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                <text>Solution structure of the tachykinin peptide eledoisin</text>
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                <text>Both the aqueous and the lipid-induced structure of eledoisin, an undecapeptide of mollusk origin, have been studied by two-dimensional proton nuclear magnetic resonance spectroscopy and distance geometry calculations. Unambiguous nuclear magnetic resonance assignments of protons have been made with the aid of correlation spectroscopy experiments and nuclear Overhauser effect spectroscopy experiments. The distance constraints obtained from the nuclear magnetic resonance data have been utilized in a distance geometry algorithm to generate a family of structures, which have been refined using restrained energy minimization and dynamics. These data show that, while in water and dimethyl sulfoxide, eledoisin prefers to be in an extended chain conformation, whereas in the presence of perdeuterated dodecylphosphocholine micelles, a membrane model system, helical conformation is induced in the central core and C-terminal region (K4-M11) of the peptide. N terminus, though less defined, also displays some degree of order and a possible turn structure. The conformation adopted by eledoisin in the presence of dodecylphosphocholine micelles is similar to the structural motif typical of neurokinin-2 selective agonists and with that reported for kassinin in hydrophobic environment.</text>
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                <text>Grace R.C.R.; Chandrashekar I.R.; Cowsik S.M.</text>
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                <text>Biophysical Journal, Vol-84, No. 1, pp. 655-664.</text>
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                <text>Biophysical Society</text>
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                <text>&lt;a href="https://doi.org/10.1016/S0006-3495(03)74885-1" target="_blank" rel="noreferrer noopener"&gt;https://doi.org/10.1016/S0006-3495(03)74885-1&lt;/a&gt;
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                <text>All Open Access; Bronze Open Access; Green Open Access</text>
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                <text>ISSN: 63495; PubMed ID: 12524318; CODEN: BIOJA</text>
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                <text>Grace R.C.R., Post Graduate Department of Physics, Christ College, Bangalore 560 029, India; Chandrashekar I.R., School of Life Sciences, Jawaharlal Nehru University, New Delhi 110 067, India; Cowsik S.M., School of Life Sciences, Jawaharlal Nehru University, New Delhi 110 067, India</text>
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                <text>Solutions for time-fractional coupled nonlinear Schringer equations arising in optical solitons</text>
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                <text>Caputo derivative; Coupled nonlinear Schringer equations; Laplace transform; q-homotopy analysis transform method</text>
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                <text>In this work, an efficient novel technique, namely, the q-homotopy analysis transform method (q-HATM) is applied to obtain analytical solutions for a system of time-fractional coupled nonlinear Schringer (TF-CNLS) equations with the time-fractional derivative taken in the Caputo sense. This system of equations incorporate nonlocality behaviors which cannot be modeled under the framework of classical calculus. With numerous important applications in nonlinear optics, it describes interactions between waves of different frequencies or the same frequency but belonging to different polarizations. We first establish existence and uniqueness of solutions for the considered time-fractional problem via a fixed point argument. To demonstrate the effectiveness and efficiency of the q?HATM, two cases each of two time-fractional problems are considered. One important feature of the q?HATM is that it provides reliable algorithms which can be used to generate easily computable solutions for the considered problems in the form of rapidly convergent series. Numerical simulation are provided to capture the behavior of the state variables for distinct values of the fractional order parameter. The results demonstrate that the general response expression obtained by the q?HATM contains the fractional order parameter which can be varied to obtain other responses. Particularly, as this parameter approaches unity, the responses obtained for the considered fractional equations approaches that of the corresponding classical equations.  2021 The Physical Society of the Republic of China (Taiwan)</text>
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                <text>Okposo N.I.; Veeresha P.; Okposo E.N.</text>
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                <text>Chinese Journal of Physics, Vol-77, pp. 965-984.</text>
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              <elementText elementTextId="107273">
