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Solvent-solute interaction, thermodynamic behaviour, structural, chemical and anti-cancer biological properties of 3(2H)-furanone derivatives
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. -
Solvent-solute polarity, electrophilic, steric effects, reactive sites, themodynamic quantities discussion and biological evaluation of lung cancer antiproliferative activities of spirobrassinin derivatives
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. -
Some case studies for non-parametric tests for ordinal data /
International Journal Of Advanced Research In Engineering Technology & Sciences, Vol.2, Issue 7, pp.309-313, ISSN No: 2394-2819. -
Some case studies on importance of variables and scales of measurement in social sciences research /
International Advanced Research Journal In Science, Engineering And Technology, Vol.2, Issue 3, pp.34-37, ISSN No: 2393-8021 (Online) 2394-1588 (Print). -
Some examples in usage of parametric tests /
International Journal of Research In Commerce IT And Management., Vol.5, Issue 11, ISSN No: 2231-5736. -
Some graphs with super vertex sum number 2
In this paper we give optimal super vertex sum labeling scheme for super subdivision of bi-star, path union of spider and algorithm to construct super vertex sum labeling of super subdivision of Caterpillar. 2018 Academic Publications. -
Some interesting case studies using bayes theorem /
International Journal Of Scientific Research, Vol.4, Issue 4, pp.522-523, ISSN No: 2277-8179. -
Some New Results on ?(k) -Coloring of Graphs
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. -
Some new results on equitable coloring parameters of graphs
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. -
Some new results on proper colouring of edge-set graphs
In this paper, we present a foundation study for proper colouring of edge-set graphs. The authors consider that a detailed study of the colouring of edge-set graphs corresponding to the family of paths is best suitable for such foundation study. The main result is deriving the chromatic number of the edge-set graph of a path, Pn+1, n ? 1. It is also shown that edge-set graphs for paths are perfect graphs. 2020 the author(s). -
Some New Results on the Rainbow Neighbourhood Number of Graphs
A rainbow neighbourhood of a graph G is the closed neighbourhood N[v] of a vertex v? V(G) which contains at least one coloured vertex of each colour in the chromatic colouring C of G. Let G be a graph with a chromatic colouring C defined on it. The number of vertices in G yielding rainbow neighbourhoods is called the rainbow neighbourhood number of the graph G, denoted by r?(G). Rainbow neighbourhood number of the complements and products of certain fundamental graph classes are discussed in this paper. 2018, The National Academy of Sciences, India. -
Some notes on z-scores and t-scores /
International Journal Of Scientific Research And Management, Vol.3, Issue 4, pp.2608-2610, ISSN No: 2321-3418. -
Some pointers on one way ANOVA in spss /
International journal For Research In Applied Science And engineering Technology, Vol.3, Issue 9, pp.298-301, ISSN No: 2321-9653. -
SOME RESULTS ON INJECTIVE CHROMATICS TOPOLOGICAL INDICES OF SOME GRAPHS
Graph coloring is an assignment of colors, labels or weights to the elements of graphs subject to certain conditions. Coloring the vertices of a graph G such that adjacent vertices possessing different colors is the notion of proper coloring. A proper coloring C of a graph G is called an injective coloring of G if any two vertices of G having the same neighbouring vertex have different colors in C. As a coloring analogue to Zagreb indices and irregularity indices in the literature, chromatic Zagreb and irregularity indices have been introduced very recently. In this paper, we introduce the notion of injective chromatic Zagreb indices and injective chromatic irregularity indices and determine these indices for some standard classes of graphs. 2019, RAMANUJAN SOCIETY OF MATHEMATICS AND MATHEMATICAL SCIENCES. All rights reserved. -
Sonochemical assisted impregnation of Bi2WO6 on TiO2 nanorod to form Z-scheme heterojunction for enhanced photocatalytic H2 production
In this work, Bi2WO6/TiO2 nanorod heterojunction was prepared by sonochemical assisted impregnation method. After loading 2 wt% Bi2WO6 on TiO2 nanorods, the photocatalytic hydrogen production rate of 2026 mol/h/g was achieved. Compared to commercial P25 and TiO2 nanorods, ?13 and ?3 folds enhanced activity was observed. The excellent photocatalytic performance of Bi2WO6/TiO2 nanorod photocatalyst was mainly attributed to i) reduction of bandgap due to heterojunction formation, ii) quick transport of photogenerated charge carriers, and iii) efficient charge carrier separation supported by UV-DRS, photocurrent measurement, Impedance study, and photoluminescence spectra analysis. The Z-scheme band alignment for Bi2WO6/TiO2 nanorod heterojunction was proposed based on the Mott-Schottky measurement. This result demonstrated the effective utilization of Z-scheme heterojunction of Bi2WO6/TiO2 for photocatalytic reduction application. 2021 The Society of Powder Technology Japan -
Source-load-variable voltage regulated cascaded DC/DC converter for a DC microgrid system
Solar energy is available abundantly, the utilization of solar energy is developing rapidly and the photovoltaic based direct current (DC) microgrid system design is under demand but the stability of the DC voltage is of most important issue, as the variation of the output DC voltage is a common problem when the load or source voltage varies, hence a regulated DC output voltage converter is proposed. This paper presents source-load-variable (SLV) voltage regulated cascaded DC/DC converter which is used to obtain regulated output voltage of 203.1 V DC at 0.4 duty ratio with 2% voltage fluctuations for the variation in the input source voltage and 1.5% voltage fluctuations for the variation in load resistance of the nominal value with lower output voltage ripple and without use of sub circuits. A simulation model of SLV voltage regulated cascaded DC/DC converter in LTspice XVII software environment for the assessment of converter performance at different input source voltages and load resistances are verified. 2023 Institute of Advanced Engineering and Science. All rights reserved. -
Space taxonomy: Need for a progressive tax regime
