Journal Articles
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Item Reducing the effect of wrist variation on pattern recognition of Myoelectric Hand Prostheses Control through Dynamic Time Warping(Elsevier Ltd, 2020) Powar, O.S.; Chemmangat, K.For upper limb prostheses, research carried out earlier mainly focused on increasing the classification accuracy of the hand movements; but there exist a little work done on factors affecting it in real-time control such as wrist variation. Amputees with functional wrist use their prostheses in multiple wrist positions. Since the Electromyography (EMG) data is taken while the subject is performing the motion in different wrist position, it can degrade the performance of the Pattern Recognition (PR) system. In this work, a wrist independent PR scheme has been developed. In this regard, Dynamic Time Warping (DTW) is used to overcome the effects due to wrist variation. The performance of the DTW scheme as a PR system is validated using two training methods; with classification accuracy as a performance measure on data taken from the database of ten intact subjects for six hand motions carried out at three different wrist orientations. On the database, an average classification accuracy of about 93.3% was obtained while trained using EMG data from all possible wrist positions. The effectiveness of the method is demonstrated in terms of classification accuracy and processing time when compared with the Time-domain power spectral descriptors (TD-PSD) method which outperformed other methods in the literature for reducing the impact of wrist variation on EMG based PR. The results show that the DTW can be a computationally cheap and accurate PR system for real-time hand movement classification. © 2019 Elsevier LtdItem Impact of coronary tortuosity on the artery hemodynamics(Elsevier Sp. z o.o., 2020) Buradi, A.; Mahalingam, A.The presence of tortuosity in coronary artery (CA) affects the local wall shear stress (WSS) which is an influencing hemodynamic descriptor (HD) for the development of atherosclerotic sites. To conduct a morphological parametric study in coronary arteries (CAs), several idealized tortuous artery models were obtained by varying three morphological indices namely, curvature radius (CR), distance between two bends (DBB) and the angle of bend (AoB). Computational fluid dynamics methodology with multiphase mixture theory is used to explore the effect of coronary tortuosity on various WSS based hemodynamic descriptors (HDs) namely, time-averaged WSS, oscillatory shear index, time-averaged WSS gradient, endothelial cell activation potential and the relative residence time that are used to determine the vulnerable locations for the onset of thrombosis and atherosclerosis. Our findings suggest that all the tortuosity morphological indices, CR, DBB and AoB have significant influence on the distributions of various HDs and hemodynamics. It is also observed that atherosclerosis prone sites were witnessed at the inner artery wall at downstream regions of the bend section 1 and bend section 2 in all the tortuous artery models studied and found to increase as the CR and DBB were reduced however, found to increase as the AoB is increased. Hence, severe coronary tortuosity in CAs with small CR, small DBB and higher AoB may have lower WSS zones at inner bend sections which promote atherosclerosis plaque progression. The analysis obtained from this multiphase blood flow study can be employed potentially in the clinical assessment on the severity of atherosclerosis lesions as well as in understanding the underlying mechanisms of localization and formation of atherosclerotic plaques. © 2019 Nalecz Institute of Biocybernetics and Biomedical Engineering of the Polish Academy of SciencesItem Computational analysis of therapeutic enzyme uricase from different source organisms(Bentham Science Publishers P.O. Box 294 Bussum 1400 AG, 2020) Nelapati, A.K.; JagadeeshBabu, J.Background: Hyperuricemia and gout are the conditions, which is a response of accumulation of uric acid in the blood and urine. Uric acid is the product of purine metabolic pathway in humans. Uricase is a therapeutic enzyme that can enzymatically reduces the concentration of uric acid in serum and urine into more a soluble allantoin. Uricases are widely available in several sources like bacteria, fungi, yeast, plants and animals. Objective: The present study is aimed at elucidating the structure and physiochemical properties of uricase by insilico analysis. Methods: A total number