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QSPR Analysis On Octane Isomers Using Degree-Based Topological Indices?
Octane isomers are structures with the chemical formula C8H18. Despite having the same formula, they have variations in the way their atoms are arranged, leading to differences in their chemical and physical properties. In this paper, we conduct a QSPR analysis on various isomers of octane, focusing on specific degree-based topological indices. In QSPR studies, these measures, known as topological indices, are helpful in understanding and quantifying the biological effects of chemical compounds. We specifically look at how certain properties of octane, such as complexity, acentric factor, standard enthalpy of vaporization, entropy, and enthalpy of vaporization, are connected to these topological indices. Our research provides valuable insights into how these indices can predict the behavior of octane isomers, contributing to a better overall understanding of their properties. 2024, Tsing Hua University. All rights reserved. -
QSPR Analysis of Polycyclic Aromatic Hydrocarbons
Topological indices serve as a crucial component in chemical graph theory linked with some molecular structure. The First and Second Zagreb Indices are one among the earliest and extensively explored molecular descriptors. The study on equitable zagreb indices have been initiated earlier by Akram Alqesmah, Anwar Alwardi and R. Rangarajan based on the equitable degree of the vertices. In this paper, we introduce the first and second equitable and non-equitable zagreb polynomials and compute the exact values of the respective equitable and non-equitable zagreb indices for polycyclic aromatic hydrocarbons. We have also utilised certain formulations for the determination of the corresponding relative equitable and non-equitable zagreb indices of the chemical graph. Further, QSPR analysis is carried out for the topological indices with regard to the physico-chemical properties of the polycyclic hydrocarbon molecules. 2022, Books and Journals Private Ltd.. All rights reserved. -
QSPR analysis of certain degree and eccentricity based topological indices and butane derivatives
Butane derivatives are chemical compounds formally derived from Butane C4H10 by replacement of one or more hydrogen atoms with other atoms or functional groups. In this paper, we do the QSPR analysis of few Butane derivatives with respect to some selected degree based topological indices and one eccentricity based topological index. In QSPR studies, topological indices are extensively used in determining specific bioactivity of chemical compounds. Our study showcases some important results on the correlation between Heavy atomic count, Complexity, Density, Surface tension and Index of refraction of Butane derivatives with the selected topological indices which further helps in characterizing the predicting power of these topological indices. RAS?YAN. All rights reserved. -
QSPR ANALYSIS OF CERTAIN ANTI-HIV DRUGS
A broad spectrum of advanced medications appears yearly following the accelerated evolution of the chemical and pharmaceutical industry. In this paper, various degree-based and neighborhood degree sum-based topological indices of some anti-HIV drugs are explored applying the M-polynomial and NM-polynomial formulations. Moreover, QSPR analysis is carried out for the topological indices with regard to the physico-chemical properties of the anti-HIV drugs. The activity of nucleoside and non-nucleoside reverse transcriptase inhibitors is implemented as in drug configuration to manifest the significance of topological indices in the medicinal world. The procured outcomes affirm that topological indices being stud- ied reflect effective correlation in accordance to physical and chemical properties of the anti-HIV drugs and consequently can assist in development of advanced and promising pharmaceutical for HIV medication. 2022, RAMANUJAN SOCIETY OF MATHEMATICS AND MATHEMATICAL SCIENCES. All rights reserved. -
QSAR Approach for Drug Discovery Targeting the Glucagon Receptor Using Machine Learning
Metabolic disorders like type 2 diabetes are increasing day by day so the study focusing drug discovery of glucagon receptor has become important.One of the method to study the binding strength between chemical compounds is Quantitative Structure-Activity Relationship (QSAR) which is discussed in this paper.We gathered a curated dataset of glucagon receptor ligands from the ChEMBL bio activity dataset and studied the physical and chemical properties of the molecules using factors like molecular weight and logarithm of the partition coefficient.Then Random forest regression model was applied for prediction of the binding strength of ligands. The efficiency information of ligand was extracted which contributed to study of the molecular features concerning the activity of glucagon receptor in a much easier manner. These findings highlight the potential of QSAR in elucidating the key determinants of ligated-receptor interactions and guiding the rational design of novel glucagon receptor modulators. The integration of computational approaches with experimental validation holds promise for accelerating the development of effective therapies for metabolic disorders, addressing unmet clinical needs in this field. 2023 IEEE. -
