility of the chosen proteins, relying on their respective epitopes and motifs rather than the whole template produces highly sensitive and selective MIPs for specific molecular binding. Introduction: Proteins are vital in most biological processes, ranging from cell structure and structural integrity to complex functions such as transport and immunity in biological systems. Unlike other imprinting templates, proteins have heterogeneous binding sites in their complex long-chain structure, which makes their imprinting to be marred by challenges. In addressing this challenge, our attention is inclined toward the targeted delivery, which will use molecular imprinting on the particle surface so that these particles may recognize overexpressed proteins on the target cells. Our goal is thus to make surfaces of nanoparticles that specifically bind to the target cells. Results and Discussions: Using epitopes of BSA and MUC1 proteins and motifs with conserved receptors of transferrin as the respective templates for MIPs, significant improvement in the MIP sensitivity to the binding of complex protein templates was noted. Through the Fluorescence Correlation Spectroscopy FCS measurements on the size of protein corona after incubation of the synthesized nanoparticles with proteins, we noted a high affinity of MIPs to the binding of their respective complex proteins. In addition, quantitative analysis of hard corona using SDS-PAGE showed that only a specific protein was strongly bound on the respective MIPs when incubated with similar concentrations of the protein mixture. Conclusion: Our findings have shown that the merits of MIPs can be extended to complex molecules of higher biomolecular mass. As such, the unique merits of the technique, including high sensitivity and selectivity, relative ease of synthesis, production of materials with higher physical robustness, and higher stability, can be extended to more templates that were previously not suitable candidates despite their abundance and usage within the body.Keywords: molecularly imprinted polymers, specific binding, drug delivery, high biomolecular mass-templates
Procedia PDF Downloads 222293 Target-Triggered DNA Motors and their Applications to Biosensing
Authors: Hongquan Zhang
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Inspired by endogenous protein motors, researchers have constructed various synthetic DNA motors based on the specificity and predictability of Watson-Crick base pairing. However, the application of DNA motors to signal amplification and biosensing is limited because of low mobility and difficulty in real-time monitoring of the walking process. The objective of our work was to construct a new type of DNA motor termed target-triggered DNA motors that can walk for hundreds of steps in response to a single target binding event. To improve the mobility and processivity of DNA motors, we used gold nanoparticles (AuNPs) as scaffolds to build high-density, three-dimensional tracks. Hundreds of track strands are conjugated to a single AuNP. To enable DNA motors to respond to specific protein and nucleic acid targets, we adapted the binding-induced DNA assembly into the design of the target-triggered DNA motors. In response to the binding of specific target molecules, DNA motors are activated to autonomously walk along AuNP, which is powered by a nicking endonuclease or DNAzyme-catalyzed cleavage of track strands. Each moving step restores the fluorescence of a dye molecule, enabling monitoring of the operation of DNA motors in real time. The motors can translate a single binding event into the generation of hundreds of oligonucleotides from a single nanoparticle. The motors have been applied to amplify the detection of proteins and nucleic acids in test tubes and live cells. The motors were able to detect low pM concentrations of specific protein and nucleic acid targets in homogeneous solutions without the need for separation. Target-triggered DNA motors are significant for broadening applications of DNA motors to molecular sensing, cell imagining, molecular interaction monitoring, and controlled delivery and release of therapeutics.Keywords: biosensing, DNA motors, gold nanoparticles, signal amplification
Procedia PDF Downloads 502292 New Approach to Interactional Dynamics of E-mail Correspondence
Authors: Olga Karamalak