Konstantin Tsiolkovsky famously stated that while the Earth serves as the birthplace of humanity, it is not a place where mankind can indefinitely remain. Perhaps during that period, the prospect of exploring the mysteries of outer space appeared to be an unattainable aspiration. However, in the present day, there are no longer any limitations, not even the sky, since human ingenuity has facilitated access to outer space for humanity. This access is not just for the purposes of research and exploration but also for economic endeavours. Until now, the commercial utilisation of outer space has advanced at a very sluggish rate. However, firms including SpaceX, Orion Span, Virgin Galactic, and Blue Origin have achieved significant advancements in the growth of the space industry. The revenue generated by various space-related endeavours has experienced a significant 73% increase over the last ten years. The global space economy, estimated to be valued at USD one trillion in the coming years, is primarily driven by commercial activities. This presents a formidable challenge to the existing national and international taxation systems. Similar to the open seas, space is also considered res communis omnium, meaning it belongs to the entire community, and presents comparable taxing challenges with potentially uncertain solutions. The three fundamental elements of every taxation regulation, such as the Organisation for Economic Co-operation and Development or the United Nations Model Double Taxation Convention, are the taxpayer's place of residence, the origin of their income, and the methods by which they generate their money. The current tax system does not have the necessary concepts and provisions to adapt to the rapid advancements in commercial space technology. This paper examines the legal issues surrounding commercial activities conducted in space, including the nature and handling of the income generated in various legal systems. It also addresses concerns such as tax avoidance and excessive taxation, emphasising the necessity for a globally coordinated approach to effectively tax commercial activities in space. 2024 -
Spanning graph topology of graphs
The collection of subgraphs of a graph G containing G and the null graph K0, which is closed under union and intersection, is said to be a graph topology defined on G. In this paper, we investigate the idea of spanning graph topology of a graph G, where we consider the collection of spanning subgraphs of G satisfying the axioms analogous to the axioms of graph topology. We begin with the basic concepts of spanning graph topological space and later and introduce two spanning subgraph complements to define closed graphs in spanning graph topological spaces. 2023 World Scientific Publishing Company. -
Spatial analysis of CO poisoning in high temperature polymer electrolyte membrane fuel cells
The improved tolerance of the High Temperature-Polymer Electrolyte Membrane Fuel Cell (HT-PEMFC) to CO allows the use of reformate as an anode feed. However, the presence of several per cent of CO in the reformate, which is inevitable particularly in on-board reformation in automobiles, which otherwise demands complex systems to keep the CO level very low, will significantly lower the cell performance, especially when the HT-PEMFC is operated at 160 C or below. In this study, a three-dimensional, non-isothermal numerical model is developed and applied to a single straight-channel HT-PEMFC geometry. The model is validated against the experimental data for a broad range of current densities at different CO concentration and operating temperatures. A significant spatial variation in current density distribution is observed in the membrane because the CO sorption is a spatially non-homogeneous process depending on local operating conditions and dilution of the H2 stream. To investigate the local spatial effects on HT-PEMFC operation, the model is applied to a real cell of size 49.4 cm2 with an 8-pass serpentine flow-field at the anode and the cathode. The membrane and anode catalyst layer are segmented into 5 array to investigate the spatial resolution of the polarization curves, H2 concentration, current density, and anode polarization loss. The simulation results show that the presence of CO in the anode feed reduces cell performance, however, the results reveal that uniformity in current density distribution in the membrane improves when the cell is operated in potentiostatic mode. The results are discussed in detail with the help of several line plots and multi-dimensional contours. The study also emphasizes on the importance of optimizing the reformate anode feed rate to improve cell performance. 2020 Hydrogen Energy Publications LLC -
Spatial and seasonal association study between PM2.5 and related contributing factors in India
Global environmental pollution and rapid climate change have become a serious matter of concern. Remarkable spatial and seasonal variations have been observed due to rapid industrialization, urbanization, different festive occasions, etc. Among all the existing pollutants, the fine airborne particles PM2.5 (with aerodynamic equivalent diameter ?2.5?m) and PM10 (with aerodynamic equivalent diameter ?10?m) are associated with chronic diseases. This leads to carry out the study regarding the varying relationship between PM2.5 and other associated factors so that its concentration level might be under control. Existing literature has explored the geographical association between the pollutants and a few other important factors. To address this problem, the present study aims to explore the wide spatio-temporal relationships between the particulate matter (PM2.5) with the other associated factors (e.g., socio-demographic, meteorological factors, and air pollutants). For this analysis, the geographically weighted regression (GWR) model with different kernels (viz. Gaussian and Bisquare kernels) and the ordinary least squares (OLS) model have been carried out to analyze the same from the perspective of the four major seasons (i.e., autumn, winter, summer, and monsoon) in different districts of India. It may be inferred from the results that the local model (i.e., GWR model with Bisquare kernel) captures the spatial heterogeneity in a better way and their performances have been compared in terms of R2 values (>0.99 in all cases) and corrected Akaike information criterion (AICc) (maximum value -618.69 and minimum value -896.88). It has been revealed that there is a strong negative impact between forest coverage and PM pollution in northern India during the major seasons. The same has been found in Delhi, Haryana, and a few districts of Rajasthan during the 1-year cycle (October 2022September 2023). It has also been found that PM concentration levels become high over the specified period with the temperature drop in Delhi, Uttar Pradesh, etc. Moreover, a strong positive association is visible in PM pollution level with the total population. The Author(s), under exclusive licence to Springer Nature Switzerland AG 2024.