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DFT studies on D?A substituted bis-1,3,4-oxadiazole for nonlinear optical application
In the present work, we have synthesized novel D?A substituted bis-1,3,4-oxadiazoles derivatives and studied nonlinear optical properties using density functional theory (DFT). The FT-IR and 1H NMR data confirmed the structure of the molecule. The HOMOLUMO, energy band gap, molecular electrostatic potential map, and global chemical reactivity descriptors were estimated using the DFT and TD-DFT with B3LYP, CAM-B3LYP and WB97XD using 6-31G (d) levels basis set and results show all synthesized molecules have excellent chemical hardness, chemical potential, excellent chemical strength, and excellent chemical stability. The static and dynamic linear polarizability, first hyperpolarizability and second hyperpolarizability components were estimated using time-dependent density functional theory. The first-order hyperpolarizability ? (2x; x, x) computed at a wavelength of 1064nm was found to be 55 times greater than the urea molecule. The dynamic molecular second-order hyperpolarizabilities ? (?3x;x,x,x) suggested good nonlinear properties for the designed molecule. The Author(s), under exclusive licence to The Optical Society of India 2024. -
DFT, spectroscopic studies, NBO, NLO and Fukui functional analysis of 1-(1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethylidene) thiosemicarbazide
A novel triazole derivative 1-(1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethylidene) thiosemicarbazide was synthesized and subjected to density functional theory (DFT) studies employing B3LYP/6-31+G(d,p) basis set. Characterization was done by FT-IR, Raman, mass, 1H NMR and 13C NMR spectroscopic analyses. The stability of the molecule was evaluated from NBO studies. Delocalization of electron charge density and hyper-conjugative interactions were accountable for the stability of the molecule. The dipole moment (?), mean polarizabilty (??) and first order hyperpolarizability (?) of the molecule were calculated. Molecular electrostatic potential studies, HOMO-LUMO and thermodynamic properties were also determined. HOMO and LUMO energies were experimentally determined by Cyclic Voltammetry. 2018 Elsevier B.V. -
Dharma as a binary identity
The idea of Dharma has different connotation in History from that of religion as is popularly understood. While it is accepted as righteousness, it transcends the notion that Dharma represents piety, spirituality, belief and nobility. On the contrary, History is replete with instances of how religion, an institutionalized aspect of Dharma, was constantly articulated as representing Authority, Power, Status and Hierarchy. Due to these interpretations Dharma often was projected as a tool for realization of the above by various institutions, be they, political, social, cultural or economic, and Dharma provided legitimacy and justified their identities. The present paper juxtaposes this articulation in the context of Ancient and Medieval India, spanning a period approximately from 3rd century BCE to 10th century CE. It argues that the different trajectories that flowed between Dharma and various other secular institutions constantly witnessed divergence as well as assimilation at various points of time. 2015 Journal of Dharma: Dharmaram Journal of Religions and Philosophies (DVK, Bengaluru), ISSN: 0253-7222. -
Dhat syndrome and its perceived impact on psychological well-being
Background: Dhat syndrome is a culture-bound syndrome originating in the Indian subcontinent, primarily among men characterized by the fear of loss of semen. Objective: The article discusses the perceived impact of Dhat syndrome on the overall psychological well-being of the individual. Method: Four patients from hospitals in Kolkata, West Bengal, were screened using MINI and then interviewed using semi-structured interview to assess presenting concerns, interventions, psychological well-being, attitude toward sex and masturbation, and their sociodemographic details. The data were then categorized based on the dimensions of the questionnaire, which was then analyzed individually and separately based on the dimensions. The differences and commonalities between the dimensions as conveyed by the participants were then reported. Results: The analysis showed that the participants reported lower levels of psychological well-being based on the categories of Seligman's PERMA model and attributed it to the symptoms experienced by them. They traced the beginning of the hindrances to achieving optimal well-being to the onset of symptoms. Conclusion: This article proposes the incorporation of integrative therapeutic interventions and advocacy of sex education to address the psychological well-being over the current symptom reduction interventions used. 2019 Indian Journal of Social Psychiatry | Published by Wolters Kluwer - Medknow. -
