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9 result(s) for "Jena, Itishree"
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Structural Models of Zebrafish (Danio rerio) NOD1 and NOD2 NACHT Domains Suggest Differential ATP Binding Orientations: Insights from Computational Modeling, Docking and Molecular Dynamics Simulations
Nucleotide-binding oligomerization domain-containing protein 1 (NOD1) and NOD2 are cytosolic pattern recognition receptors playing pivotal roles in innate immune signaling. NOD1 and NOD2 recognize bacterial peptidoglycan derivatives iE-DAP and MDP, respectively and undergoes conformational alternation and ATP-dependent self-oligomerization of NACHT domain followed by downstream signaling. Lack of structural adequacy of NACHT domain confines our understanding about the NOD-mediated signaling mechanism. Here, we predicted the structure of NACHT domain of both NOD1 and NOD2 from model organism zebrafish (Danio rerio) using computational methods. Our study highlighted the differential ATP binding modes in NOD1 and NOD2. In NOD1, γ-phosphate of ATP faced toward the central nucleotide binding cavity like NLRC4, whereas in NOD2 the cavity was occupied by adenine moiety. The conserved 'Lysine' at Walker A formed hydrogen bonds (H-bonds) and Aspartic acid (Walker B) formed electrostatic interaction with ATP. At Sensor 1, Arg328 of NOD1 exhibited an H-bond with ATP, whereas corresponding Arg404 of NOD2 did not. 'Proline' of GxP motif (Pro386 of NOD1 and Pro464 of NOD2) interacted with adenine moiety and His511 at Sensor 2 of NOD1 interacted with γ-phosphate group of ATP. In contrast, His579 of NOD2 interacted with the adenine moiety having a relatively inverted orientation. Our findings are well supplemented with the molecular interaction of ATP with NLRC4, and consistent with mutagenesis data reported for human, which indicates evolutionary shared NOD signaling mechanism. Together, this study provides novel insights into ATP binding mechanism, and highlights the differential ATP binding modes in zebrafish NOD1 and NOD2.
Structural Models of Zebrafish (Danio rerio) NOD1 and NOD2 NACHT Domains Suggest Differential ATP Binding Orientations: Insights from Computational Modeling, Docking and Molecular Dynamics Simulations: e0121415
Nucleotide-binding oligomerization domain-containing protein 1 (NOD1) and NOD2 are cytosolic pattern recognition receptors playing pivotal roles in innate immune signaling. NOD1 and NOD2 recognize bacterial peptidoglycan derivatives iE-DAP and MDP, respectively and undergoes conformational alternation and ATP-dependent self-oligomerization of NACHT domain followed by downstream signaling. Lack of structural adequacy of NACHT domain confines our understanding about the NOD-mediated signaling mechanism. Here, we predicted the structure of NACHT domain of both NOD1 and NOD2 from model organism zebrafish (Danio rerio) using computational methods. Our study highlighted the differential ATP binding modes in NOD1 and NOD2. In NOD1, gamma -phosphate of ATP faced toward the central nucleotide binding cavity like NLRC4, whereas in NOD2 the cavity was occupied by adenine moiety. The conserved 'Lysine' at Walker A formed hydrogen bonds (H-bonds) and Aspartic acid (Walker B) formed electrostatic interaction with ATP. At Sensor 1, Arg328 of NOD1 exhibited an H-bond with ATP, whereas corresponding Arg404 of NOD2 did not. 'Proline' of GxP motif (Pro386 of NOD1 and Pro464 of NOD2) interacted with adenine moiety and His511 at Sensor 2 of NOD1 interacted with gamma -phosphate group of ATP. In contrast, His579 of NOD2 interacted with the adenine moiety having a relatively inverted orientation. Our findings are well supplemented with the molecular interaction of ATP with NLRC4, and consistent with mutagenesis data reported for human, which indicates evolutionary shared NOD signaling mechanism. Together, this study provides novel insights into ATP binding mechanism, and highlights the differential ATP binding modes in zebrafish NOD1 and NOD2.