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The paper demonstrates a research about theoretical understanding of writing in the electronic environment as dynamic, interactive, dialogical, and distributed activity aimed at “other-orientation” and consensual domain creation. The purpose is to analyze the personal e-mail correspondence in the academic environment from this perspective. The focus is made on the dynamics of interaction between the correspondents such as contact setting, orientation and co-functions; and the text of an e-letter is regarded as indices of the write’s state or affordances in terms of ecological linguistics. The establishment of consensual domain of interaction brings about a new stage of cognition emergence which may lead to distributed learning. The research can play an important part in the series of works dedicated to writing in the electronic environment.Keywords: consensual domain of interactions, distributed writing and learning, e-mail correspondence, interaction, orientation, co-function
Procedia PDF Downloads 5532291 Modeling Optimal Lipophilicity and Drug Performance in Ligand-Receptor Interactions: A Machine Learning Approach to Drug Discovery
Authors: Jay Ananth
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The drug discovery process currently requires numerous years of clinical testing as well as money just for a single drug to earn FDA approval. For drugs that even make it this far in the process, there is a very slim chance of receiving FDA approval, resulting in detrimental hurdles to drug accessibility. To minimize these inefficiencies, numerous studies have implemented computational methods, although few computational investigations have focused on a crucial feature of drugs: lipophilicity. Lipophilicity is a physical attribute of a compound that measures its solubility in lipids and is a determinant of drug efficacy. This project leverages Artificial Intelligence to predict the impact of a drug’s lipophilicity on its performance by accounting for factors such as binding affinity and toxicity. The model predicted lipophilicity and binding affinity in the validation set with very high R² scores of 0.921 and 0.788, respectively, while also being applicable to a variety of target receptors. The results expressed a strong positive correlation between lipophilicity and both binding affinity and toxicity. The model helps in both drug development and discovery, providing every pharmaceutical company with recommended lipophilicity levels for drug candidates as well as a rapid assessment of early-stage drugs prior to any testing, eliminating significant amounts of time and resources currently restricting drug accessibility.Keywords: drug discovery, lipophilicity, ligand-receptor interactions, machine learning, drug development
Procedia PDF Downloads 742290 Domain Adaptive Dense Retrieval with Query Generation
Authors: Rui Yin, Haojie Wang, Xun Li
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Recently, mainstream dense retrieval methods have obtained state-of-the-art results on some datasets and tasks. However, they require large amounts of training data, which is not available in most domains. The severe performance degradation of dense retrievers on new data domains has limited the use of dense retrieval methods to only a few domains with large training datasets. In this paper, we propose an unsupervised domain-adaptive approach based on query generation. First, a generative model is used to generate relevant queries for each passage in the target corpus, and then, the generated queries are used for mining negative passages. Finally, the query-passage pairs are labeled with a cross-encoder and used to train a domain-adapted dense retriever. We also explore contrastive learning as a method for training domain-adapted dense retrievers and show that it leads to strong performance in various retrieval settings. Experiments show that our approach is more robust than previous methods in target domains that require less unlabeled data.Keywords: dense retrieval, query generation, contrastive learning, unsupervised training
Procedia PDF Downloads 612289 Investigation of Corrosion Inhibition Potential of Acalypha chamaedrifolia Leaves Extract towards Mild Steel in Acid Medium
Authors: Stephen Eyije Abechi, Casimir Emmanuel Gimba, Zaharaddeen Nasiru Garba, Sani Shamsudeen, David Ebuka Authur
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Corrosion inhibition of mild steel in acid medium using Acalypha chamaedrifolia leaves extract as potential green inhibitor was investigated. Gravimetric (weight loss) technique was used for the corrosion studies. Mild steel coupons of 2cm × 1cm × 0.27 cm dimensions were exposed for varying durations of between 24 to 120 hours, in 1M HCl medium containing a varying concentrations of the leaves extract (0.25g/L, - 1.25g/L). The results show that corrosion rates dropped from a value of 0.49 mgcm-2hr-1 for the uninhibited medium to a value of 0.15 mgcm-2hr-1 for the inhibited medium of 1M HCl in 0.25 g/l of the extract. Values of corrosion inhibition efficiencies of 70.38-85.11% were observed as the concentration of the inhibitor were increased from 0.25g/L, - 1.25g/L. Corrosion Inhibition