Di-cationic ionic liquid catalyzed synthesis of 1,5-benzothiazepines
A simple and elegant method for the synthesis of 1,5-benzothiazepines has been developed using di-cationic liquid as a solvent cum catalyst by the reaction of o-aminothiophenol with a variety of chalcones under mild reaction conditions. Furthermore the reusability of the catalyst has also been studied for three cycles. All the reactions are proposed to proceed through a 1,4-conjugate Michael addition followed by a cyclo-condensation reaction. 2018, Chemical Publishing Co. All rights reserved. -
Diabetes mellitus prediction using machine learning within the scope of a generic framework
Artificial intelligence (AI) based automated disease prediction has recently taken a significant place in the field of health informatics. However, due to unavailability of real time large scale medical data, the dynamic learning of prediction models remains principally subsided. This paper, therefore proposes a dynamic predictive modelling framework for chronic diseases prediction in real-time. The framework premise suggests creation of a centralized patient-indexed medical database to dynamically train machine learning (ML) models and predict risk levels of chronic diseases in real time. In this study, comprehensive empirical evaluations to train seven state-of-the-art ML models for diabetes risk prediction are performed in context of phase 2 of the suggested framework. The selected optimal model can then be dynamically applied to predict diabetes in phase 3 of the framework. Various metrics such as accuracy, precision, Recall, F1-score and receiver operating characteristic (ROC) curve are employed for evaluating performances of the trained models. Parameter tunings using different type of kernels, different number of neighbors and estimators are rigorously performed in order to create a suggestive literature for healthcare prediction ecosystem. Comparative analysis indicates high prediction accuracies on diabetes test data records for neural network and support vector machine (SVM) models as compared to other applied models. 2023 Institute of Advanced Engineering and Science. All rights reserved. -
Diagnose Diabetic Mellitus Illness Based on IoT Smart Architecture
Obtaining a quick remote diagnosis of heart disease has proven problematic in recent days. To overcome such issues in e-Healthcare systems, Internet of Things (IoT) applications have been deployed using cloud computing (CC) approaches. There are still a number of disadvantages to using CC, including latency, bandwidth, energy usage, and security and privacy concerns. Fog computing (FC), a CC development, may be able to overcome these obstacles. DiaFog enabling remote users for real-time diagnosis of diabetic mellitus disease (DMD) has been proposed in this study, which is based on the combined ideas of IoT, cloud, and fog computing, as well as an ensemble deep learning (EDL) technique. The proposed system is trained with EDL approaches on the integrated dataset of two diabetes mellitus disease datasets (DMDDs), namely, Pima Indians Diabetes Dataset (PIDD) and Hospital Frankfurt Germany Diabetes Dataset (HFGDD), obtained from the UCI-ML and Kaggle repository, respectively, and the integrated dataset of these two. The suggested system has been used to demonstrate accuracy, precision, recall, F-measure, latency, arbitration time, jitter, processing time, throughput, energy consumption, bandwidth utilization, network utilization, scalability, and more. In the remote instantaneous diagnosis of diabetic patients, the integration of IoT-fog-cloud is useful. The results of the trials show the value of employing FC principles and their applicability for speedy diabetic patient remote diagnosis. PACS-key is describing text of that key PACS-key describing text of that key. 2022 Abhilash Pati et al. -
Diagnosis and prediction of iigps countries bubble crashes during brexit
We herein employ an alternative approach to model the financial bubbles prior to crashes and fit a log-periodic power law (LPPL) to IIGPS countries (Italy, Ireland, Greece, Portugal, and Spain) during Brexit. These countries represent the five financially troubled economies of the Eurozone that have suffered the most during the Brexit referendum. It was found that all 77 crashes across the five IIGPS nations from 19 January 2015 until 17 February 2020 strictly followed a log-periodic power law or other LPPL signature. They all had a speculative bubble phase (following the power law growth) that was then followed by a sudden crash immediately after reaching a critical point. Furthermore, their pattern coefficients were similar as well. This study would surely assist policymakers around the Eurozone to predict future crashes with the help of these parameters. 2021 by the authors. Licensee MDPI, Basel, Switzerland. -
Diametral paths in total graphs of complete graphs, complete bipartite graphs and wheels
