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Computational studies into the chemical nature, thermal behaviour, solvent role, reactivity and biological evaluation of Rigidin E A marine alkaloid with potent liver cancer inhibition
The current work includes theoretical studies of Rigidin E (marine alkaloid) molecule with the DFT technique and evaluation of its biological properties in silico. DFT calculations in different media were performed for the title molecule. Gradual changes were noticed in the properties of the title compound when subjected to solvation in polar solvents. Electron density distribution, interaction and excitation were demonstrated using topological studies (ELF, LOL, RDG, and charge transfer) done using Multiwfn software. From FMO analysis, methanol is the solvent in which the title compound has the highest band gap value (3.8972 eV) compared to other solvents, and in the gas phase it has a band gap value of 3.6886 eV. Theoretical UV studies show that n ->?* and n ->?* electronic transitions are significant in Rigidin E. In water, the title molecule has a first-order hyperpolarizability about 100 times that of the reference substance urea, indicating its powerful NLO potential in aqueous medium. ADMET profile was generated using online tools (ADMET lab 2.0, PreADMET, and SwissADME). For the title molecule, docking was done against select liver cancer targets using AutoDock Tools and the lowest binding affinity was obtained ?4.62 kcal/mol against 4H6J protein. 2023 Elsevier B.V. -
In-Vitro Investigation of the ?-Amylase Inhibition Activity of Bare Bis-Benzylidene-Cyclohexanone Synthesized by a Highly Selective Solvent-Free Route
Current work reports the highly selective, solvent-free synthesis of an endorsed bioactive compound, Bis benzylidine cyclohexanone (BBC) through solid acid catalysed cross aldol condensation route and checks its in-vitro bio activity. The catalytic support (Multiwalled carbon nanotube) employed was synthesized through the highly sophisticated catalytic chemical vapor deposition (CVD) method and simple mechanical grinding strategy was adopted to decorate sulfonic acid on the support. The C1s X-ray photoelectron peak of at 290.3 eV confirms the effective interaction of sulfonic acid with MWCNT. The sharp and intense desorption peaks observed at approximately 528.7 C and 655.15 C in the TPD analysis unmistakably substantiate the strong acidity of the synthesized system. The alpha amylase inhibition activity of the synthesized compound was calculated to be around 88.5 %, which is in par with the commercial drug as it could inhibit only 96 %. Further, the in-silico (Docking and Molecular Dynamic Simulation) investigations unveiled a new target site for the compound and this can further be studied in detail to advance the applications in drug design. Detailed scrutiny of various parameters was conducted to validate the bioactivity and pharmaceutical potential of the synthesized compound. 2023 Wiley-VCH GmbH. -
Taste of your Hometown: Evoking Nostalgia through the Diner Space in Midnight Diner
Restaurant spaces are seen as a space that intersects between the personal and the cultural. This paper looks at a Japanese TV series, Midnight Diner, an adaptation of a Manga by Yaro Abe, where a tiny, not-so-popular restaurant in one of the back lanes in Tokyo serves food from midnight to 7 a.m. This show makes several meaningful connections between food, memory, and space as the customers come with specific food cravings, and the Master (the owner-chef of the Diner) is happy to customize. The diner space transcends the traditional meaning of a diner that not only serves food to satiate hunger but is an experience that evokes nostalgia for their home and their loved ones. The wistfulness in the lives of the customers for their home, people, and home-cooked food finds a release in the diner. The space of the diner acquires different meanings, as do the dishes the customer relishes. Thus, the paper explores the diner space as a symbolic space where each episode introduces a new character, a new story, and the past they deal with while the food is prepared and consumed on screen. The taste, smell, texture, and ingredients of the food in this diner stimulate the senses, and this space acquires emotional meaning for everyone stepping in. 2023, University of Malaya. All rights reserved. -
Exploring novice Indian school counsellors' experiences collaborating with teachers and administrators
Previous studies have shown that collaboration between school counsellors and other stakeholders such as teachers and administrators leads to improved outcomes for students and a better school climate. The current qualitative study explored the experiences and perceptions of novice school counsellors in India regarding collaboration with teachers and administrators. The sample included 11 novice school counsellors working in five different cities who were recruited using purposive sampling. The thematic analysis of the data collected via semistructured interviews revealed six main themes: 'Counsellors' perceptions about collaboration', 'Collaboration with teachers', 'Collaboration with administrators', 'Challenges faced during collaboration', 'Strategies helpful in collaboration' and 'Impact of training'. Implications discussed include the need for school counsellors to advocate for their role, the need for training programs to prepare stakeholders for collaboration, and the need for policies to integrate the role of a school counsellor into schools. The Author(s), 2021. Published by Cambridge University Press. -