was found to increase with increase in immersion time and temperature. The magnitude of the Ea indicates that the interaction between the metal surface and the inhibitor was chemisorptions. The Adsorption process fit into the Langmuir isotherm model with a correlation coefficient of 0.97. Evidence from molecular dynamics model shows that Methyl stearate (Line 5) and (3Z, 13Z)-2-methyloctadeca-3,13-dien-1-ol (line 11) were found to have the highest binding energy of -197.69 ± 3.12 and-194.56 ± 10.04 in kcal/mol respectively. The binding energy of these compounds indicates that they would be a very good corrosion inhibitor for mild steel and other Fe related materials.Keywords: binding energy, corrosion, inhibitor, langmuir isotherm, mild steel
Procedia PDF Downloads 3222288 Amyloid-β Fibrils Remodeling by an Organic Molecule: Insight from All-Atomic Molecular Dynamics Simulations
Authors: Nikhil Agrawal, Adam A. Skelton
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Alzheimer’s disease (AD) is one of the most common forms of dementia, which is caused by misfolding and aggregation of amyloid beta (Aβ) peptides into amyloid-β fibrils (Aβ fibrils). To disrupt the remodeling of Aβ fibrils, a number of candidate molecules have been proposed. To study the molecular mechanisms of Aβ fibrils remodeling we performed a series of all-atom molecular dynamics simulations, a total time of 3µs, in explicit solvent. Several previously undiscovered candidate molecule-Aβ fibrils binding modes are unraveled; one of which shows the direct conformational change of the Aβ fibril by understanding the physicochemical factors responsible for binding and subsequent remodeling of Aβ fibrils by the candidate molecule, open avenues into structure-based drug design for AD can be opened.Keywords: alzheimer’s disease, amyloid, MD simulations, misfolded protein
Procedia PDF Downloads 3122287 On Transferring of Transient Signals along Hollow Waveguide
Authors: E. Eroglu, S. Semsit, E. Sener, U.S. Sener
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In Electromagnetics, there are three canonical boundary value problem with given initial conditions for the electromagnetic field sought, namely: Cavity Problem, Waveguide Problem, and External Problem. The Cavity Problem and Waveguide Problem were rigorously studied and new results were arised at original works in the past decades. In based on studies of an analytical time domain method Evolutionary Approach to Electromagnetics (EAE), electromagnetic field strength vectors produced by a time dependent source function are sought. The fields are took place in L2 Hilbert space. The source function that performs signal transferring, energy and surplus of energy has been demonstrated with all clarity. Depth of the method and ease of applications are emerged needs of gathering obtained results. Main discussion is about perfect electric conductor and hollow waveguide. Even if well studied time-domain modes problems are mentioned, specifically, the modes which have a hollow (i.e., medium-free) cross-section domain are considered.Keywords: evolutionary approach to electromagnetics, time-domain waveguide mode, Neumann problem, Dirichlet boundary value problem, Klein-Gordon
Procedia PDF Downloads 2992286 Parallelizing the Hybrid Pseudo-Spectral Time Domain/Finite Difference Time Domain Algorithms for the Large-Scale Electromagnetic Simulations Using Massage Passing Interface Library
Authors: Donggun Lee, Q-Han Park
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Due to its coarse grid, the Pseudo-Spectral Time Domain (PSTD) method has advantages against the Finite Difference Time Domain (FDTD) method in terms of memory requirement and operation time. However, since the efficiency of parallelization is much lower than that of FDTD, PSTD is not a useful method for a large-scale electromagnetic simulation in a parallel platform. In this paper, we propose the parallelization technique of the hybrid PSTD-FDTD (HPF) method which simultaneously possesses the efficient parallelizability of FDTD and the quick speed and low memory requirement of PSTD. Parallelization cost of the HPF method is exactly the same as the parallel FDTD, but still, it occupies much less memory space and has faster operation speed than the parallel FDTD. Experiments in distributed memory systems have shown that the parallel HPF method saves up to 96% of the operation time and reduces 84% of the memory requirement. Also, by combining the OpenMP library to the MPI library, we further reduced the operation time of the parallel HPF method by 50%.Keywords: FDTD, hybrid, MPI, OpenMP, PSTD, parallelization
Procedia PDF Downloads 1142285 Texture-Based Image Forensics from Video Frame
Authors: Li Zhou, Yanmei Fang