The diametral path of a graph is the shortest path between two vertices which has length equal to diameter of that graph. In raising of structures with columns and beams in Civil Engineering, determining of diametral paths is of great significance. In this paper, the number of diametral paths is determined in complete graphs, complete bipartite graphs, wheels and their total graphs. IAEME Publication. -
Diaspora Experience Between the Creation and the Creator : A Closer Look at the Diaspora Connected Character in Anita Desai's 'Fasting, Feasting'
Quest International Multidisciplinary Research Journal, Vol-1 (2), pp. 83-86. ISSN-2278-4497 -
Diazo-pyrazole analogues as photosensitizers in dye sensitised solar cells: Tuning for a better photovoltaic efficiency using a new modelling strategy using experimental and computational data
The designing of a dye sensitised solar cell (DSSC) is one of the frontiers in harvesting solar energy as it provides an alternative to economic photovoltaic devices with increased efficiency. In this manuscript, we report a new methodology using experimental and theoretical data for the evaluation of the photosensitiser activity of organic dyes using theoretical simulations and experimental cell efficiency data. As a representative example, we designed a series of 54 novel pyrazole derivatives which are subjected to TD-DFT simulations (CAM-B3LYP/6-311G++ (2d, p)) and photovoltaic modelling. Data from computational simulations, as well as known experimental cells, are used for the calculation of photovoltaic efficiency. We selected pyrazole derivatives because of its proven use in DSSC as an effective dopant in a blended polymer electrolyte in nanocrystalline DSSC. Fine-tuning with the effect of substitution and with the ?spacers at the ortho, meta and para positions for -OCH3, -OH, -CHO, -NO2 respectively were done. Enhanced efficiency of 7.439% was observed as compared to the standard cell of efficiency of 5.530%. An increase in efficiency was not observed with the effect of ?spacers. The newly designed dyes demonstrate desirable energetic and spectroscopic parameter that can lead to efficient metal-free organic dye sensitiser for DSSC's. The main advantage of this strategy is the incorporation of both simulated and experimental data. It will reduce the possible errors from the simulations and also, helps in performing time-consuming experimental studies. 2020 Walter de Gruyter GmbH, Berlin/Boston. -
Did Russia's Invasion of Ukraine Induce Herding Behavior in the Indian Stock Market?
This study empirically examines the herding behavior of the Indian stock market investors during the heightened geopolitical tensions between Russia and Ukraine in 2022. An intensified Russia-Ukraine geopolitical event window was constructed, and the high-frequency trading data (intraday) of the Nifty index was analyzed using Multifractal Detrended Fluctuation Analysis (MFDFA) to compute the 5th-order Hurst exponent (Hq (5)) that detects herding behavior. The study's empirical results revealed the presence of profound herding behavior during the intensified Russia-Ukraine geopolitical event window. The study contributes to the existing literature on herding behavior by examining the impact of a geopolitical event on the Indian stock market. Additionally, the study utilizes MFDFA to compute Hurst exponents, a relatively new approach to detecting herding behavior in financial markets. The findings of this study may assist investors and policymakers in understanding the impact of geopolitical events on financial markets and the potential for herding behavior among investors during times of heightened uncertainty. The study's results demonstrate the interconnectedness of global events and financial markets, highlighting the need for policymakers to consider the potential social and economic consequences of geopolitical events. 2023 The Author(s). -
Did the Economic Reforms Change the Macroeconomic Drivers of the Indian Economy in the Post-Reform Era? An ARDL Bounds Test Approach
Purpose: The purpose of this study is to investigate the macroeconomic forces that have been driving the Indian economy during both the pre-reform and post-reform eras, that is, from 1950-1951 to 1990-1991 and from 1991-1992 to 2022-2023 respectively. Problem: The Indian economy underwent significant economic and financial sector reforms in 1991-92, with the goal of reviving its stagnant growth. These reforms are intended to spur the economic growth of India. What were the main forces behind the Indian economy before and after the reforms? Is the research question. The goal of the current study is to determine if the economic reforms shifted or maintained the pre-reform eras driving forces for the Indian economy in the post-reform era. Design/Methodology/Approach: The gross domestic product (GDP), the gross domestic savings (GDS), the private consumption expenditure (PFCE), the government final consumption