ITBC Controlled IPWM for Solar Based Wide Range Voltage Conversion System
This paper presents an isolated tiny or micro-bidirectional DCAC converter (ITBC) that operates in a single-phase, single-stage, bidirectional, and isolated configuration. The converter utilises a voltage-in-phase PWM (IPWM) control scheme to regulate the potential conversion ratio of the converter, enabling it to handle a wide voltage range. The converter also enables smooth power flow direction changes and can achieve soft switching, resulting in high efficiency. A unidirectional current controller can be used for both DCAC and ACDC modes. The paper provides detailed information about the micro-inverter's working principles, design procedure, characteristics, and control strategy. The proposed solution is verified by a 500-watt test bench model with a voltage input range of 30 volts to 50 volts. 2024 IETE. -
PHILOSOPHICAL POSTHUMANISM: A RENEWED WORLDVIEW AND A METHODOLOGICAL FRAMEWORK FOR CRITICAL ANALYSIS
Exponential technological advances capture the zeitgeist of contemporary society. Machines are increasingly gaining agency, which helps in the deconstruction of the humanist notion of humans. Society takes a posthuman turn with large-scale humanmachine imbrication and nonhuman agency. The posthuman turn is also reflected in the academic world, which is seriously contemplating the integration of posthumanities. The philosophical posthumanism of Francisca Ferrando is a posthuman theory with three constituent elements: post-humanism, post-anthropocentrism, and post-dualism. Post-humanism revisits the definition of human that has given rise to marginalization within the human species. Post-anthropocentrism critiques the human superiority and exceptionalism that have led to the marginalization of other species. Post-dualism revisits the dualistic mindset that allows hierarchical sociopolitical constructions. Ferrando presents a vision of a posthuman utopian society that recognizes pluralistic voices within the human species on egalitarian terms, accepts and values the agency of nonhuman actors, and sheds the dualistic view of life that keeps humans and nonhumans on either side of the binary system. Philosophical posthumanism can be suitable as a methodological framework to analyze the posthuman discourses in literary works, specifically in science fiction. 2024 The Pennsylvania State University, University Park, PA. -
Developing a steady state wear equation for AA7050 hybrid composites/steel interface at elevated temperature
In this research work, an attempt was made to reinforce AA7050/5Gr composites with multi-walled carbon nanotube (MWCNT) of varying weight percentages processed through stir casting route. SEM with EDS mapping revealed that the particles were uniformly distributed over the composites. Hardness reduces with increasing MWCNT weight percentage owing to the inverse hall petch effect and increment in void content. A third-body abrasion, which happens when the CNT in the aluminium matrix material detaches from the surface and erodes material from the composites pin as well as the counter face, causes the wear resistance to rise with the addition of CNT particles. A mechanically mixed layer, which avoids direct metal-to-metal contact and thus increases wear resistance, was created at the abraded surface and at high temperature, where the reduction of wear rate was due to the development of oxide protective layer. A steady-state wear equation for the contacting surface at high temperature (R = 1/Y ?(ln W/2X)) for AA7050 hybrid compositessteel interface was developed. The enhancement in wear resistance was directly proportional to the proportion of ferrous content present on the surface, which was confirmed on the elemental analysis. Pock marks, micropits, craters and cracks were the features observed on the worn surface morphology, whereas delamination and plasticisation were the observed modes of wear mechanism. 2023 Informa UK Limited, trading as Taylor & Francis Group. -
Monoclinic Y2O3: Ce nanophosphors synthesized by wet chemical precipitation method
UV emitting nanophosphors draws attention from many researchers currently due to the diverse applications ranging from UV LEDs to phototherapy. The current work is an investigation of monoclinic yttrium oxide doped with cerium synthesized by means of wet chemical precipitation at low temperature (90 C). Raman analysis and TEM experiments confirmed the formation of monoclinic phase and XPS analysis proves the presence of Ce3+ energy levels. UV experiments delivered strong absorption in the short UV region and photoluminescence experiments demonstrated the material's capability to emit in the long UV region. Surface area measurements by BET analysis established the relationship between the BET surface area and luminescence intensity. This emission range is suitable for therapeutical application especially for skin diseases which further extends the scope of the work. 2023 Elsevier Ltd and Techna Group S.r.l. -
Highly mixed high-energy d-orbital states enhance oxygen evolution reactions in spinel catalysts