Python's role in predicting type 2 diabetes using insulin DNA sequence
This chapter examines how Python can assist in predicting type 2 diabetes using insulin DNA sequences, given the substantial problem that biologists face in objectively evaluating diverse biological characteristics of DNA sequences. The chapter highlights Python's various libraries, such as NumPy, Pandas, and Scikit- learn, for data handling, analysis, and machine learning, as well as visualization tools, such as Matplotlib and Seaborn, to help researchers understand the relationship between different DNA sequences and type 2 diabetes. Additionally, Python's ease of integration with other bioinformatics tools, like BLAST, EMBOSS, and ClustalW, can help identify DNA markers that could aid in predicting type 2 diabetes. In addition, the initiative tries to identify unique gene variants of insulin protein that contribute to diabetes prognosis and investigates the risk factors connected with the discovered gene variants. In conclusion, Python's versatility and functionality make it a valuable tool for researchers studying insulin DNA sequences and type 2 diabetes prediction. 2023, IGI Global. All rights reserved. -
Python programming for geospatial applications: Web mapping, interactive visualization, and beyond
Geospatial solutions represent a pivotal toolset for analyzing, interpreting, and visualizing spatial data across diverse domains, facilitating informed decision-making and fostering innovation. This book chapter provides a comprehensive overview of geospatial solutions, emphasizing their critical role in addressing spatially explicit challenges and driving efficiency, productivity, and innovation across various sectors. Furthermore, it explores the integration of Python programming in geospatial applications, highlighting its versatility and extensive ecosystem of libraries and tools tailored for spatial data analysis and visualization. The fundamentals of web mapping are discussed in depth, elucidating spatial representation, technologies, and tools commonly employed in web mapping applications. Also, the chapter explores Python's role in retrieving geospatial data with Python, visualization methods, and interactive web mapping. 2024, IGI Global. -
Python Driven Keyword Analysis for SEO Optimization
Every word or string of words a user types into a search engine has meaning. For example, a user might search for a 'hotel' or a 'hotel in New York City.' Keywords are the standard focus of search engine optimization (SEO), which offers a useful method of gauging demand for specific queries and aiding in a better understanding of how users look for goods, services, businesses, and, eventually, solutions. Any effective SEO strategy must include keyword research, and Python is a strong language that can be used to automate and accelerate the process. This project presents a Python-based keyword research tool that works on real-time data to identify the top searches over a user-specified domain to identify trends and customer needs. It does this by utilizing multiple Python libraries and Google Autocomplete. The Google Autocomplete results for the user-specified domain are first parsed by the tool before it can function. After that, unnecessary keywords are eliminated by filtering and cleaning the results. Subsequently, the remaining keywords are arranged for search volume and domain relevancy. The tool looks for trends by comparing the current keyword rankings with previous data. Thanks to this, users can see which keywords are growing in popularity. By identifying the most commonly asked questions and issues, the tool also offers insights into the needs of its users. The tool is simple and adaptable to each user's unique requirements. It can be used to create keyword lists for content marketing, SEO, and product development, among other uses. 2024 IEEE. -
Pyrazole Derivative Containing Naphthalene Moiety: Cytotoxocity (Breast and Cervical Cancer), Antibacterial and Antifungal Studies Using Experimental and Theoretical Tools