Mathematical Modelling of Hypothalamus-Pituitary-Adrenal Axis Dynamics: A Review, a Novel Approach, and Future
A novel mathematical model for the hypothalamic pituitary adrenal (HPA) axis is proposed to comprehend the oscillations observed in hormone concentration and potential dysfunction within the HPA axis in stressful situation. This model integrates impact of hippocampal receptors on the secretion of corticotropin-releasing hormone (CRH), an additional signaling pathway involving Arginine Vasopressin (AVP) for the production and secretion of adrenocorticotropic hormone (ACTH), the inclusion of a daylight-related function for modeling circadian rhythms, and a short negative feedback loop from the pituitary to the hypothalamus in a minimal mechanistic model of the HPA axis. This expansion allows us to estimate model parameters that led to a significant reduction in the mean absolute percent error, thereby enhancing the model's predictive accuracy with a demonstration of a strong fit to the validation dataset. Through sensitivity and correlation analyses, our study shows the parameters that exert the most significant influence on the dynamics of cortisol within the system. This study reveals intricate interdependencies within the model and among the various components of the HPA axis. Despite current advancements in the model to comprehend the dynamics of the HPA Axis, these models are still lacking in addressing major factors such as the impact of genetic and epigenetics, the role of the amygdala in processing and transmitting stress signals, and other minor impacting factors.
SDIQR mathematical modelling for COVID-19 of Odisha associated with influx of migrants based on Laplace Adomian decomposition technique
In this study, the Laplace Adomian decomposition technique (LADT) is employed to analyse a numerical study with the SDIQR mathematical model of COVID-19 for infected migrants in Odisha. The analytical power series and LADT are applied to the Covid-19 model to estimate the solution profiles of the dynamical variables. We proposed a mathematical model that incorporates both the resistive class and the quarantine class of COVID-19. We also introduce a procedure to evaluate and control the infectious disease of COVID-19 through the SDIQR pandemic model. Five compartments like susceptible ( S ), diagnosed ( D ), infected ( I ), quarantined ( Q ) and recovered ( R ) population are found in our model. The model can only be solved approximately rather than analytically as it contains a system of nonlinear differential equations with reaction rates. To demonstrate and validate our model, the numerical simulations for infected migrants are plotted with suitable parameters.
Numerical computation of fractional Kawahara and modified Kawahara equations in Caputo sense on integral transforms
In this study, we employ the modified natural transform decomposition method (MNTDM) based on cubic order convergence of Newton–Raphson method and the iterative Sumudu transform method (ISUTM) to investigate the approximate solution of the time fractional Kawahara and modified Kawahara equation in the Caputo sense. The modified Adomian decomposition method and the iterative approach are utilized to identify the nonlinear components of the equations. Both the method provides a sequence of functions which converges rapidly to the analytical solution of the problems. And the approximate analytical solution to the partial differential equation is obtained through the application of the natural transform, inverse natural transform, Sumudu transform, and inverse Sumudu transform techniques, all performed without differentiating in the time domain. The advantage of employing this approach lies in its ability to generate analytical series solutions for the target equations without the need for discretization, transformation, or any limiting assumptions. The effectiveness of the methods is illustrated through three numerical examples in each case with the error analysis and central processing unit (CPU) time and theoretical concepts also clarified through uniqueness, convergence and stability analysis and the physical interpretation is represented using two-dimensional and three-dimensional figures. The suggested methods are efficient and reliable as compared to others and well as behaved with exact result. Also both methods offer a significant resource for theoretical research as well as practical engineering applications.
Probing the structural, optical absorption, dielectric and impedance properties of Sr-modified BaMnO3 ceramics
This work probes the structural, optical and temperature-dependent dielectric properties of BaMnO 3 and Ba 0.9 Sr 0.1 MnO 3 multiferroic ceramics prepared by conventional solid state reaction technique. XRD analysis indicates rhombohedral perovskite structure of BaMnO 3 . When 10 wt.% Sr is added in the BaMnO 3 matrix against Ba, the rhombohedral structure transforms into hexagonal perovskite structure. The average crystallite size of BaMnO 3 and Ba 0.9 Sr 0.1 MnO 3 were found to be ~ 92 nm and ~ 63 nm, respectively. The lattice parameter and the unit cell volume also decrease with the addition of Sr in pure BaMnO 3 . Through EDX analysis, the presence of all the constituents in the final samples are verified. The optical band gap of BaMnO 3 decreases from 2.33 eV to 1.75 eV, primarily attributed to SrMnO 3 phase and grain boundary effects. A much higher value of dielectric constant i.e. ~ 19,800 at 200 °C with respect to 10 Hz frequency has been achieved with 10 wt.% strontium doping in BaMnO 3 , which may boost the efficiency of electronic devices made up of dielectric materials. The impedance analysis confirms the negative temperature coefficient of resistance (NTCR) behaviour of the sample and semicircular arc Nyquist plot supports the semiconducting nature with non-Debye type of relaxation mechanism in both the samples.