expenditure (GFCE), the inflation rate, the exchange rate, the exports, the imports, the internal and external borrowings of the government, personal remittances, foreign direct investment (FDI), and foreign portfolio investments (FPI) are all taken into consideration in order to fill the research gap that has been identified as a result of the comprehensive review of the literature. Following an analysis of the selected variables' fundamental characteristics, an econometric model is developed using the Autoregressive Distributed Lag (ARDL) Bounds Test Model. Findings: There is no evidence of long-run causation and association between the variables, but the findings of the ARDL Bounds Test showed that in the pre-reform period, PFCE is the major driver of the GDP in the short-run, with strong support from imports. However, since the reform, PFCE, GDS, and Exports are the primary short-and long-term contributors to GDP. Practical Implication: These findings indicate that India's macroeconomic system is shifting. The Indian economy has undergone a dramatic shift, moving away from a reliance on imports and toward one that is consumer-driven and export-driven. As savings and consumer expenditures are the main drivers of the Indian economys growth in the post-reform era, policies should be designed to increase savings and consumption as well as increase exports. 2023, ASERS Publishing House. All rights reserved. -
Did the selected economic variables impact the inflation and GDP growth of India during 1990-2016? /
Sumedha Journal of Management, Vol.7, Issue 3, pp.1-21, Print ISSN No. 2277-6753. Online ISSN No. 2322-0449. -
Differential Approach of Bioremediation by Sclerotium rolfsii Towards Textile Dye
Synthetic dyes are extensively used in various industries and are one of the major contaminants of industrial effluents. Dyes being xenobiotic, carcinogenic, and toxic there is need for their effective removal and detoxification to conserve water resources. Tremendous research has been carried out to identify potent microorganisms that facilitate bioremediation of these harmful dyes. A static batch culture has proved white rot fungi Sclerotium.rolfsii as an efficient catalyst in bioremediation of textile dyes and to compare their efficiency in decolourisation of two different azo dyes. Studies revealed the organism employ different remedial approach to cationic dye (Malachite green) and anionic dyes (Rose Bengal). Decolourisation of malachite green was a gradual with degradation and bio-transformation to colourless, non-toxic by products while Decolourisation of rose Bengal was quick process of biosorption. S.rolfsii exhibited 89% of decolourisation of malachite green dyes at higher concentration of 900mg/L while 96% for rose Bengal at 900mg/L. The mechanism of dye decolourisation was proposed using the UV Vis spectrophotometry, FTIR, XRD, HPLC and SEM. Microbial toxicity studies confirmed the dye metabolites of degraded malachite green was less toxic compared to original dye. Com- prehensively studies illustrate the sustained application of S. rolfsii as model organism for bioremediation of complex industrial effluents due to its differential bio remedial approach can potentially decolourise or remove various dyes. 2023, Association of Biotechnology and Pharmacy. All rights reserved. -
Differential Laccase Production among Diverse Fungal Endophytes in Aquatic Plants of Hulimavu Lake in Bangalore, India
The ability of plants to acclimatise and thrive in stressed environments can be attributed, in part, to the reserve of endophytic fungi that they harbour, that help enhance physiological and immunological defence and tolerance to various biotic and abiotic stressors. The present work has focussed on screening laccase producing endophytic fungi residing in different aquatic plants isolated from Hulimavu Lake, Bengaluru. This lake is well known for its water pollution contributed by anthropogenic factors. Survival of plants in this lake can hence be associated with their rich repertoire of endophytic fungi that enhance host plant defence towards stressors. Upon isolation and culturing of endophytic fungi, qualitative laccase detection using laccase specific growth media and quantitative laccase estimation using ABTS (2,2-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid)) substrate were performed. Differential production rates were observed for the laccase enzyme by different endophytic fungi; production rates also varied between fungi isolated from different parts like node, stem, root and leaf of the same plant species too. Phylogenetic analysis of fungal isolates with highest laccase production was performed and the species was found to be Cladosporium tenuissimum. Even the crude extract of this strain displayed laccase production of 42.16U/L, as revealed by ABTS assay. Hence this strain is a promising candidate for optimization studies for utilisation in the domain of bioremediation and industrial applications. The Author(s) 2023. -