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With current technology, images and videos can be obtained more easily than ever. It is so easy to manipulate these digital multimedia information when obtained, and that the content or source of the image and video could be easily tampered. In this paper, we propose to identify the image and video frame by the texture-based approach, e.g. Markov Transition Probability (MTP), which is in space domain, DCT domain and DWT domain, respectively. In the experiment, image and video frame database is constructed, and is used to train and test the classifier Support Vector Machine (SVM). Experiment results show that the texture-based approach has good performance. In order to verify the experiment result, and testify the universality and robustness of algorithm, we build a random testing dataset, the random testing result is in keeping with above experiment.Keywords: multimedia forensics, video frame, LBP, MTP, SVM
Procedia PDF Downloads 4002284 Studies on Mechanisms of Corrosion Inhibition of Acalypha chamaedrifolia Leaves Extract towards Mild Steel in Acid Medium
Authors: Stephen Eyije Abechi, Casimir Emmanuel Gimba, Zaharaddeen Nasiru Garba, Sani Shamsudeen, David Ebuka Authur
Abstract:
The mechanisms of corrosion inhibition of mild steel in acid medium using Acalypha chamaedrifolia leaves extract as potential green inhibitor were investigated. Gravimetric (weight loss) technique was used for the corrosion studies. Mild steel coupons of 2cm × 1cm × 0.27 cm dimensions were exposed for varying durations of between 24 to 120 hours, in 1M HCl medium containing a varying concentrations of the leaves extract (0.25g/L, - 1.25g/L). The results show that corrosion rates dropped from a value of 0.49 mgcm-2hr-1 for the uninhibited medium to a value of 0.15 mgcm-2hr-1 for the inhibited medium of 1M HCl in 0.25 g/l of the extract. Values of corrosion inhibition efficiencies of 70.38-85.11% were observed as the concentration of the inhibitor were increased from 0.25g/L, - 1.25g/L. Corrosion Inhibition was found to increase with increase in immersion time and temperature. The magnitude of the Ea indicates that the interaction between the metal surface and the inhibitor was chemisorptions. The Adsorption process fit into the Langmuir isotherm model with a correlation coefficient of 0.97. Evidence from molecular dynamics model shows that Methyl stearate (Line 5) and (3Z, 13Z)-2-methyloctadeca-3,13-dien-1-ol (line 11) were found to have the highest binding energy of -197.69 ± 3.12 and-194.56 ± 10.04 in kcal/mol respectively. The binding energy of these compounds indicates that they would be a very good corrosion inhibitor for mild steel and other Fe related materials.Keywords: binding energy, corrosion, inhibitor, Langmuir isotherm, mild steel.
Procedia PDF Downloads 3212283 Comparative Analysis of Fused Deposition Modeling and Binding-Jet 3D Printing Technologies
Authors: Mohd Javaid, Shahbaz Khan, Abid Haleem
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Purpose: Large numbers of 3D printing technologies are now available for sophisticated applications in different fields. Additive manufacturing has established its dominance in design, development, and customisation of the product. In the era of developing technologies, there is a need to identify the appropriate technology for different application. In order to fulfil this need, two widely used printing technologies such as Fused Deposition Modeling (FDM), and Binding-Jet 3D Printing are compared for effective utilisation in the current scenario for different applications. Methodology: Systematic literature review conducted for both technologies with applications and associated factors enabling for the same. Appropriate MCDM tool is used to compare critical factors for both the technologies. Findings: Both technologies have their potential and capabilities to provide better direction to the industry. Additionally, this paper is helpful to develop a decision support system for the proper selection of technologies according to their continuum of applications and associated research and development capability. The vital issue is raw materials, and research-based material development is key to the sustainability of the developed technologies. FDM is a low-cost technology which provides high strength product as compared to binding jet technology. Researcher and companies can take benefits of this study to achieve the required applications in lesser resources. Limitations: Study has undertaken the comparison with the opinion of experts, which may not always be free from bias, and some own limitations of each technology. Originality: Comparison between these technologies will help to identify best-suited technology as per the customer requirements. It also provides development in this