Browse Items (9795 total)
Sort by:
-
Socioeconomic determinants of COVID-19 in Asian countries: An empirical analysis
The spread of coronavirus disease, 2019, has affected several countries in the world including Asian countries. The occurrences of COVID infections are uneven across countries and the same is determined by socioeconomic situations prevailing in the countries besides the preparedness and management. The paper is an attempt to empirically examine the socioeconomic determinants of the occurrence of COVID in Asian countries considering the data as of June 18, 2020, for 42 Asian countries. A multiple regression analysis in a cross-sectional framework is specified and ordinary least square (OLS) technique with heteroscedasticity corrected robust standard error is employed to obtain regression coefficients. Explanatory variables that are highly collinear have been dropped from the analysis. The findings of the study show a positive significant association of per capita gross national income and net migration with the incidence of total COVID-19 cases and daily new cases. The size of net migration emerged to be a potential factor and positive in determining the total and new cases of COVID. Social capital as measured by voters' turnout ratio (VTR) in order to indicate the people's participation is found to be significant and negative for daily new cases per million population. People's participation has played a very important role in checking the incidence of COVID cases and its spread. In alternate models, countries having high incidence of poverty are also having higher cases of COVID. Though the countries having higher percentage of aged populations are more prone to be affected by the spread of virus, but the sign of the coefficient of this variable for Asian country is not in the expected line. Previous year health expenditure and diabetic prevalence rate are not significant in the analysis. Therefore, people-centric plan and making people more participatory and responsive in adhering to the social distancing norms in public and workplace and adopting preventive measures need to be focused on COVID management strategies. The countries having larger net migration and poverty ratio need to evolve comprehensive and inclusive strategies for testing, tracing, and massive awareness for sanitary practices, social distancing, and following government regulation for management of COVID-19, besides appropriate food security measures and free provision of sanitary kits for vulnerable section. 2020 John Wiley & Sons Ltd -
Radiative heat transfer of nanomaterial on a convectively heated circular tube with activation energy and nanoparticle aggregation kinematic effects
The improvement of the thermal conductivity of the nanoliquid due to the inclusion of a certain amount of nanoparticles is well known. However, the cause of the observed abnormal improvement remains unclear. For this reason, the aggregation kinematics of nanoparticles is significant for evaluating the appropriate thermal effect of particles at the nanoscale. The scope of nanomaterials can be seen in various engineering and industrial fields such as nuclear reactor coolants, heat exchangers, aircraft coolants, microreactor coolants, automobile radiators, solar collectors, etc. Therefore, this study investigates the effects of the aggregation of nanoparticles on radiative nanoliquid flow with activation energy over a horizontal tube subjected to the convective thermal boundary conditions. Experimentally verified correlations of multiwall carbon nanotube aggregation are utilized. The response surface methodology (RSM) is used to determine the optimum levels of the physical parameters to maximize the mass transfer rate of the nanoliquid. The magnitude of the volume fraction and velocity are superior in the absence of aggregation kinematics than in the presence of nanoparticles aggregation mechanism. From the RSM analysis, the maximum Sherwood number obtained is 1.1384 with desirability d = 0.9993. The present results may have applications in nanoliquid-dependent structures, heating/cooling processes, and thermal systems. 2021 Elsevier Ltd -
Jet-driven AGN feedback on molecular gas and low star-formation efficiency in a massive local spiral galaxy with a bright X-ray halo
It has long been suspected that powerful radio sources may lower the efficiency with which stars form from the molecular gas in their host galaxy, however so far, alternative mechanisms, in particular related to the stellar mass distribution in the massive bulges of their host galaxies, have not been ruled out. We present new, arcsecond-resolution Atacama Large Millimeter Array (ALMA) CO(1-0) interferometry, which probes the spatially resolved, cold molecular gas in the nearby (z=0.08), massive (Mstellar= 4 1011 M?), isolated, late-type spiral galaxy 2MASSX J23453269-044925, which is outstanding for having two pairs of powerful, giant radio jets, and a bright X-ray halo of hot circumgalactic gas. The molecular gas is in a massive (Mgas=2.0 1010 M?), 24 kpc wide, rapidly rotating ring, which is associated with the inner stellar disk. Broad (FWHM=70-180 km s-1) emission lines with complex profiles associated with the radio source are seen over large regions in the ring, indicating gas velocities that are high enough to keep the otherwise marginally