In the present study, the title compound is named 4-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)(6-methoxynaphthalen-1-yl)methyl)-5-methyl-2-phenyl-1,2-dihydropyrazol-3-one was synthesized, and its antibacterial, antifungal, cytotoxic activity was studied by both experimental and in silico methods. The molecular structure was optimized using DFT/B3LYP method with cc-pVDZ as a besis set, and frontier molecular orbital (FMO) studies was used to explain the physiochemical properties of that molecule by the energy of interacting orbitals. NBO describes the intra delocalization of electrons in the molecule, which support the stability of that molecule. Noncovalent interaction (NCI) explains the nonbond interactions present in the molecule. Drug-likeness property of 405 C have been checked by absorption, distribution, metabolism and excretion (ADME) assay, result shown all the drug-likeness properties in red color region, so we have confirmed this molecule as a drug. 405 C undergoes antibiotic activity against P. aeruginosa organism, antifungal activity against B. cinerea and cytotoxicity activity against MCF-7 and HeLa cell when compared to standard drugs. 2022 Taylor & Francis Group, LLC. -
Purpose-driven leadership and organizational success: a case of higher educational institutions
Purpose: This paper aims to examine the relationships between organizational purpose, leadership practices and sustainable outcomes for universities in emerging economies. We propose that a strong sense of purpose is a fundamental and defining feature in the leadership practices of these institutions, which ultimately contributes to their success. Design/methodology/approach: The authors present a research model that defines the relationships between a sense of purpose, leadership practices, student success outcomes, alumni involvement outcomes and societal reputation outcomes. Over 200 higher education administrators in India participated in the study. Findings: The institutions' sense of purpose directly relates to their leadership engagement practices and their student success outcomes. Student success outcomes are a crucial linkage between leadership engagement practices and alumni involvement outcomes to achieve their societal reputation. Practical implications: As competitiveness intensifies, educational institutions under resource constraints must differentiate their organizational practices. This paper demonstrates how their core purpose and leadership actions result in achieving effective outcomes and overall sustainable societal reputation. Originality/value: There is a significant difference between having an organizational purpose and enacting that purpose through their leadership practices. These results highlight the cascading effect from the institution's fundamental sense of purpose to their leadership practices and the positive outcomes of student success, alumni involvement and societal reputation. 2021, Emerald Publishing Limited. -
Purple Blue emission in MoO3:Ce3+ nanorods: Investigation on the structural and photoluminescence properties
MoO3:Ce3+ nanophosphors were synthesized with different doping concentrations of cerium by hydrothermal method. Structural, optical, and photoluminescence properties were explored. Raman spectroscopy and X-ray diffraction studies were carried out to examine the crystal structure, vibrational modes and symmetry. XRD and Raman spectroscopy assures the orthorhombic phase of MoO3 for the pure and doped samples. Nanorod like morphology was obtained for pure and doped samples. XPS analysis confirms the presence of Ce3+. While analyzing UVVis absorption spectra, the change in optical bandgap was observed with doping concentration in agreement with size effect. The refractive index of the prepared nanorods was evaluated. For MoO3:Ce3+nanorods excited at 250 nm, purple-blue emission comprising of transitions between 2D ? 2F7/2 along with 2D ? 2F5/2 levels of Ce3+ in MoO3 lattice were obtained. The concentration quenching mechanism was observed in MoO3:Ce3+ nanophosphors. Purple-blue emission from different samples were quantified using CIE chromaticity diagram. This work marks MoO3:Ce3+ nanorods as a suitable candidate for display and fluorescence imaging application. 2023 Elsevier Masson SAS -
Purification and evaluating in vitro activity of a fibrinolytic protease produced by a mangrove isolate Bacillus subtilis AIBL_AMSB2_M7E32
One of the main causes of heart-related problems globally is intravascular thrombosis. Microbial fibrinolytic proteases play a very crucial role in the management of thrombosis. Plasminogen activators and plasmin-like proteins, which are fibrinolytic enzymes of microbial origin, hydrolyze thrombin with great efficacy and without causing noticeable side effects. These fibrinolytic enzymes can also be manufactured efficiently and economically in huge quantities within a short period. However, the search for novel fibrinolytic enzymes demands difficult purification procedures, as well as physicochemical and structural-functional properties that provide information about their mode of action. In this study, the strain named Bacillus subtilis AIBL_AMSB2_M7E32, isolated from the Coringa mangrove soils, was shown to produce a fibrinolytic enzyme. The enzyme was purified by a four-step purification process that resulted in a 43.33-fold purification with a specific activity of 6368.20 (U/mg). Sodium dodecyl sulfate-polyacrylamide gel electrophoresis showed that the purified enzyme was a protein of about 28 kDa and showed fibrinolytic activity on a zymogram. In vitro assay on blood clots revealed that the purified enzyme could lyse the blood effectively by a percentage of 72.96 0.16a%, indicating that the enzyme could be used as a fibrinolytic agent. Furthermore, an observation for enzyme stability and its in vivo activity studies would be necessary for its application in the market. 2024 Bhavana Sompalli and Alok Malaviya. -