different field as per their extensive capability where these technologies can be successfully adopted. Conclusion: FDM and binding jet technology play an active role in industrial development. These help to assist the customisation and production of personalised parts cost-effectively. So, there is a need to understand how these technologies can provide these developments rapidly. These technologies help in easy changes or in making revised versions of the product, which is not easily possible in the conventional manufacturing system. High machine cost, the requirement of skilled human resources, low surface finish, and mechanical strength of product and material changing option is the main limitation of this technology. However, these limitations vary from technology to technology. In the future, these technologies are to be commercially viable for efficient usage in direct manufacturing of varied parts.Keywords: 3D printing, comparison, fused deposition modeling, FDM, binding jet technology
Procedia PDF Downloads 822282 Analysis and Simulation of TM Fields in Waveguides with Arbitrary Cross-Section Shapes by Means of Evolutionary Equations of Time-Domain Electromagnetic Theory
Authors: Ömer Aktaş, Olga A. Suvorova, Oleg Tretyakov
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The boundary value problem on non-canonical and arbitrary shaped contour is solved with a numerically effective method called Analytical Regularization Method (ARM) to calculate propagation parameters. As a result of regularization, the equation of first kind is reduced to the infinite system of the linear algebraic equations of the second kind in the space of L2. This equation can be solved numerically for desired accuracy by using truncation method. The parameters as cut-off wavenumber and cut-off frequency are used in waveguide evolutionary equations of electromagnetic theory in time-domain to illustrate the real-valued TM fields with lossy and lossless media.Keywords: analytical regularization method, electromagnetic theory evolutionary equations of time-domain, TM Field
Procedia PDF Downloads 4672281 Comparison of the Boundary Element Method and the Method of Fundamental Solutions for Analysis of Potential and Elasticity
Authors: S. Zenhari, M. R. Hematiyan, A. Khosravifard, M. R. Feizi
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The boundary element method (BEM) and the method of fundamental solutions (MFS) are well-known fundamental solution-based methods for solving a variety of problems. Both methods are boundary-type techniques and can provide accurate results. In comparison to the finite element method (FEM), which is a domain-type method, the BEM and the MFS need less manual effort to solve a problem. The aim of this study is to compare the accuracy and reliability of the BEM and the MFS. This comparison is made for 2D potential and elasticity problems with different boundary and loading conditions. In the comparisons, both convex and concave domains are considered. Both linear and quadratic elements are employed for boundary element analysis of the examples. The discretization of the problem domain in the BEM, i.e., converting the boundary of the problem into boundary elements, is relatively simple; however, in the MFS, obtaining appropriate locations of collocation and source points needs more attention to obtain reliable solutions. The results obtained from the presented examples show that both methods lead to accurate solutions for convex domains, whereas the BEM is more suitable than the MFS for concave domains.Keywords: boundary element method, method of fundamental solutions, elasticity, potential problem, convex domain, concave domain
Procedia PDF Downloads 622280 Time-Domain Expressions for Bridge Self-Excited Aerodynamic Forces by Modified Particle Swarm Optimizer
Authors: Hao-Su Liu, Jun-Qing Lei
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This study introduces the theory of modified particle swarm optimizer and its application in time-domain expressions for bridge self-excited aerodynamic forces. Based on the indicial function expression and the rational function expression in time-domain expression for bridge self-excited aerodynamic forces, the characteristics of the two methods, i.e. the modified particle swarm optimizer and conventional search method, are compared in flutter derivatives’ fitting process. Theoretical analysis and numerical results indicate that adopting whether the indicial function expression or the rational function expression, the fitting flutter derivatives obtained by modified particle swarm optimizer have better goodness of fit with ones obtained from experiment. As to the flutter derivatives which have higher nonlinearity, the self-excited aerodynamic forces, using the flutter derivatives