Toomre-stable gas from fragmenting into gravitationally bound, star-forming clouds. About 1-2% of the jet kinetic energy is required to power these motions. Resolved star-formation rate surface densities derived from Galaxy Evolution Explorer and Wide-Field Infrared Survey Explorer fall by factors of 30-70 short of expectations from the standard Kennicutt-Schmidt law of star-forming galaxies, and near gas-rich early-type galaxies with signatures of star formation that are lowered by jet feedback. We argue that radio Active Galactic Nucleus (AGN) feedback is the only plausible mechanism to explain the low star-formation rates in this galaxy. Previous authors have already noted that the X-ray halo of J2345-0449 implies a baryon fraction that is close to the cosmic average, which is very high for a galaxy. We contrast this finding with other, equally massive, and equally baryon-rich spiral galaxies without prominent radio sources. Most of the baryons in these galaxies are in stars, not in the halos. We also discuss the implications of our results for our general understanding of AGN feedback in massive galaxies. N. P. H. Nesvadba et al. 2021. -
Nurses' perception about Human Resource Management system and prosocial organisational behaviour: Mediating role of job efficacy
Aims: To examine the relationship between nurses' perception about human resource management system and prosocial organisational behaviour through job efficacy. Background: Literature suggests that non-profit organisations are often confronted with financial constraints on one side and the expectation of delivering high-quality services on the other. Employees voluntarily engaging in service-oriented behaviours help to bridge this gap to some extent, and human resource management system plays a significant role in eliciting the requisite behaviours. In this article, the case of nurses from non-profit hospitals has been undertaken to examine the aspects of human resource management system that needs focus while promoting prosocial organisational behaviours among the nurses for ensuring better service delivery. Method: Cross-sectional design was employed. Data were collected from 387 nurses working in non-profit hospitals in India through questionnaires and were analysed with the help of structural equation modelling. Findings: In the absence of sophisticated human resource system in non-profit hospitals, the study found that nurses' perception about human resource management system is positively related to prosocial organisational behaviours, and job efficacy partially mediates the relationship. Conclusion: Positive perceptions such as involvement with the job and communication as well as supervisors' support are essential human resource practices for fostering self-efficacy and, thus, improving prosocial organisational behaviour of nurses working in non-profit hospitals. Implication for Nursing Management: Non-profit hospitals should focus on nurses' participation and supervisory support, which would provide a better human touch approach to patient care and also improve service quality. The findings shed light on the nursing management of non-profit hospitals in terms of human resource management that has to be given much attention for institutionalizing prosocial organisational behaviour. 2021 John Wiley & Sons Ltd -
Hyperspectral multi-level image thresholding using qutrit genetic algorithm
Hyperspectral images contain rich spectral information about the captured area. Exploiting the vast and redundant information, makes segmentation a difficult task. In this paper, a Qutrit Genetic Algorithm is proposed which exploits qutrit based chromosomes for optimization. Ternary quantum logic based selection and crossover operators are introduced in this paper. A new qutrit based mutation operator is also introduced to bring diversity in the off-springs. In the preprocessing stage two methods, called Interactive Information method and Band Selection Convolutional Neural Network are used for band selection. The modified Otsu Criterion and Masi entropy are employed as the fitness functions to obtain optimum thresholds. A quantum based disaster operation is applied to prevent the quantum population from getting stuck in local optima. The proposed algorithm is applied on the Salinas Dataset, the Pavia Centre Dataset and the Indian Pines dataset for experimental purpose. It is compared with classical Genetic Algorithm, Particle Swarm Optimization, Ant Colony Optimization, Gray Wolf Optimizer, Harris Hawk Optimization, Qubit Genetic Algorithm and Qubit Particle Swarm Optimization to establish its effectiveness. The peak signal-to-noise ratio and Sensen-Dice Similarity Index are applied to the thresholded images to determine the segmentation accuracy. The segmented images obtained from the proposed method are also compared with those obtained by two supervised methods, viz., U-Net and Hybrid Spectral Convolutional Neural Network. In addition to this, a statistical superiority test, called the one-way ANOVA test, is also conducted to judge the efficacy of the proposed algorithm. Finally, the proposed algorithm is also tested on various real life images to establish its diversity and efficiency. 2021 Elsevier Ltd -
Clustering of low-mass stars around Herbig Be star IL Cep - Evidence of 'Rocket Effect' using Gaia EDR3 ?