Purification and Biochemical Characterization of Beta-Hexosaminidase B from Freshwater CnidarianHydra vulgaris Ind-Pune
Beta-N-acetylhexosaminidase (Hex) is a vital lysosomal hydrolase found in all living organisms, playing a crucial role in cellular homeostasis. Dysfunctions in this enzyme are implicated in severe pathological conditions such as Tay-Sachs and Sandhoff diseases in humans. In this paper, we report the purification and biochemical characterization of hexosaminidase from the soluble extracts obtained from the polyps of Hydra vulgaris Ind Pune. The Hydra Hex was purified by two-step sequential chromatography (hydrophobic interaction and gel filtration). Our results suggested that the enzyme isoform purified from Hydra is HexB, most likely to be a homodimer with a subunit mass of 65 kD. The pH optimum was in the range of 5.0 to 6.0 and the temperature optimum in the range of 50 C to 60 C. pH stability and temperature stability were found to be 5.0 and 40C respectively. The homology modelling studies corroborated the homodimeric nature of Hydra HexB, and indicated its structural resemblance to human HexB. This study offers new insights into the biochemical characteristics of Hydra HexB, providing a foundational framework for extensive investigations on this and other lysosomal hydrolases in Hydra. In a broader context, our results significantly contribute to establishing Hydra as a potential model organism to study the lysosomal biogenesis pathway. (2024), (Association of Carbohydrate Chemists and Technologists). All Rights Reserved. -
Pure red luminescence and concentration-dependent tunable emission color from europium-doped zinc sulfide nanoparticles
Nano-sized Eu3+-doped ZnS particles were prepared by chemical precipitation method using polyethylene glycol as capping agent. The structural and morphological studies of ZnS:Eu3+ nanoparticles were carried out using X-ray diffraction (XRD), transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FTIR), and scanning electron microscopy (SEM). XRD results show that ZnS:Eu3+ nanoparticles have a cubic structure for all Eu3+ concentrations. Dependence of doping concentration on the photoluminescence (PL) of ZnS:Eu3+ nanophosphor was studied for excitations at 395nm and 465nm. At 395-nm excitation, emission colors of ZnS:Eu3+ nanophosphor lie in blue, green, yellow, and red regions of chromaticity diagram for different doping concentrations. But for all doping concentrations we got red emission when the excitation wavelength was 465nm and the color purity was 92% for 0.03M doped sample. 2022, The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature. -
Pure and suggestive impulse buying in mobile shopping app: shopping pattern of young consumers
Purpose: This study differentiates pure impulse buying behaviour from suggestive impulse buying behaviour in using mobile shopping applications (apps). This study aims to assess the moderating effects of instant discount and cashback promotional offers along with the mediating effects of impulse buying intention (IBI) and user satisfaction (US), using the app stimuli (performance expectancy, effort expectancy, layout, atmosphere, privacy and security). Design/methodology/approach: The study was done in three stages: analysis of variance, followed by structural equation modelling (SEM) and paired t-tests. Findings: The results showed that instant discounts and cashback offers are different from each other for the mediating variable IBI. The SEM results for pure impulse buying showed that, except for layout, the remaining variables have a positive relationship with IBI. For suggestive impulse buying, effort expectancy and layout were significantly related to both the mediating variables. Finally, pure and suggestive impulse buying behaviour showed significant differences. Originality/value: Previous studies have looked into impulse buying in its generic sense and not through the types of impulse buying they were measuring. As impulse buying behaviour is a predominant theme for discussion today, marketing professionals and researchers must comprehend the impact of app stimuli in the context of select types of impulse buying behaviour. 2024, Emerald Publishing Limited. -
Purchase intention of deconstructed end-of-lifecycle Fashion products in an outline and offline retail environment