                <text>Elsevier B.V.</text>
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                <text>2022-01-01</text>
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                <text>&lt;a href="https://doi.org/10.1016/j.cjph.2021.10.014" target="_blank" rel="noreferrer noopener"&gt;https://doi.org/10.1016/j.cjph.2021.10.014&lt;/a&gt;
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                <text>ISSN: 5779073</text>
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                <text>Okposo N.I., Department of Mathematics, Delta State University, Abraka, PMB 1, Delta state, Nigeria; Veeresha P., Center for Mathematical Needs, Department of Mathematics, CHRIST (Deemed to be University), Bengaluru, 560029, India; Okposo E.N., Department of Mathematics, University of Delta, Agbor, PMB 2090, Delta state, Nigeria</text>
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                <text>Solvent free microwave assisted synthesis and evaluation of potent antimicrobial activity of 1,11H-pyrimido [4,5-a]carbazol-2-ones, 1 11h-pyrimido [4,5-a]-2-thiones and pyrazolo [3,4-a] carbazoles</text>
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                <text>Department of Chemistry</text>
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                <text>Vol. 52B, March</text>
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                <text>Vijayasankar A V</text>
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                <text>&lt;a href="http://nopr.niscair.res.in/bitstream/123456789/16256/1/IJCB%2052B%283%29%20414-421.pdf" target="_blank" title="Click Here" rel="noreferrer noopener"&gt;http://nopr.niscair.res.in/bitstream/123456789/16256/1/IJCB%2052B%283%29%20414-421.pdf&lt;/a&gt;</text>
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                <text>Indian Journal of Chemistry</text>
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                <text>Solvent free microwave assisted synthesis and evaluation of potent antimicrobial activity of 1,11H-pyrimido[4,5-a]carbazol-2-ones, 1,11H-pyrimido [4,5-a]carbazol-2-thiones and pyrazolo[3,4-a]carbazoles</text>
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                <text>Antimicrobial activity; Microwave irradiation; Pyrazolo carbazoles; Pyrimido carbazoles</text>
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                <text>Microwave assisted condensation of urea, thiourea and hydrazine hydrate with 1-chloro-2-formyl carbazoles in the presence of PTSA as catalyst yields 1,11H-pyrimido[4,5-a]carbazol-2-ones, 1,11H-pyrimido[4,5-a]carbazol-2-thiones and pyrazolo[3,4-a]carbazoles, respectively. The structures of the synthesized compounds have been confirmed on the basis of elemental analysis and spectral data. All the synthesized compounds have been evaluated for their antibacterial and antifungal activities. Some of the synthesized compounds 2a-g and 3a-g exhibit significant antibacterial activity against Escherichia coli and Pseudomonas aeruginosa. The compounds 2a-g and 3a-g exhibit good antifungal activity against Candida albicans, Aspergillus flavus. Pyrazolo[3,4-a]carbazoles 4a-g register good antibacterial activity against Escherichia coli and Pseudomonas aeruginosa. The compound 4e indicate maximum activity of 20 and 24 mm at 500 and 1000?g/disc, respectively, against Lipomyces lopofera fungi.</text>
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              <elementText elementTextId="139521">
                <text>Velmurugan R.; Vijayasankar A.V.; Sekar M.</text>
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                <text>Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, Vol-52, No. 3, pp. 414-421.</text>
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                <text>2013-01-01</text>
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                <text>&lt;a href="" target="_blank" rel="noreferrer noopener"&gt;&lt;/a&gt;
&lt;br /&gt;&lt;br /&gt;&lt;a href="https://www.scopus.com/inward/record.uri?eid=2-s2.0-84874871086&amp;amp;partnerID=40&amp;amp;md5=1242ec98afa0b51eb2ed564d22209a35" target="_blank" rel="noreferrer noopener"&gt;https://www.scopus.com/inward/record.uri?eid=2-s2.0-84874871086&amp;amp;partnerID=40&amp;amp;md5=1242ec98afa0b51eb2ed564d22209a35&lt;/a&gt;</text>
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                <text>Velmurugan R., Post Graduate and Research Department of Chemistry, Sri Ramakrishna Mission Vidyalaya College of Arts and Science, Coimbatore 641 020, India; Vijayasankar A.V., Department of Engineering Chemistry, Christ University, Bangalore 560 029, Karnataka, India; Sekar M., Post Graduate and Research Department of Chemistry, Sri Ramakrishna Mission Vidyalaya College of Arts and Science, Coimbatore 641 020, India</text>