We study the formation and the kinematic evolution of the early-type Herbig Be star IL Cep and its environment. The young star is a member of the Cep OB3 association, at a distance of 798 9 pc, and has a 'cavity' associated with it. We found that the B0V star HD 216658, which is astrometrically associated with IL Cep, is at the centre of the cavity. From the evaluation of various pressure components created by HD 216658, it is established that the star is capable of creating the cavity. We identified 79 co-moving stars of IL Cep at 2-pc radius from the analysis of Gaia EDR3 astrometry. The transverse velocity analysis of the co-moving stars shows that they belong to two different populations associated with IL Cep and HD 216658, respectively. Further analysis confirms that all the stars in the IL Cep population are mostly coeval (?0.1 Myr). Infrared photometry revealed that there are 26 Class II objects among the co-moving stars. The stars without circumstellar disc (Class III) are 65 per cent of all the co-moving stars. There are nine intense H ? emission candidates identified among the co-moving stars using IPHAS H ? narrow-band photometry. The dendrogram analysis on the Hydrogen column density map identified 11 molecular clump structures on the expanding cavity around IL Cep, making it an active star-forming region. The formation of the IL Cep stellar group due to the 'rocket effect' by HD 216658 is discussed. 2021 The Author(s) Published by Oxford University Press on behalf of Royal Astronomical Society. -
A simple software for swift computation of photon and charged particle interaction parameters: PAGEX
PAGEX is a compact and user-friendly cross-platform software developed for swift computation of photon (X-ray and ?-ray) and charged particle interaction parameters for various applications. It is designed based on well-established theoretical formulations and computational techniques integrating various Python packages to effectively calculate parameters such as partial/total photon interaction cross-sections and mass attenuation coefficients, charged particle mass stopping powers and cross-sections, effective atomic number and electron density, mass-energy absorption coefficient, KERMA and build-up factors over a wide energy range. This tool is capable of generating both tabular and graphical outputs which can be saved in any user desired format. PAGEX has been verified against other widely employed software and databases, demonstrating good agreement. This software which facilitates robust computation is freely available from the authors. 2021 Elsevier Ltd -
Understanding the role of acid sites of Zinc Aluminophosphate catalysts in eco-friendly synthesis of carbamates
Aluminophosphate and metal incorporated aluminophosphates have been synthesized at ice-cold temperature by simple co-precipitation method in the absence of a templating agent. Surface and bulk properties of synthesized materials were studied by different characterization techniques. The materials were found to be X-ray amorphous. N2 adsorption-desorption studies exhibited the existence of microporous structure and uniform narrow slit type of pores on the materials. The catalytic activity of the synthesized material was tested in phosgene free synthesis of carbamates from corresponding amines and dimethyl carbonate (DMC) through a greener route. Metal incorporated Aluminophosphates indicated excellent catalytic activity compared to pure aluminophosphates. Zinc aluminophosphate catalyst exhibited 83% carbamate yield with 100% selectivity towards the formation of carbamate. The excellent catalytic activity of Zinc aluminophosphate with 94% amine conversion is attributed to its surface properties mainly moderate acid strength. The incorporated metal plays a vital role in the structural and textural properties of aluminophosphates. A systematic study was conducted to correlate the catalytic activity and surface properties of metal aluminophosphates. Reaction conditions were optimized to obtain a better yield through phosgene free eco-friendly routes using different amines. The catalyst was found to be recyclable for 5 cycles in the desired reaction without a reduction in conversion and selectivity. 2021. All Rights Reserved. -
A review on metal nanoparticles from medicinal plants: Synthesis, characterization and applications