Obsolete or slow-moving inventory is one of the major influencers for the bottom line of any business today. Surplus stock- be it from overbuys, returns, defects or simply merchandise hitting the end of their lifecycle- need to be accounted, accommodated and dealt with in a manner that can least affect the planned margins. For the fashion business, such merchandise poses greater challenges. The business is ground by seasonal preferences, fast-changing trends, short lead-times and shorter shelf-lives. With rising costs of traditional retail businesses, the associated costs of carrying such inventory are something that the retailer can easily do without. At the retailers’ end, such merchandise is often subjected to traditional liquidation methods such as Markdowns, carry forwards, or selling at lowered prices to discount stores or factory outlets. From a manufacturer’s perspective, overruns from production are either sold at discounted costs to the retailer or are diverted to other sources of sales. In either case, such decisions do affect the margins of the business, and retailers often account for these “necessary evils” while planning their pricing strategy. -
Purchase intention of deconstructed end-of-lifecycle fashion products in an online and offline retail environment
Obsolete or slow-moving inventory is one of the major influencers for the bottom line of any business today. Surplus stock- be it from overbuys, returns, defects or simply merchandise hitting the end of their lifecycle- need to be accounted, accommodated and dealt with in a manner that can least affect the planned margins. For the fashion newlinebusiness, such merchandise poses greater challenges. The business is ground by seasonal preferences, fast-changing trends, short lead-times and shorter shelf-lives. With rising costs of traditional retail businesses, the associated costs of carrying such inventory are something that the newlineretailer can easily do without. At the retailers end, such merchandise is newlineoften subjected to traditional liquidation methods such as Markdowns, carry forwards, or selling at lowered prices to discount stores or factory outlets. From a manufacturer s perspective, overruns from production newlineare either sold at discounted costs to the retailer or are diverted to other sources of sales. In either case, such decisions do affect the margins of the business, and retailers often account for these necessary evils while planning their pricing strategy. Liquidation methods for such obsolete merchandise also need to meet the additional challenge of maintaining the perceived value of the products, and to not adversely newlineaffect planned margins due to lowered price points. This study seeks to explore fashion consumers acceptance of Deconstructed or up-cycled fashion for such obsolete or EOLC (End-of-lifecycle) merchandise that newlineremain unsold. It also maps the Perceived value of such merchandise and explores the other factors that may affect the Purchase Intention of the merchandise, like the Internal reference price, Perceived monetary newlinesacrifice and Perceived quality. Through an experimental study, a comparative analysis is built across consumers in an E-commerce vs newlineOffline store purchase scenario, to derive if the method of presentation of such products affects the Purchase intention. -
PUNCHING UP IN STAND-UP COMEDY: Speaking Truth to Power
Punching Up in Stand-Up Comedy explores the new forms, voices and venues of stand-up comedy in different parts of the world and its potential role as a counterhegemonic tool for satire, commentary and expression of identity especially for the disempowered or marginalised. The title brings together essays and perspectives on stand-up and satire from different cultural and political contexts across the world which raise pertinent issues regarding its role in contemporary times, especially with the increased presence of OTT platforms and internet penetration that allows for easy access to this art form. It examines the theoretical understanding of the different aspects of the humour, aesthetics and politics of stand-up comedy, as well as the exploration of race, gender, politics and conflicts, urban culture and LGBTQ+ identities in countries such as Indonesia, Finland, France, Iran, Italy, Morocco, India and the USA. It also asks the question whether, along with contesting and destabilising existing discursive frameworks and identities, a stand-up comic can open up a space for envisaging a new social, cultural and political order? This book will appeal to people interested in performance studies, media, popular culture, digital culture, sociology, digital sociology and anthropology, and English literature. Chapter 9 of this book is freely available as a downloadable Open Access PDF at https://www.taylorfrancis.com under a Creative Commons (CC-BY) 4.0 license. Funded by the University of Helsinki. 2023 selection and editorial matter, Rashi Bhargava and Richa Chilana; individual chapters, the contributors. -
Punching above the weight? Role of Sri Lanka in BIMSTEC
[No abstract available]