of sixty amino acid sequences of uricase belongs to different sources were obtained from NCBI and different analysis like Multiple Sequence Alignment (MSA), homology search, phylogenetic relation, motif search, domain architecture and physiochemical properties including pI, EC, Ai, Ii, and were performed. Results: Multiple sequence alignment of all the selected protein sequences has exhibited distinct difference between bacterial, fungal, plant and animal sources based on the position-specific existence of conserved amino acid residues. The maximum homology of all the selected protein sequences is between 51-388. In singular category, homology is between 16-337 for bacterial uricase, 14-339 for fungal uricase, 12-317 for plants uricase, and 37-361 for animals uricase. The phylogenetic tree constructed based on the amino acid sequences disclosed clusters indicating that uricase is from different source. The physiochemical features revealed that the uricase amino acid residues are in between 300-338 with a molecular weight as 33-39kDa and theoretical pI ranging from 4.95-8.88. The amino acid composition results showed that valine amino acid has a high average frequency of 8.79 percentage compared to different amino acids in all analyzed species. Conclusion: In the area of bioinformatics field, this work might be informative and a stepping-stone to other researchers to get an idea about the physicochemical features, evolutionary history and structural motifs of uricase that can be widely used in biotechnological and pharmaceutical industries. Therefore, the proposed in silico analysis can be considered for protein engineering work, as well as for gout therapy. © 2020 Bentham Science Publishers.Item The bioisosteric modification of pyrazinamide derivatives led to potent antitubercular agents: Synthesis via click approach and molecular docking of pyrazine-1,2,3-triazoles(Elsevier Ltd, 2020) Reddyrajula, R.; Udayakumar, U.Tuberculosis remains as a major public health risk which causes the highest mortality rate globally and an improved regimen is required to treat the drug-resistant strains. Pyrazinamide is a first-line antitubercular drug used in combination therapy with other anti-TB drugs. Herein, we describe the modification of pyrazinamide structure using bioisosterism and rational approaches by incorporating the 1,2,3-triazole moiety. Three sets of pyrazine-1,2,3-triazoles (3a-o, 5a-o and 9a-l) are designed, synthesized and evaluated for their in vitro inhibitory potency against mycobacterium tuberculosis H37Rv. The pyrazine-1,2,3-triazoles synthesized through the bioisosteric modification displayed improved activity as compared to rationally modified pyrazine-1,2,3-triazoles. Among 42 title compounds, seven derivatives demonstrated significant anti-tubercular activity with the MIC of 1.56 ?g/mL, which are two-fold more potent than the parent compound pyrazinamide. Further, the synthesized pyrazinamide analogs demonstrated moderate inhibition activity against several bacterial strains and possessed an acceptable in vitro cytotoxicity profile as well. Additionally, the activity profile of pyrazine-1,2,3-triazoles was validated by performing the molecular docking studies against the Inh A enzyme. Furthermore, in silico ADME prediction revealed good oral bioavailability for the potent molecules. © 2019 Elsevier LtdItem Effect of hydrophobic and hydrogen bonding interactions on the potency of ß-alanine analogs of G-protein coupled glucagon receptor inhibitors(John Wiley and Sons Inc. P.O.Box 18667 Newark NJ 07191-8667, 2020) Venugopal, P.P.; Das, B.K.; Soorya, E.; Chakraborty, D.G-protein coupled glucagon receptors (GCGRs) play an important role in glucose homeostasis and pathophysiology of Type-II Diabetes Mellitus (T2DM). The allosteric pocket located at the trans-membrane domain of GCGR consists of hydrophobic (TM5) and hydrophilic (TM7) units. Hydrophobic interactions with the amino acid residues present at TM5, found to facilitate the favorable orientation of antagonist at GCGR allosteric pocket. A statistically robust and highly predictive 3D-QSAR model was developed using 58 ?