obtained through modified particle swarm optimizer fitting process, are much closer to the ones simulated by the experimental. The modified particle swarm optimizer was used to recognize the parameters of time-domain expressions for flutter derivatives of an actual long-span highway-railway truss bridge with double decks at the wind attack angle of 0°, -3° and +3°. It was found that this method could solve the bounded problems of attenuation coefficient effectively in conventional search method, and had the ability of searching in unboundedly area. Accordingly, this study provides a method for engineering industry to frequently and efficiently obtain the time-domain expressions for bridge self-excited aerodynamic forces.Keywords: time-domain expressions, bridge self-excited aerodynamic forces, modified particle swarm optimizer, long-span highway-railway truss bridge
Procedia PDF Downloads 2892279 [Keynote Talk]: Analysis of One Dimensional Advection Diffusion Model Using Finite Difference Method
Authors: Vijay Kumar Kukreja, Ravneet Kaur
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In this paper, one dimensional advection diffusion model is analyzed using finite difference method based on Crank-Nicolson scheme. A practical problem of filter cake washing of chemical engineering is analyzed. The model is converted into dimensionless form. For the grid Ω × ω = [0, 1] × [0, T], the Crank-Nicolson spatial derivative scheme is used in space domain and forward difference scheme is used in time domain. The scheme is found to be unconditionally convergent, stable, first order accurate in time and second order accurate in space domain. For a test problem, numerical results are compared with the analytical ones for different values of parameter.Keywords: Crank-Nicolson scheme, Lax-Richtmyer theorem, stability, consistency, Peclet number, Greschgorin circle
Procedia PDF Downloads 1962278 The Effect of Probiotic Bacteria on Aflatoxin M1 Detoxification in Phosphate Buffer Saline
Authors: Sumeyra Sevim, Gulsum Gizem Topal, Mercan Merve Tengilimoglu-Metin, Mevlude Kizil
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Aflatoxin M1 (AFM1) is a major toxic and carcinogenic molecule in milk and milk products. Therefore, it poses a risk for public health. Probiotics can be biological agent to remove AFM1. The aim of this study is to evaluate the effect of probiotic bacteria on AFM1 detoxification in phosphate buffer saline. The PBS samples artificially contaminated with AFM1 at concentration 100 pg/ml were prepared with probiotics bacteria that including monoculture (L. plantarum, B. bifidum ATCC, B. animalis ATCC 27672) and binary culture (L. bulgaricus + S. thermophiles, B. bifidum ATCC + B. animalis ATCC 27672, L. plantarum+B. bifidum ATCC, L. plantarum+ B. animalis ATCC 27672). The samples were incubated at 37°C for 4 hours and stored for 1, 5 and 10 days. The toxin was measured by the ELISA. The highest levels of AFM1 binding ability (63.6%) in PBS were detected yoghurt starter bacteria, while L. plantarum had the lowest levels of AFM1 binding ability (35.5%) in PBS. In addition, it was found that there was significant effect of storage on AFM1 binding ability in all groups except the one including B. animalis (p < 0.05). Consequently, results demonstrate that AFM1 detoxification by probiotic bacteria has a potential application to reduce toxin concentrations in yoghurt. Moreover, probiotic strains can react with itself as synergic or antagonist.Keywords: aflatoxin M1, ELISA, probiotics, storage
Procedia PDF Downloads 2922277 Method of Cluster Based Cross-Domain Knowledge Acquisition for Biologically Inspired Design
Authors: Shen Jian, Hu Jie, Ma Jin, Peng Ying Hong, Fang Yi, Liu Wen Hai
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Biologically inspired design inspires inventions and new technologies in the field of engineering by mimicking functions, principles, and structures in the biological domain. To deal with the obstacles of cross-domain knowledge acquisition in the existing biologically inspired design process, functional semantic clustering based on functional feature semantic correlation and environmental constraint clustering composition based on environmental characteristic constraining adaptability are proposed. A knowledge cell clustering algorithm and the corresponding prototype system is developed. Finally, the effectiveness of the method is verified by the visual prosthetic device design.Keywords: knowledge clustering, knowledge acquisition, knowledge based engineering, knowledge cell, biologically inspired design
Procedia PDF Downloads 4032276 Indo-US Strategic Collaboration in Space Capabilities and its Effect on the Stability of South Asian Region
Authors: Shahab Khan, Damiya Saghir