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                <text>The current work comprises synthesis, characterization and computational evaluation on 3,3,5-triphenylfuran-2(3H)-one with density functional theory (DFT) as the underlying principle. The theoretical optimized structure and corresponding geometrical parameters were obtained. Multiwfn 3. 8 was employed to conduct topological investigations such as R D G, E L F, L O L, and charge transfer analyses, which are used to identify the excited states, non-covalent interactions and important bonding regions in the molecule. Effect of solvents on the variation in molecular properties were studied with different polar solvents, with the IEFPCM model, as furanones interact with more polar solvents. The solvation studies were shown to impact on F M O, UV, M E P, and NLO analysis and thus between gas and solvent phases, a variation is observed in the properties under study. N B O studies were analysed to identify the natural bond orbitals within the molecule that contribute the maximum to the stabilization energy of the title compound. Pharmacological evaluation using readily available online tools that include SwissADME, Pre-ADMET, GUSAR, and ADMETLab 2.0 to determine the medicinal chemistry properties of the molecule was done. Furthermore, molecular docking onto chosen anticancer protein targets is performed utilising the softwares AutoDock Suite. PyMOL,and Discovery Studio Visualizer, is used to determine the best docked conformations that suggest potential capability of the compound to inhibit these proteins and protect the body from cancerous growths.  2022 Elsevier B.V.</text>
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                <text>Cherian Parakkal S., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Bengaluru, 560029, India; Datta R., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Bengaluru, 560029, India; Saral A., Department of Chemistry, Panimalar Engineering, Tamil Nadu, Chennai, 600 123, India; Muthu S., Department of Physics, Arignar Anna Govt. Arts College, 604407 Tamil Nadu, Cheyyar, India; Irfan A., Research Center for Advanced Materials Science (RCAMS), King Khalid University, P.O. Box 9004, Abha, 61413, Saudi Arabia, Department of Chemistry, College of Science, King Khalid University, P.O. Box 9004, Abha, 61413, Saudi Arabia; Jeelani A., Department of Physics, Lakshmi Bangaru Arts and Science College, Melmaruvathur 603319, Tamil Nadu, India</text>
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                <text>Solvent-solute interaction, thermodynamic behaviour, structural, chemical and anti-cancer biological properties of 3(2H)-furanone derivatives</text>
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                <text>In this work, the structures, reactivities, and electronic and biological properties of the 3(2H)-furanone derivatives, 2-hydroxy-2,5-diphenyl-4-(phenylamino)furan-3(2H)-one (HDPF), 2-methoxy-2,4,5-triphenylfuran-3(2H)-one (MTPF), 3-oxo-2,4,5-triphenyl-2,3-dihydrofuran-2-yl acetate (OTDF), and 2-chloro-2,4,5-triphenylfuran-3(2H)-one (CTPF), are explored via theoretical investigations using DFT (Density Functional Theory) techniques as the main tools for the study. The DFT studies include geometry optimisation, FMO (Frontier Molecular Orbital) analysis, theoretical UV studies, molecular electrostatic potential (MEP) investigations, non-linear optical (NLO) analyses, and the evaluation of thermodynamic parameters. Multiwfn 3.8 software is utilised to conduct the topological analyses. The ADME (Absorption, Distribution, Metabolism, Excretion) profiles are produced with the SwissADME online tool. The target proteins, MCL-1 (Myeloid cell leukemia-1), BCL-2 (B-cell lymphoma-2), and myeloblastin, are docked with the title molecules using AutoDock 1.5.6.  2023 Elsevier B.V.</text>
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                <text>Journal of Molecular Liquids, Vol-390</text>
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                <text>Parakkal S.C., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Bengaluru, 560029, India; Datta R., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Bengaluru, 560029, India; Muthu S., Department of Physics, Arignar Anna Govt. Arts College, Tamil Nadu, Cheyyar, 604407, India; Alharbi N.S., Department of Botany and Microbiology, College of Science, King Saud University, P.O Box 2455, Riyadh, 11451, Saudi Arabia; Abbas G., Institute of Inorganic Chemistry, Karlsruhe Institute of Technology, Engesserstr 15, Karlsruhe, 76131, Germany</text>
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                <text>Solvent-solute polarity, electrophilic, steric effects, reactive sites, themodynamic quantities discussion and biological evaluation of lung cancer antiproliferative activities of spirobrassinin derivatives</text>
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                <text>The current study of spirobrassinin and its related compounds, 1-methoxyspirobrassinol and the 5-bromo analogue of methoxyspirobrassinin is performed to reveal a comparison among these molecules to understand which is the most reactive and bioactive. DFT (Density Functional Theory) studies comprising geometry optimisation (energy minimisation), FMO (Frontier Molecular Orbital) Analysis, theoretical UV analysis, NLO (Non-Linear Optics), NBO (Natural Bond Orbital) and thermodynamics studies are performed using Gaussian 09W. IEFPCM model is employed to investigate the solvent effect on the reactivity and stability of the title compounds. ADME profiles are generated using SwissADME, PreADMET and ADMETLab 2.0. Interesting lung cancer target proteins are docked with the title compounds is finally performed to obtain insight into the molecules' anticancer potential.  2023 Elsevier B.V.</text>