-alanine based GCGR antagonists with significant variation in structure and potency profile. The correlation coefficient (R2) and cross-validation coefficient (Q2) of the developed model were found to be 0.9981 and 0.8253, respectively at the PLS factor of 8. The analysis of the favorable and unfavorable contribution of different structural features on the glucagon receptor antagonists was done by 3D-QSAR contour plots. Hydrophobic and hydrogen bonding interactions are found to be main dominating non-bonding interactions in docking studies. Presence of highest occupied molecular orbital (HOMO) in the polar part and lowest unoccupied molecular orbital (LUMO) in the hydrophobic part of antagonists leads to favorable protein-ligand interactions. Molecular mechanics/generalized born surface area (MM/GBSA) calculations showed that van der Waals and nonpolar solvation energy terms are crucial components for thermodynamically stable binding of the inhibitors. The binding free energy of highly potent compound was found to be ?63.475 kcal/mol; whereas the least active compound exhibited binding energy of ?41.097 kcal/mol. Further, five 100 ns molecular dynamics simulation (MD) simulations were done to confirm the stability of the inhibitor-receptor complex. Outcomes of the present study can serve as the basis for designing improved GCGR antagonists. © 2019 Wiley Periodicals, Inc.Item Novel immobilized ternary photocatalytic polymer film based airlift reactor for efficient degradation of complex phthalocyanine dye wastewater(Elsevier B.V., 2020) Das, S.; Mahalingam, H.Reduced graphene oxide (rGO) as well as graphitic carbon nitride (g-C3N4) catalysts were synthesized and a physical admixture of rGO and g-C3N4 along with TiO2 in the ratio of 1:1:1 by weight was immobilized in a polystyrene film using the facile solvent casting method. An internal loop airlift reactor with a working volume of 1.2 litres incorporating the prepared polymer-based photocatalytic film was designed and tested for the photocatalytic degradation of remazol turquoise blue dye synthetic wastewater. The reactor parameters affecting the photocatalytic activity such as airflow rate and Di/Do (ratio of draft tube diameter to outer tube diameter) were evaluated. The successful operation of the reactor obtained using the ternary immobilized catalyst mixture film gave 92.25% total organic carbon reduction and 94% decolourization within 140 min, compared to 91% decolourization by the slurry form within 40 min. Complete and quicker decolourization of the dye was also demonstrated under the influence of O3 or H2O2. The immobilized catalyst was successfully reused four times. The ternary catalyst admixture employed in this work and the unique design of the photocatalytic reactor helps to increase the degradation rate of toxic textile effluents thus making it suitable for larger scales of treatment. © 2019 Elsevier B.V.Item Dual property of chitosan blended copolymer membranes: Antidiabetic drug release profile and antimicrobial assay(Elsevier B.V., 2020) Jaisankar, E.; Pavithra, M.E.; Krishna, S.; Thirumarimurugan, M.; Azarudeen, R.S.Membranes were fabricated from a blend of synthetic copolymer (thiourea, phenylhydrazine and formaldehyde) and chitosan to study the metformin drug release profile and its kinetics. The membranes were characterized with elemental, scanning electron microscopy, FTIR and 1H NMR spectroscopy to identify the empirical formula & weight, surface morphology and functional group changes occurred during the incorporation of chitosan to the copolymer. The swelling behaviour, drug loading efficiency and drug release profile of the membranes were studied using UV–visible spectroscopy. The mechanical properties and in vitro degradation studies were also performed. The reactive sites, better porosity and larger surface area provided by chitosan to the copolymer led to higher drug loading efficiency and controlled drug release profile. Kinetic study revealed swelling and diffusion controlled mechanism for the membranes, which obtained from Ritger-Peppas and Higuchi model. The chitosan and its copolymer membranes were tested for antimicrobial assay using selective gram-positive and gram-negative bacterial and fungal strains. The CS-TPF-drug membranes showed an acceptable control of the growth of all the microbial species compared to CS, CS-drug and the standard metformin drug. © 2019 Elsevier B.V.Item Multi-ENPS simulator support tool with automatic file inter-conversion and multi-membrane execution(Elsevier Ireland Ltd, 2020) Raghavan, S.; Gangadhar, Y.; Pattar, V.; Chandrasekaran, K.P System or Membrane Computing is an unconventional and natural computing model inspired by the functioning of a living cell. This model has an inherently parallel structure. There are several variants of P System developed, each of which has a different application. One of the variants, Enzymatic Numerical P System (ENPS), has