Plant extracts contain secondary metabolites which have the potential to act as reducing and stabilizing agents contributing to a greener and more efficient method to synthesize nanoparticles. Rapid growth of Nanotechnology has led to an increased demand in various fields. This review summarizes the use of potent medicinal plant extracts to synthesize metal nanoparticles, methods employed to characterize the properties of the nanoparticles and its application. Characterization of the nanoparticle based on its shape, size, chemical bonds, surface properties, hydrodynamic diameter and crystalline structure using techniques such as UV-Visible Spectroscopy, XRD (X-ray Diffraction), TEM (Transmission Electron Microscopy), SEM (Scanning Electron Microscopy), EDS (X-ray energy dispersive spectroscopy), DLS (Dynamic Light Scattering), Zeta Potential and FTIR (Fourier Transform-Infrared Spectroscopy) are elaborated. The synthesized metal nanoparticles have wide ranges of applications such as antimicrobial activity, antioxidative capability, anticancer effect, antidiabetic properties, plant growth enhancement, dye degradation effects and anti-larval properties. Recent advances in nanotechnology with special emphasis on plant metabolites provide an insight into their usage as plant-derived edible nanoparticles (PDNPs). Applications, limitations and future prospects of this technology have also been briefly discussed. 2021 Bentham Science Publishers. -
Flow and heat transport of nanomaterial with quadratic radiative heat flux and aggregation kinematics of nanoparticles
A numerical study of flow and heat transport of nanoliquid with aggregation kinematics of nanoparticles is carried out using the modified Buongiorno model (MBM). The MBM model is composed of random motion nanoparticles, heat diffusion of nanoparticles, and effective properties of nanoliquids. The effects of quadratic variation of density-temperature (quadratic convection), and the quadratic Rosseland thermal radiation are also studied. Inclined magnetism is also taken into account. The aggregation kinematics of nanoparticles is simulated using the modified Krieger-Dougherty model for dynamic viscosity and the modified Maxwell model for thermal conductivity. The main system of nonlinear partial differential equations is solved using the similarity technique and the finite difference method-based algorithm (FDM). The consequence of several key parameters on velocity, nanoparticle volume fraction, wall heat flux, and temperature are found in two cases, namely weak convective heating and strong convective heating. The study reveals that the suspension of the nanoparticles increases the thermal conductivity and, thus, improves the temperature and reduces the heat flux at the plate. The structures of the thermal and velocity surface layer are higher in the case of strong convective heating, while in the case of weak convective heating, the nanoparticle volume fraction layer is thicker. 2021 Elsevier Ltd -
Identification of emission-line stars in transition phase from pre-main sequence to main sequence
Pre-main-sequence (PMS) stars evolve into main-sequence (MS) phase over a period of time. Interestingly, we found a scarcity of studies in existing literature that examine and attempt to better understand the stars in PMS to MS transition phase. The purpose of this study is to detect such rare stars, which we named as 'transition phase' (TP) candidates-stars evolving from the PMS to the MS phase. We identified 98 TP candidates using photometric analysis of a sample of 2167 classical Be (CBe) and 225 Herbig Ae/Be (HAeBe) stars. This identification is done by analysing the near-and mid-infrared excess and their location in the optical colour-magnitude diagram. The age and mass of 58 of these TP candidates are determined to be between 0.1-5 Myr and 2-10.5 M?, respectively. The TP candidates are found to possess rotational velocity and colour excess values in between CBe and HAeBe stars, which is reconfirmed by generating a set of synthetic samples using the machine learning approach. 2021 The Author(s) Published by Oxford University Press on behalf of Royal Astronomical Society. -
Evaluation of Photoswitching Properties for Hockey Stick-Shaped Mesogens Bearing Azo Benzene Moieties
In this paper, we report the photoresponsive behavior of hockey stick-shaped mesogens bearing azo wing with different terminal alkoxy chains at one terminal end. Except for the compound E16, which exhibits SmC along with nematic phase, all other mentioned compounds exhibit nematic phase alone. Influence of chain length on the photophysical properties were investigated using UV-Vis spectroscopy. It is observed here that influence of chain length is negligible on thermal back relaxation time. Spectroscopic investigation with variable intensities of UV light studies reveals that reverse cis-trans isomerization process was inversely proportional to the intensity of illuminated light. The present study also reveals that the structure-property relationship plays a dominant role on shape anisotropic structures. A spectroscopic study of the solid sample using guest-host mixture was also carried out and the compilation of results forecast these mesogens as ideal candidates for optical storage devices. Copyright 2021 Sunil, Monika, Shanker, Hegde and Prasad. -