Digital awakening religious communication in a virtual world
This paper explores the religious presence and possibilities in the virtual world. An analysis of communication progress leads to the present scenario of new media environment. Based on the idea of revelation and a system of autopoiesis, religion appears like a closed communicator. Religion's communication needs to be placed within the context of evolving new media environment. Basing on McLuhan's theory of extension, religious narratives need new forms of presence in the digital world. When it comes to diffusion of innovation (Everett Rogers) the state of religion appears precarious. From a communication perspective adoption of innovation by religion can come under the category of 'laggards' and 'luddites'. The transference of religion's presence from the real to the virtual demands new innovative and participatory models to serve the digital natives. 2015 Journal of Dharma: Dharmaram Journal of Religions and Philosophies (DVK, Bangalore), ISSN: 0253-7222. -
Digital filter architectures for multi-standard wireless transceivers
This paper addresses on two different architectures of digital decimation filter design of a multi-standard RF transceivers. Instead of using single stage decimation filter network, the filters are implemented in multiple stages using FPGA to optimize the area and power. The proposed decimation filter architectures reflect the considerable reduction in area & power consumption without degradation of performance. The filter coefficients are derived from MATLAB , the filter architectures are implemented and tested using Xilinx SPARTAN FPGA . The Xilinx ISE 9.2i tool is used for logic synthesis and the Xpower analysis tool is used for estimating the power consumption. First, the types of decimation filter architectures are tested and implemented using conventional binary number system. Then the different encoding scheme i.e. Canonic Signed Digit (CSD) representation is used for filter coefficients and then the architecture performance is tested .The results of CSD based architecture shows a considerable reduction in the area & power against the conventional number system based filter design implementation. -
Digital financial inclusion: A payoff of financial technology and digital finance uprising in India
Technological inventions and innovations paved a way for upheaval in the financial market. New technologies such as the internet, artificial intelligence, machine learning, big data, biometric identification, and blockchain technology brought new financial technologies (Fintechs) namely Unified Payment Interface, Immediate Payment System, and Mobile Money into existence. As a result of the development of Fintechs, digital finance companies and digital financial services and products emerged and got well-liked among the people because of their convenient, speedy, simple, and user-friendly functions. In fact, digital finance companies work a mile further, in the name of digital financial inclusion, by serving excluded, marginalized, neglected individuals and Small and Medium Enterprises through their innovative, affordable, quality, and speedy digital financial services and products. This article focuses on Fintechs, digital finance, and their role in digital financial inclusion in India using the existing sources of the World Bank, Reserve Bank of India, National Payment Corporation of India, and United Nations Organizations. IJSTR 2019. -
Digital financial literacy among adults in India: measurement and validation
The ongoing COVID-19 pandemic has considerably promoted the usage of Digital Financial Services (DFS) in India. Therefore, exploring the various determinants influencing the DFS users is crucial for the DFS providers to understand their customers better. This study aims to identify, measure, and validate the determinants of Digital Financial Literacy (DFL) from the Indian adults who use Digital Financial Services. A sample of 384 adult DFS users from India was surveyed using a self-administered questionnaire in 2021. A multidimensional scale was developed to measure the Digital Financial Literacy in this study. The results exhibit that Digital Knowledge, Financial Knowledge, Knowledge of DFS, Awareness of Digital Finance Risk, Digital Finance Risk Control, Knowledge of Customer Right, Product Suitability, Product Quality, Gendered Social Norm, Practical Application of Knowledge and Skill, Self-determination to use the Knowledge and Skill and Decision Making are the determinants of DFL among the adults in India. Further, the users of DFS without DFL will face numerous challenges such as inability to com-plete the transaction, financial loss and privacy breach, etc. Hence, the study concludes that DFL is prerequisite to use DFS effectively. 2022 The Author(s). This open access article is distributed under a Creative.