primarily been developed to be used with numerical values (as in economics) and thus has vast applications. For realizing ENPS there are several tools available, primarily based on Java and Python, each of which has a different input format. Currently, there is no tool which allows the user to execute ENPS using both the simulators on the same platform, the issue being inter-conversion between input formats, namely, XML and PeP (specific format designed for Python based ENPS). Another major issue with existing simulators is their inability to allow multiple membrane systems to be executed and there is no facility for interconnection between two membrane systems. A tool developed here solves both problems namely, file inter-conversion and multiple membrane support by transferring dependent variable values automatically according to users’ choice. The tool is developed using Python 3.0 and has only a few dependencies. The tool is tested under different scenarios and the results confirm the correctness of the tool. © 2019 Elsevier B.V.Item Occurrence and environmental risks of nonsteroidal anti-inflammatory drugs in urban wastewater in the southwest monsoon region of India(Springer, 2020) Thalla, A.K.; Vannarath, A.S.Municipal wastewater treatment plants (MWWTPs) are considered to reduce the amount of pollutants that enter water reservoirs as a result of wastewater disposal. An assessment of the occurrence and removal of pharmaceutical compounds, mainly nonsteroidal anti-inflammatory drugs (NSAIDs), in wastewater from the Kavoor MWWTP (southwest monsoon region), India, is presented in this paper. The performance of the MWWTP was monitored in the summer (May) and monsoon (September) periods. The highest inlet concentrations of diclofenac, naproxen, ibuprofen, ketoprofen, and acetylsalicylic acid in the wastewater were observed in May and were 721.37, 2132.48, 2109.875, 2747.29, and 2213.36 ?g/L, respectively. The ketoprofen content was found to be higher than that of other NSAIDs in the influent in both seasons, whereas the diclofenac content was found to be the lowest. The removal efficiency (RE) of the target NSAIDs in the Kavoor secondary treatment plant varied from 81.82–98.92% during the summer season. During the monsoon season, the influent NSAID concentration level dropped, probably because of infiltration in old sewer pipes. In addition, a 100% RE was achieved for all the target NSAIDs in the wastewater of the MWWTP. The results showed that secondary treatment plants have the potential to remove NSAID compounds from municipal sewage with consistent performance. The environmental hazards caused by the accumulation of such compounds in water reservoirs are due to open discharge. The environmental risk levels of these compounds were also studied by the environmental risk assessment (ERA) using the European Agency for Evaluation of Medicines approach. © 2020, Springer Nature Switzerland AG.Item Novel application of maghemite nanoparticles coated bacteria for the removal of cadmium from aqueous solution(Academic Press, 2020) Devatha, C.P.; S, S.Heavy metals are classified as persistent pollutants owing to their nature of bioaccumulation and affect human life and environment, even in minor concentrations. Divalent Cadmium (Cd2+) is one of the heavy metal pollutants that are highly toxic. The present study investigates the novel application of maghemite nanoparticles coated Bacillus subtilis for the removal of Cd2+ ions from its aqueous solution by batch adsorption studies. Surface characterization of the biosorbent done by Scanning Electron Microscope (SEM) and the presence of maghemite nanoparticle coat was confirmed. Parameters like pH, initial metal ion concentration, contact time, and temperature that affect the biosorption of cadmium ions are analyzed, and the equilibrium adsorption capacity expressed as a function of each of the parameters. The mechanism of biosorption was studied by plotting adsorption isotherms, and it follows pseudo-second-order kinetics. Thermodynamic studies showed the process to be spontaneous and endothermic. At optimum conditions of pH 4, 30 °C, 120 rpm, maximum removal percentage of 83.5%, which accounts for an equilibrium adsorption capacity of 32.6 mg/g of biosorbent. There was a recovery of 76.4% of the biosorbent after adsorption studies. Based on the adsorptive capacity and good recovery of the biosorbent, maghemite coated Bacillus subtilis proves to be an efficient adsorbent for the removal of Cd2+ ions from its aqueous solution. © 2019 Elsevier Ltd