Design, synthesis, and engineering of electrocatalysts for the oxygen evolution reaction (OER) are essential for attaining desirable electrocatalytic performance towards practical implementation. Emerging spinel-type OER catalysts have not reached the desirable activity and durability, thus demanding critical research to advance the field. To achieve enhanced OER performance for spinel-type OER catalysts, we present an efficient strategy of electronic structure modulation of central metal atoms. Modulation of the electronic properties of the Zn and Co atoms through the counter anionic components (O, S, and Se) regulates the adsorption of oxygen intermediates and thus enhances OER activity, which is systematically demonstrated using Density Functional Theory (DFT) calculation. Although the zinc cobalt selenide catalyst showed the less pronounced trigonal distortion, the mixing of eg orbitals with selenium accounts for the experimentally observed enhancement in OER activity. The result is, in contrast to the benchmark catalyst made of RuO2, ZnCo2Se4@rGO demonstrated lower OER overpotential (?10 = 302 mV) and Tafel slope (58 mV dec?1) as well as greater durability at 10 mA cm?2 for 50 h. The implementation of this strategy in several spinel-type catalysts could improve their electrocatalytic performance. 2023 Elsevier B.V. -
Inclusion of Sexual Health Education for the Wellbeing and Dignity of Secondary School Children: An Indian Rural Perspective
The study investigates students perspectives on incorporating sexual health education into the curriculum of secondary schools in rural Bangalore. Focused on assessing how such education impacts students physical and psychological well-being, confidence, and ability to make informed decisions, the research collected data from 981 students across 6th to 10th grades. A structured questionnaire, measured on a five-point Likert scale, explored students perceptions of sexual health education and its outcomes. After a meticulous data cleaning process, which included outlier removal, the study utilized a final sample of 900 students. IBM SPSS 25 and AMOS 25 facilitated the statistical analysis. The findings underscore the significant positive effect of sexual health education on students confidence levels. It highlights how this form of education aids in maintaining personal hygiene and fosters balanced decision-making skills among students. The studys results advocate for the implementation of sexual health education in schools, emphasizing its role in enhancing student wellbeing and confidence. Additionally, it contributes to defining the scope and framework of a sexual health education curriculum from the students perspective in rural Bangalore schools, aligning educational objectives with the actual needs and perceptions of the student body. 2023 Indian Institute of Health Management Research. -
Destination image and perceived meaningfulness for visitor loyalty: A strategic positioning of Indian destinations
The purpose of this study is to empirically test and validate a multi-dimensional structure of In-loco Destination Image and perceived meaningfulness using an integrated model of visitor loyalty. The model was tested using data collected from responses of foreign tourists visiting India (n = 246). The results identified six dimensions of In-loco Destination Image: Amenities, Attractions, Leisure, Culture, Support Systems, and Hospitality. In addition, the investigation observes that of the identified dimensions of perceived meaningfulness, the spiritual and societal dimensions contribute more to perceived meaningfulness than the physical well-being aspect. Further, the exploration estimated the theoretical framework developed using structural equation modelling and established the mediating role of perceived meaningfulness in developing visitor loyalty from In-loco Destination Image. The studys observations helped identify three positioning approaches, namely objective, subjective, and combined, offering suggestions to destination marketers to effectively reposition Indian destinations. 2022 Informa UK Limited, trading as Taylor & Francis Group. -
Masstige scale: An alternative to measure brand equity
Masstige marketing is a strategic word for market penetration for premium but reachable products based on brand equity, trying to develop brand awareness, likability, affection and attachment. Hence, masstige scale may allow firms to measure brand equity to derive insights into the popularity of their brands. However, there is no empirical evidence available to test whether these scales are related measures of brand equity and, at the same time, independent measures, respectively. This study investigates whether the masstige scale and multidimensional consumer-based brand equity scale measure the same constructs. A total of 493 participants evaluated four different athletic shoe brands. The multi-trait, multimethod and confirmatory factor analyses suggested that the masstige scale may be a viable alternative to consumer-based brand equity and masstige value. We discuss the implications and provide directions for future research derived from our findings. 2022 John Wiley & Sons Ltd. -
Smartphone application-based colorimetric fish freshness monitoring using an indicator prepared by rub-coating of red cabbage on paper substrates