Essential employable skill sets in management graduates for finance job roles in India
Purpose: There has been an increase in the number of highly qualified management graduates specialized in finance from various esteemed universities in India, thus increasing the competition for finance job roles in the country. This, therefore, brings in the need for the employees or the prospective candidates to mold their soft skills so as to make them desirable by the companies and hence employable. The purpose of this paper is to provide a list of skills required by management graduates to become employable for finance job roles from the perspective of corporate executives. This list will enable prospective candidates to prepare themselves for a career in the field of finance. Design/methodology/approach: The research was carried out through the collection of data from 117 finance professionals with a minimum work experience of 5 years with the help of structured questionnaires. This was then analyzed through factor analysis and the list of 15 factors was obtained. Findings: A list of 15 essential factors was obtained through the analysis of the data. The essential skills included empathetic and judicious behavior, professional etiquette and employee well-being, ethical behavior, conflict management, change analysis and prediction; practicality and organizational presence of mind; social and moral presence of mind; self-confidence and effective written communication; effective interpersonal communication and employee value systems; responsibility and self-awareness; problem diagnosis and problem-solving; real-time work and activity experience; professional development and advancement; technology rationalization and effective information generation. The findings also included that a candidate should be able to effectively present crucial information and should possess practical advisory skills. Originality/value: The study will be highly beneficial for management graduates who have specialized in finance to secure finance job roles in India. This paper will enable the students to prepare themselves in the essential soft skills required for these job roles apart from technical knowledge and hard skills. 2021, Emerald Publishing Limited. -
From physical to digital: what drives generation Z for mobile commerce adoption?
Purpose: This study aims to identify factors affecting generation Z as the early adopters of mobile commerce (m-commerce). The research seeks to explore their behavioral intention to adopt m-commerce in India with consideration of gender differences while providing empirical validation for the theory of planned behavior (TPB). Design/methodology/approach: In this study, a modified TPB model has been used to explain generation Zs intention to adopt m-commerce. The proposed model was tested using a survey method with a sample of 245 students from a private university in Northern India. Subgroup analysis was performed to find gender differences in the process of adopting m-commerce. Findings: All three independent constructs have a positive influence on the behavioral intention of generation Z to adopt m-commerce. Further, the male subgroup has a lower beta value for attitude and higher beta value for subjective norm in comparison to the female subgroup. For perceived behavioral control, no significant difference in beta value across gender could be established. Practical implications: A better understanding of generation Z behavioral intentions will be of great use to telecom companies, marketers and electronic commerce companies to formulate strategies to expedite the use of m-commerce. As gender plays an important role in attitude and subjective norms, companies are advised to target their communication tactics in accordance to gender. Originality/value: To the best of the authors knowledge, this study is one of the first to test TPB and generation Z association in the context of m-commerce adoption in India. Data regarding the difference between the two genders has also shed light on the uniqueness of the context. 2021, Emerald Publishing Limited. -
Chromatic Zagreb and irregularity polynomials of graphs