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                <text>Parakkal S.C., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Bengaluru, 560 029, India; Muthu S., Department of Physics, Arignar Anna Govt. Arts College, Tamil Nadu, Cheyyar 604 407, India; Datta R., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Bengaluru, 560 029, India; Kadaikunnan S., Department of Botany and Microbiology, College of Science, King Saud University, P.O. Box 2455, Riyadh, 11451, Saudi Arabia; Abbas G., Institute of Inorganic Chemistry, Karlsruhe Institute of Technology, Engesserstr 15, Karlsruhe, 76131, Germany</text>
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                <text>Prasad, Sahana.</text>
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                <text>&lt;a href="https://www.worldwidejournals.com/international-journal-of-scientific-research-(IJSR)/article/some-interesting-case-studies-using-bayes-theorem/NTI1MA==/?is=1" target="_blank" title="Some interesting case studies using bayes theorem" rel="noreferrer noopener"&gt;https://www.worldwidejournals.com/international-journal-of-scientific-research-(IJSR)/article/some-interesting-case-studies-using-bayes-theorem/NTI1MA==/?is=1&lt;/a&gt;</text>
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                <text>Some New Results on ?(k) -Coloring of Graphs</text>
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                <text>bad edges; Improper coloring; near proper coloring; ?(k) -coloring</text>
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                <text>Let ? be the minimum number of distinct resources or equipment such as channels, transmitters, antennas and surveillance equipment required for a system's stability. These resources are placed on a system. The system is stable only if the resources of the same type are placed far away from each other or, in other words, they are not adjacent to each other. Let these distinct resources represent different colors assigned on the vertices of a graph G. Suppose the available resources, denoted by k, are less than ?. In that case, placing k resources on the vertices of G will make at least one equipment of the same type adjacent to each other, which thereby make the system unstable. In ?(k)-coloring, the adjacency between the resources of a single resource type is tolerated. The remaining resources are placed on the vertices so that no two resources of the same type are adjacent to each other. In this paper, we discuss some general results on the ?(k)-coloring and the number of bad edges obtained from the same for a graph G. Also, we determine the minimum number of bad edges obtained from ?(k)-coloring of few derived graph of graphs. The number of bad edges which result from a ?(k)-coloring of G is denoted by bk(G).   2023 World Scientific Publishing Company.</text>
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                <text>Ellumkalayil M.T.; Samuel L.C.; Naduvath S.</text>
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                <text>Journal of Interconnection Networks, Vol-23, No. 3</text>
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                <text>&lt;a href="https://doi.org/10.1142/S0219265922500104" target="_blank" rel="noreferrer noopener"&gt;https://doi.org/10.1142/S0219265922500104&lt;/a&gt;
&lt;br /&gt;&lt;br /&gt;&lt;a href="https://www.scopus.com/inward/record.uri?eid=2-s2.0-85148725961&amp;amp;doi=10.1142%2FS0219265922500104&amp;amp;partnerID=40&amp;amp;md5=a075f1bbb1110a80bf7f7f78500da013" target="_blank" rel="noreferrer noopener"&gt;https://www.scopus.com/inward/record.uri?eid=2-s2.0-85148725961&amp;amp;doi=10.1142%2fS0219265922500104&amp;amp;partnerID=40&amp;amp;md5=a075f1bbb1110a80bf7f7f78500da013&lt;/a&gt;</text>
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                <text>ISSN: 2192659</text>
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                <text>Ellumkalayil M.T., School of Sciences, Christ University, Delhi NCR, 201003, India; Samuel L.C., Department of Computer Science, Dasve Lavasa, Mulshi, Pune, India; Naduvath S., Department of Mathematics, Christ University, Bangalore, India</text>
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              <elementText elementTextId="217468">
                <text>Jain, D. Falguni; Naduvath, Sudev</text>
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            <name>Title</name>
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                <text>Some new results on anti-adjacency spectra of regular graphs</text>
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                <text>Asian-European Journal of Mathematics;Volume;19;Issue;2;Article No.;2540008;</text>