This work developed a simple, easy-to-prepare, and inexpensive indicator (R-Paper) based on rub-coating of red cabbage on readily available paper substrates to detect the freshness of fish in out-of-lab settings. A single-step rub-coating method was used to incorporate anthocyanins on paper substrates, without the extraction of the compound from red cabbage. The preparation of the indicator and its usage is quick and does not require additional chemicals, personnel expertise, or laboratory facilities. The functional colorimetric interface created by directly rubbing red cabbage on paper was used for fish quality monitoring, which displayed a naked-eye detectable color change from purple (for fresh fish) to blue (for spoiling fish) and then to blue-green (for spoiled fish), corresponding to total volatile basic nitrogen (TVB-N) and pH changes. To provide a user-friendly quantitative analysis of this color change, we used the free Android software Color Grab to quantify the color using L*, a*, b*, and RGB indices. To the best of our knowledge, this work is the first report on an indicator prepared by rub-coating red cabbage onto paper-based substrates for fish spoilage monitoring through smartphone-based analysis. To verify that the R-Paper indicator performs on a par with the indicators using extracted anthocyanins, its performance was compared with indicators prepared using anthocyanins extracted from red cabbage (AR-Paper). Naked-eye analysis, simple preparation, ease of use, low cost, and free smartphone-based analysis make the R-Paper indicator an appropriate food quality indicator in resource-limited areas. 2023 Elsevier B.V. -
Investigating the Determinants of Financial Well-Being: A SEM Approach
Studies reveal that the financial well-being of employees has a direct bearing on their productivity and overall well-being. The wellness initiatives organized by the information technology (IT) companies operating in India have also started focusing on the contributing aspects of financial well-being. In this context, the article explores the determinants of financial well-being of IT professionals in India. The article utilizes confirmatory factor analysis (CFA) for the analysis. The study employs a survey questionnaire covering financial literacy, financial behavior, and financial fragility. It also attempts to recognize the influence of gender and job roles (technical or managerial) in ascertaining financial well-being. The sample data used in the study include 237 professionals employed in the IT sector. The study uses partial least squared structured equation modelling (PLS-SEM) to understand the connection between the determining factors. The results indicate that financial well-being is positively influenced by financial literacy and financial behavior while financial fragility has a substantial negative impact. The financial literacy and financial fragility are significantly different between technical and managerial roles. Gender appears to have a sizeable impact on the financial behavior and financial fragility levelswomen employees performed better in both the factors. Interestingly, financial literacy levels of the two genders are not significantly different. The results show that there is a need to focus on literacy, behavior, and fragility in financial wellness programs organized by the IT industry. Further, the study recommends offering tailored financial wellness training modules created based on the job levels and gender instead of following one program, fits all standardized approach. 2023 KJ Somaiya Institute of Management. -
Influence of annealing on the morphological, structural and electrochemical properties of Co3O4 spinel electrodes
Effectual use of energy requires the conversion and storage device with great ability. In this research, Co3O4 nanoparticles are achieved via facile and low-cost reflux method. The consequence of annealing treatment on morphological, structural, and electrochemical behaviors of produced Co3O4 (350, 550, 750 and 950 C) nanoparticles are investigated. XRD analysis exposes the formation of cubic Co3O4 spinel above 300 C annealing temperature. SEM and EDX study demonstrate that the morphology of Co3O4 nanoparticles changes with different annealing temperatures. The electrochemical performance of prepared Co3O4 (350950 C) nanoparticles was determined via charge-discharge experiment, and electrochemical impedance, cyclic voltammetry studies. It exposes that the annealing treatments have an important effect on the specific capacitances. Among them, the optimized Co3O4 (950 C) electrode demonstrates the best capacitive behaviors in the three-electrode cell, which exhibitions the best capacitance value of 1388 Fg?1 at 5 mVs?1 and outstanding cycling capability of 97.2 % capacitance even after 5000 cycles. The asymmetric supercapacitor device assembled by Co3O4 (950 C) displays a capacitance value of 519.3 Fg?1 for 5 mVs?1 and long reversible capacity (92.7 % capacitance retains after 5000 cycles) and a high-power density (26.7 W h Kg?1). These outcomes exposed that the Co3O4 (950 C) nanoparticles could be a perfect candidate for eminent electrochemical application as electrode materials. These results state that Co3O4 nanoparticles are a multipurpose material and thus can be applied in numerous applications namely gas sensors, fuel cells, solar cells, electrochemical sensors, and photocatalysis. 2023 Elsevier Ltd -
Facile synthesis of aluminum oxyhydroxide-PVA films and its adsorptive evaluation for the removal of methylene blue dye from water: kinetics, optimization studies and mechanism