On (1+2) convergence-based Newton–Raphson method for approximate solution of singular value Lane-Emden differential equation via modified Laplace Adomian decomposition technique
In this paper, the modified Laplace Adomian decomposition technique (MLADT) with ( 1 + 2 ) order convergence of Newton–Raphson method is suggested to obtain an approximate solution of singular initial value problems (SIVPs) for Lane-Emden type equation. The current algorithm is primarily based on the Adomian decomposition technique. The Laplace transformation is implemented successfully to handle the solution of singular initial value problems. Three numerical examples are explored to test the efficiency and robustness of the present method. The solution of the proposed method is shown as a succession of Adomian components and converged to the analytical solution of the stated problems. A drastic comparison is also performed between exact and existing result. The effectiveness of the method is reported in tables as numerical data and depicted graphically in two-dimensional plots.
Effect of Work–Life Balance on Organizational Citizenship Behaviour: Role of Organizational Commitment
Balancing work and life stands as an on-going challenge in contemporary times. Today’s global market place demands conflicting professional responsibilities in the form of unflinching ‘work–life commitment’. In organizational context, a high quality of work–life balance is essential to continue attracting and retaining its employees. This kind of practice is having significant implications on employee attitudes, behaviours, well-being as well as organizational effectiveness. In contemporary times, many multinational corporations (MNCs) have been found focusing on organizing work–life programmes as these are becoming an intelligent choice to help in increasing job satisfaction among employees and in career accomplishment. On the other hand, the popular concept of ‘organizational citizenship behaviour’ inherently strives from its employees to extend their discretionary behaviours beyond the expected normal duties. However, this kind of anticipated behaviour of employees is somehow silently contradicting the notion of work–life balance. Thus, in this context, the influences of work–life balance on organizational citizenship behaviour need to be explored. Keeping this objective in mind, the present study examines the effect of work–life balance on organizational citizenship behaviour. It examines the role of organizational commitment on the relationship between work–life balance and organizational citizenship behaviour. A survey was conducted using a set of established questionnaire on work–life balance, organizational citizenship behaviour and organizational commitment with employees and executives of manufacturing industries in eastern India. The study reports significant effects of work–life balance on organizational citizenship behaviour. It also shows the mediating effect of organizational commitment on the relationship between work–life balance and organizational citizenship behaviour. The study has suggested implications for researchers and practitioners in the field of human resource management and experts in the area of organizational development.
Utilization of Ayurveda, Yoga, Naturopathy, Unani, Siddha, and Homoeopathy (AYUSH) Practitioners’ Services Among Older Adults: Results From the Longitudinal Aging Study in India
Ayurveda, yoga, naturopathy, Unani, Siddha, and homeopathy (AYUSH) form an alternative system of medicine in India. Understanding the utilization of AYUSH practitioners' services is crucial to substantiating the current government initiatives to mainstream AYUSH in the Indian health system. The utilization of AYUSH practitioners' services among different sub-populations, including older adults, for various health conditions is underexplored. The present study explores the utilization of AYUSH practitioners' service among older Indian adults and its correlates. During 2017-2018, the Longitudinal Aging Study in India (LASI) conducted a nationally representative study among adults aged 45 years or more and their spouses. The study leveraged this data from publicly available LASI. Descriptive analysis and cross-tabulation were performed using a subset of older adults (age ≥ 60 years, n = 31,464). The utilization of AYUSH practitioners' services was taken as the outcome variable. A logistic regression model was employed to understand the independent effect of various explorative variables on the use of AYUSH practitioners' services. One in 14 older adults utilized the services of AYUSH practitioners. The socio-demographic factors that were looked at, including religion, residence, and caste were significant independent factors for AYUSH consultation. Among chronic conditions, hypertension (use-5.6%, AOR: 1.24, CI: 1.09-1.40), diabetes (use-4.2%, AOR: 1.31, CI: 1.09-1.57), and arthritis (use-9.1%, AOR: 0.59, CI: 0.52-0.67) were independent determinants of AYUSH practitioners' service utilization. In the fully adjusted model, the effect of explanatory variables is almost similar to that in the minimally adjusted model. Only the effect of the female gender was accentuated in magnitude, whereas the effect of diabetes was partially attenuated. The preference for AYUSH practitioners' service among older adults is determined by the complex interplay between socio-demographic factors and disease conditions. Though utilization of AYUSH practitioners' service was high among certain underprivileged sections, it is assuring that education and income do not affect older populations' preference for AYUSH practitioners' service.