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                <text>&lt;a href="https://doi.org/10.1142/S179355712540008X" target="_blank" rel="noreferrer noopener"&gt;https://doi.org/10.1142/S179355712540008X&lt;/a&gt; &lt;br /&gt;&lt;br /&gt;&lt;a href="https://www.scopus.com/pages/publications/105004399603?origin=resultslist" target="_blank" rel="noreferrer noopener"&gt;https://www.scopus.com/pages/publications/105004399603?origin=resultslist&lt;/a&gt;</text>
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                <text>Jain D.F., Department of Mathematics, Christ University, Bangalore, India; Naduvath S., Department of Mathematics, Christ University, Bangalore, India</text>
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                <text>The anti-adjacency matrix A*(G) of a simple graph G with V (G) = {v1,v2,v3,vn}, is a square matrix of order n with rows and columns indexed by V (G), where the (i,j)-entry (i?j) is 1, if the vertices vi and vj are not adjacent to each other and 0, otherwise. The (i,i)- entry of A*(G) is 1. The anti-adjacency eigenvalues of G are the eigenvalues obtained from the matrix A*(G) and the corresponding spectra is called the anti-adjacency spectra of G, denoted by a-spec(G). In this paper, we discuss the anti-adjacency spectra of join and disjoint union of regular graphs. The anti-adjacency spectra of bipartite regular graphs, line graphs of regular graphs and strongly regular graphs are also discussed.  2026 World Scientific Publishing Company.</text>
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            <description>The topic of the resource</description>
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              <elementText elementTextId="217475">
                <text>anti-adjacency eigenvalues; Anti-adjacency matrix; anti-adjacency spectrum</text>
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                <text>ISSN: 17935571;</text>
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                <text>Restricted Access; Hardcopy may be available in the library</text>
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          <element elementId="50">
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                <text>Some new results on equitable coloring parameters of graphs</text>
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          <element elementId="49">
            <name>Subject</name>
            <description>The topic of the resource</description>
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              <elementText elementTextId="131318">
                <text>Coloring mean; Coloring variance; Graph coloring; ?&lt;sub&gt;e&lt;/sub&gt;-chromatic mean; ?&lt;sub&gt;e&lt;/sub&gt;-chromatic variance</text>
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          <element elementId="41">
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            <description>An account of the resource</description>
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              <elementText elementTextId="131319">
                <text>An equitable coloring of a graph G is a proper vertex coloring C of G such that the cardinalities of any two color classes in G with respect to C differ by at most one. Coloring the vertices of a graph G subject to given conditions can be considered as a random experiment. In this context, a discrete random variable X can be defined as the color of a vertex chosen at random, with respect to the given type of coloring of G and a probability mass function for this random variable can be defined accordingly. In this paper, we discuss two statistical parameters of the powers of certain graph classes with respect to their equitable colorings.  2019, Univerzita Komenskeho. All rights reserved.</text>
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              <elementText elementTextId="131320">
                <text>Sudev N.</text>
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              <elementText elementTextId="131321">
                <text>Acta Mathematica Universitatis Comenianae, Vol-89, No. 1, pp. 109-122.</text>
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              <elementText elementTextId="131322">
                <text>Univerzita Komenskeho</text>
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&lt;br /&gt;&lt;br /&gt;&lt;a href="https://www.scopus.com/inward/record.uri?eid=2-s2.0-85077273641&amp;amp;partnerID=40&amp;amp;md5=d28a25f8af5171c2019b51aad8026b72" target="_blank" rel="noreferrer noopener"&gt;https://www.scopus.com/inward/record.uri?eid=2-s2.0-85077273641&amp;amp;partnerID=40&amp;amp;md5=d28a25f8af5171c2019b51aad8026b72&lt;/a&gt;</text>
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                <text>ISSN: 8629544</text>
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                <text>Sudev N., Department of Mathematics, CHRIST (Deemed to be University), Bangalore, 560029, Karnataka, India</text>
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