Aluminum oxyhydroxide-polyvinyl alcohol films were synthesized by the solgel method with varying metal-polymer ratios. The results of the characterization confirmed the formation of aluminum oxyhydroxideand the incorporation of metal into the polymer. The adsorption isotherms of the film exhibited type IV isotherms indicating the mesoporous nature with a non-uniform pore size distribution. The optical profilometric studies confirmed the surface roughness of the film. The adsorptive nature of the film was tested for the removal of methylene blue dye from the aqueous solution. Optimization studies were conducted to investigate the effect of various parameters on the adsorption process. The adsorption isotherms of methylene blue fit with the Langmuir isotherm model and follow a pseudo-second-order equation. A suitable reaction mechanism was proposed, which confirms the adsorptive nature of the film is due to the electrostatic attraction. The synergetic effect of the metal-polymer blend, surface roughness and pore size of the film, which ranges from 0.01 to 0.025nm,enhances the adsorption of methylene blue. The comparison of results obtained in the current study with earlier reports confirms that the aluminum oxyhydroxide-polyvinyl alcohol films can be considered an eco-friendly, cost-effective adsorbent for removing methylene blue. 2023, The Polymer Society, Taipei. -
Furaldehyde-based magnetic supported palladium nanoparticles as an efficient heterogeneous catalyst for Mizoroki-Heck cross-coupling reaction
A novel palladium functionalised magnetic nanocatalyst (Fe3O4@SiO2-FA-Pd) was prepared using silica-coated iron oxide and furaldehyde Schiff base as a supported material. FT-IR, VSM, TEM, FESEM, XPS, EDAX and TGA were used to analyse the morphological structure and chemical composition of Fe3O4@SiO2-FA-Pd NPs. Thus, the prepared Fe3O4@SiO2-FA-Pd NPs as a magnetic nanocatalyst were used in the Mizoroki-Heck reaction of arylbromide and terminal alkenes, exhibiting effective catalysis with good yields. The magnetic nanocatalyst can be reused up to 6 times without significantly losing catalytic activity and is easily separable from the reaction mixture. This new catalytic system has significant and potentially useful applications in the pharmaceutical industry. 2024 The Royal Society of Chemistry. -
Solution of boundary eigenvalue problems and IBVP involving a system of PDEs using the successive linearization method
The paper illustrates a numerical technique to solve a system of three partial differential equationsthat govern the problem of Rayleigh-Bard-Brinkman convection in a two-dimensional porous rectangular box. As a result of linear and weakly nonlinear stability analyses of the system a boundary eigenvalue problem (BEVP) and an initial boundary value problem (IBVP) arise. Spatial information on the periodicity of the convection cells is first used in the system of PDEs to make it possible for the successive linearization method (SLM) to be applied. The resulting much-simplified versions of BEVP and the IVP are then solved by direct and time multi-stepping versions of SLM, respectively. The SLM solution of the BEVP is compared with that obtained through MATLAB routine bvp4c and the multi-stepping-SLM solution of the IVP is validated with that of the Runge-Kutta-Fehlberg (RKF45) method (using MATLAB routine ode45). The present numerical technique is found to have quadratic convergence for any desiredaccuracy. 2023 Wiley-VCH GmbH. -
Lithium photodisintegration with linearly polarized photons at astrophysical energies
We present here a model-independent theoretical discussion of differential cross-sections in photodisintegration of lithium with unpolarized and linearly polarized photons. In recent years, experimental measurements are being carried out on the photodisintegration of lithium in the reaction channel 7Li(?, n)6Li to study the angular dependence of cross-section. In this regard, we have studied the spin structure of amplitudes in 7Li(?, n)6Li by expressing the differential cross-section in terms of Legendre polynomials. 2023 Oxford University Press. All rights reserved. -
An adept approach to ascertain and elude probable social bots attacks on twitter and twitch employing machine learning approach
There has been a tremendous increase in the popularity of social media such as blogs, Instagram, twitter, online websites etc. The increasing utilization of these platforms have enabled the users to share information on a regular basis and also publicize social events. Nevertheless, most of the multimedia events are filled with social bots which raise concerns on the authenticity of the information shared in these events. With the increasing advancements of social bots, the complexity of detecting and fact-checking is also increasing. This is mainly due to the similarity between authorized users and social bots. Several researchers have introduced different models for detecting social bots and fact checking. However, these models suffer from various challenges. In most of the cases, these bots become indistinguishable from existing users and it is challenging to extract relevant attributes of the bots. In addition, it is also challenging to collect large scale data and label them for training the bot detection models. The performance of existing traditional classifiers used for bot detection processes is not satisfactory. This paper presents: A machine learning based adaptive fuzzy neuro model integrated with a hist gradient boosting (HGB) classifier for identifying the persisting pattern of social bots for fake news detection. And Harris Hawk optimization with Bi-LSTM for social bot prediction. Results validate the efficacy of the HGB classifier which achieves a phenomenal accuracy of 95.64 % for twitter bot and 98.98 % for twitch bot dataset. 2023