Graph coloring is an assignment of colors, labels or weights to elements of a graph subject to certain constraints. Coloring the vertices of a graph in such a way that adjacent vertices are having different colors is called proper vertex coloring. A proper vertex coloring using minimum parameters of colors is studied extensively in recent literature. In this paper, we define new coloring related polynomials, called chromatic Zagreb polynomials and chromatic irregularity polynomials, in terms of minimal parameter coloring and structural characteristics of graphs such as distances and degrees of vertices. 2021 World Scientific Publishing Company. -
Hybrid (ND-Co3O4/EG) nanoliquid through a permeable cylinder under homogeneous-heterogeneous reactions and slip effects
Modeling and computations are performed to study the ND-Co3O4/EG hybrid nanoliquid mixed convective flow past a vertical porous cylinder. The flow analysis and formulation are given accounting for slip effects and homogeneous-heterogeneous reaction impacts. The governing complex equations formed with prescribed boundary conditions are simplified into self-similar equations through the use of suitable transformations. The numerical solutions of the drag coefficient, Nusselt number, liquid velocity, liquid temperature, and the liquid concentration are explored through graphs with the setting of pertaining parameter values. From the results, it is noticed that an ND-Co3O4/EG nanofluid plays a more impressive role in the process of energy transfer than a Co3O4/EG nanofluid. Further, it is found that the heterogeneous reaction parameter decreases the concentration whereas multiple slips enhance the temperature. 2020, Akadiai Kiad Budapest, Hungary. -
Government is trying but consumers are not buying: A barrier analysis for electric vehicle sales in India
It is a harsh fact that the introduction of various government schemes to push electric vehicle (EV) utilisation does not seem to appeal to the consumers. There are a few barriers that prevent consumers from purchasing EVs. Thus, in the present study, we have tried to identify and analyse the prominent barriers to the adoption of EVs by scrutinising the existing literature and defining new barriers. From the literature review, 35 barriers have been initially identified in the context of the Indian market. The study uses the Decision-Making Trial and Evaluation Laboratory (DEMATEL) approach for its analysis. The prominence and causal relationship analyses indicate that familial factors that hinder the decision to buy an EV and unclear government policies regarding EVs were the primary concerns with regard to these vehicles getting traction in the market. The results of this study illustrate the causal relationships amongst the identified barriers. On the other hand, the study reveals that the pricing of the EVs is not a major issue and that the consumers are more concerned about the availability of maintenance support post purchasing of the vehicles. 2021 Institution of Chemical Engineers -
COVID-19 and students perception about MOOCs a case of Indian higher educational institutions
Purpose: The purpose of this paper is to understand the outcomes of Massive Open Online Courses (MOOCs) in the light of COVID-19 concerning the students of higher educational institutions (HEIs) in India. The COVID-19 has disrupted the normal teaching-learning role across the world and has put everyone in a nightmare. HEIs are now requesting students to take up MOOCs to explore and attain knowledge and the same is even followed by the corporate institutions. MOOCs are one of the crisis management solutions to ensure that education is continuous and not disrupted. Design/methodology/approach: The data included in this research has been collected from students of HEIs across India using a convenient sampling method. The collected data was exposed to a factor analysis using a principal component analysis (PCA) technique to reduce multiple dimensions. Findings: The various stakeholders such as the government, HEIs and the MOOC providers have to play a crucial role in developing intellectual human assets for the nations growth and progression by extending flexible and cost-effective learning facilities. Education should be free to boost up the learning motivation, and hence it is the responsibility of the stakeholders to provide few courses free of cost, which will increase the rate of enrolment and student participation. Research limitations/implications: From the research, it is well understood that MOOCs are useful to keep oneself updated with the market and industry trends especially when the world is focusing on business analytics, artificial intelligence and other technologically driven topics and concepts. Practical implications: The present study contributes to the growing body of evidence that MOOCs play an important role in providing flexibility in learning. In the future, if there are similar crisis, which