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With the advent of space technology, a new era began where space, considered the new ‘High ground,’ is used for a variety of commercial (communications, weather and navigational information, Earth resources monitoring and imagery) and military applications (surveillance, tracking, reconnaissance and espionage of adversaries). With the ever-evolving geo-political environment, where now the US foreseeing India as a counterbalance to China’s economic and military rise, significant growth in strategic collaboration between US and India has been witnessed, particularly in the space domain. This is creating a strategic imbalance in South Asia with implications for all regional countries. This research explores the present and future of Indo-US strategic collaboration in the space domain with envisaged effects and challenges for countries in the South Asian region.Keywords: space, satellites, Indo-US strategic agreements in space domain, balance of power in South Asian region
Procedia PDF Downloads 842275 Prevalence of Anemia and Iron Deficiency in Women of Childbearing Age in the North-West of Libya
Authors: Mustafa Ali Abugila, Basma Nuri Kajruba, Hanan Elhadi, Rehab Ramadan Wali
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Iron deficiency anemia is characterized by a decrease of Hb (hemoglobin), serum iron, ferritin, and RBC (red blood cells) (shape and size). Also, it is characterized by an increase in total iron binding capacity (TIBC). Red blood cells become microctytic and hypochromic due to a decrease in iron content. This study was conducted in the north west of Libya and included 210 women in childbearing age (18-45 years) who were visiting women clinic. After filling the questionnaire, blood samples were taken and analyzed for hematological and biochemical profiles. Biochemical tests included measurement of serum iron, ferritin, and total iron binding capacity (TIBC). Among the total sample (210 women), there were 87 (41.42%) pregnant and 123 (58.57%) non-pregnant women (includes married and single). Pregnant women (87) were classified according to the gestational age into first, second, and third trimesters. The means of biochemical and hematological parameters in the studied samples were: Hb = 10.37± 2.02 g/dl, RBC = 3.78± 1.037 m/m3, serum iron 61.86± 40.28 µg/dl, and TIBC = 386.01 ± 94.91 µg/dl. In this study, we considered that any women have hemoglobin below 11.5 g/dl is anemic. 89.1%, 69.5%, and 47.8% of pregnant women who belong to third trimester had low (below normal value) Hb, serum iron, and ferritin, i.e. iron deficiency anemia was more common in third trimester among the first and the second trimesters. Third trimester pregnant women also had high TIBC more than first and second trimesters.Keywords: red blood cells, hemoglobin, total iron binding capacity, ferritin
Procedia PDF Downloads 4952274 Quality of Life of Elderly People in Urban West Bengal, India
Authors: Debalina Datta, Pratyaypratim Datta, Kunal Kanti Majumdar
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Introduction: In India 8.1% of total population is elderly. The standard of living and meaningfulness of life are indirectly measured by assessing quality of life of elderly. So, it is important to improve quality of life. Quality of life is an individual’s understanding of his/ her life situation with respect to his/ her values and cultural context as well as in relation to his/her goals, expectations and concerns. The present study was planned to assess the quality of life of geriatric people in urban West Bengal, India. Materials and methods: It was a community based cross sectional observational study conducted among people aged 60 years and above in Kolkata and Sonarpur region of West Bengal, India. Data collection was done by house to house visit using Quality of Life- BREF questionnaire (WHOQOL-BERF) developed by WHO. Analysis of quality of life of physical, psychological, social relationship and environmental domain was done using SPSS (version 16.0). Results: Transformed score (0-100 scale) was used for each domain. Mean of physical, psychological, social relationship and environmental domain were found to be 42.25, 40.84, 39.62 and 48.36 respectively. There was no significant difference in score between Kolkata and Sonarpur people in any domain except social relationship domain, where people living at Sonarpur scored significantly better. Conclusion: Rehabilitation of old age people can be done by improving their quality of life. Social interaction with people of all ages, allowing them to take important family decision, engaging them in different social activities can help a lot.Keywords: quality of life, elderly, Urban West Bengal, India
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