will disrupt education, then the best alternative will be MOOC through which many stakeholders will benefit. Education should be free to boost up the learning motivation, and hence it is the responsibility of the stakeholders to provide few courses free of cost, which will increase the rate of enrolment and student participation. Social implications: Education is a service for the society which will have a long-term positive impact on improving the standard of living of the people. Hence, MOOCs can be one of the educational elements to provide learning opportunities to all age groups. Originality/value: This study has explored the perception of MOOCs among the students of HEIs in India in the COVID-19 pandemic. The fresh data collected from the students is a reflection of their experiences during the COVID-19 lockdown. Indeed, it is quite surprising to know that majority of the respondents have arranged to learn during the pandemic, which shows the thirst and urge to learn. Digital technology and tools are welcomed and accepted by the student community. 2020, Emerald Publishing Limited. -
In silico study of some selective phytochemicals against a hypothetical SARS-CoV-2 spike RBD using molecular docking tools
Background: This world is currently witnessing a pandemic outbreak of COVID-19? caused by a positive-strand RNA virus SARS-CoV-2. Millions have succumbed globally to the disease, and the numbers are increasing day by day. The viral genome enters into the human host through interaction between the spike protein (S) and host angiotensin-converting enzyme-2 (ACE2) proteins. S is the common target for most recently rolled-out vaccines across regions. A recent surge in single/multiple mutations in S region is of great concern as it may escape vaccine induced immunity. So far, the treatment regime with repurposed drugs has not been too successful. Hypothesis: Natural compounds are capable of targeting mutated spike protein by binding to its active site and destabilizing the spike-host ACE2 interaction. Materials and methods: A hypothetical mutated spike protein was constructed by incorporating twelve different mutations from twelve geographical locations simultaneously into the receptor-binding domain (RBD) and docked with ACE2 and seven phytochemicals namely allicin, capsaicin, cinnamaldehyde, curcumin, gingerol, piperine and zingeberene. Molecular Dynamic (MD) simulation and Principal Component Analysis (PCA) were finally used for validation of the docking results. Result: The docking results showed that curcumin and piperine were most potent to bind ACE2, mutated spike, and mutated spike-ACE2 complex, thereby restricting viral entry. ADME analysis also proved their drug candidature. The docking complexes were found to be stable by MD simulation. Conclusion: This result provides a significant insight about the phytochemicals' role, namely curcumin and piperine, as the potential therapeutic entities against mutated spike protein of SARS-CoV-2. 2021 -
Investigations on thermo-mechanical properties of organically modified polymer clay nanocomposites for packaging application
Eco-friendly packing polymer materials are in the spotlight but, lack of new biodegradable polymers either natural or synthetic is yet to establish the market more competitively. So, in the present work, clay as a nano-filler is embedded and organically modified in some synthetic and natural polymers which are well established commercially to enhance their biodegradability. The impact of clay on the properties of synthetic polymers namely, poly(methyl methacrylate) (PMMA), poly(vinyl chloride) (PVC), poly(vinyl acetate) (PVAc) and natural polymer cellulose acetate butyrate (CAB) was studied. Results from differential scanning calorimetric (DSC) showed a decrease in the glass transition temperature of organically modified polymer clay nanocomposites (PCC) than pure polymers. Scanning electron microscopy (SEM) displayed a uniform surface with small-sized crystallites distributed on the polymer surface. X-ray diffraction (XRD) spectra revealed the formation of enhanced intercalated structures in PCC. Furthermore, FTIR studies showed that the interlayer bonding (SiO bands) of pure clay is deformed in PCCs. The tensile strength of PCC increased with an increase in organo-clay loading. This unique mechanical behavior is due to the agglomeration of organo-clay particles. Finally, the biodegradation studies revealed enhanced hydrolytic degradation in PCC than pure polymers. Hence, these PCCs are environmentally friendlier than their pure synthetic polymers without significant compromise in their properties, which makes it suitable for packaging industries. The Author(s) 2020.