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DeepBBBP: High Accuracy Blood-brain-barrier Permeability Prediction with a Mixed Deep Learning Model
Blood-brain-barrier permeability (BBBP) is an important property that is used to establish the drug-likeness of a molecule, as it establishes whether the molecule can cross the BBB when desired. It also eliminates those molecules which are not supposed to cross the barrier, as doing so would lead to toxicity. BBBP can be measured in vivo, in vitro or in silico. With the advent and subsequent rise of in silico methods for virtual drug screening, quite a bit of work has been done to predict this feature using statistical machine learning (ML) and deep learning (DL) based methods. In this work a mixed DL-based model, consisting of a Multi-layer Perceptron (MLP) and Convolutional Neural Network layers, has been paired with Mol2vec. Mol2vec is a convenient and unsupervised machine learning technique which produces high-dimensional vector representations of molecules and its molecular substructures. These succinct vector representations are utilized as inputs to the mixed DL model that is used for BBBP predictions. Several well-known benchmarks incorporating BBBP data have been used for supervised training and prediction by our mixed DL model which demonstrates superior results when compared to existing ML and DL techniques used for predicting BBBP. 2022 Wiley-VCH GmbH. -
In Silico Analysis of the Apoptotic and HPV Inhibitory Roles of Some Selected Phytochemicals Detected from the Rhizomes of Greater Cardamom
Occurrence of cervical cancer, caused due to persistent human papilloma virus (HPV) infection, is common in women of developing countries. As the conventional treatments are expensive and associated with severe side effects, there is a need to find safer alternatives, which is affordable and less toxic to the healthy human cells. Present study aimed to evaluate the anti-HPV and apoptotic potential of four compounds from the greater cardamom (Amomum subulatum Roxb. var. Golsey), namely rhein, phytosphingosine, n-hexadecenoic acid and coronarin E. Their anti-HPV and apoptotic potential were studied against viral E6, E7 and few anti-apoptotic proteins of host cell (BCL2, XIAP, LIVIN) by in silico docking technique. Phytochemicals from the plant extract were analysed and identified by LC/MS and GC/MS. Involvement of the target proteins in various biological pathways was determined through KEGG. Structural optimization of the three-dimensional structures of the ligands (four phytochemicals and control drug) was done by Avogadro1.1. Receptor protein models were built using ProMod3 and other advanced tools. Pharmacophore modelling of the selected phytochemicals was performed in ZINCPharmer. Swiss ADME studies were undertaken to determine drug likeness. The ligands and proteins were digitally docked in DockThor docking program. Protein flexibility-molecular dynamic simulation helped to study proteinligand stability in real time. Finally, the correlation of evaluated molecules was studied by the use of principal component analysis (PCA) based on the docking scores. All the ligands were found to possess apoptotic and anti-cancer activities and did not violate Lipinsky criteria. n-Hexadecanoic acid and its analogues showed maximum efficacy against the target proteins. All the proteinligand interactions were found to be stable. The uncommon phytochemicals identified from rhizomes of greater cardamom have anti-cancer, apoptotic and HPV inhibitory potentials as analysed by docking and other in silico studies, which can be utilized in drug development after proper experimental validation. 2022, The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature. -
Aging, sexual intimacy, and challenges in contemporary India: A qualitative study
An individual's life is shaped by age norms practiced in a particular society. In most societies, there is a deadline for every life event. Sexual intimacy is an essential part of every individual. However, sexual intimacy seems appropriate for young individuals, and middle-aged and older are considered asexual. Those who share sexual intimacy at a later age have to face the consequences for this age-inappropriate behavior in society. This study analyses Badhaai Ho film to explore the consequences of sharing sexual intimacy by middle-aged heterosexual couples in their 50s as it is forbidden by prevalent social norms. This study also explores the role of family in dealing with the repercussions of actions against the prescribed social norms. Thematic analysis suggests that society has a predefined age-bound box for individuals with different age categories. The middle-aged couple suffers various consequences for breaking the prescribed age-bound box. The role of the family is found to be crucial in mending the box by replacing it with an updated version. There are also gender differences in attitude toward sexual intimacy. Implications of this study can be utilized to explore the pathway of social change in existing social (age) norms in any society. Copyright 2022 Srivastava and Upadhaya. -
Studies on the characterisation of thiophene substituted 1,3,4-oxadiazole derivative for the highly selective and sensitive detection of picric acid
A novel thiophene substituted 1,3,4-oxadiazole based chemosensor namely 2-(4-(5-(5-hexylthiophen-2-yl) thiophen-2-yl)phenyl) -5-(5-(5-(5-hexylthiophen-2-yl) thiophen-2-yl)thiophen-2-yl)-1,3,4-oxadiazole [TKO] has been characterised for the efficient detection of picric acid (PA) based on fluorescence quenching mechanism. In this regard, the electronic absorption spectra, fluorescence spectra, and fluorescence lifetime of TKO are recorded in the presence of different nitroaromatic compounds (NACs) in ethanol at room temperature. The absorption studies exhibited a blue shift in the absorption maxima with the increase in the concentration of PA. In the fluorescence titration studies, TKO shows a remarkable fluorescence quenching with picric acid as compared to other nitroaromatic compounds. Using the Benesi-Hildebrand plot, the binding constant value of PA with TKO is determined and is of the order of 6.467 104 M?1. Job's plot analysis confirms the 1:1 binding stoichiometry ratio between TKO and PA and is supported by the 1H NMR studies. The detection limit is determined and is of the order of 10.08 M. The competitive studies revealed that TKO is highly selective for recognizing PA without the interference of other NACs. The theoretical studies were also carried out to understand the binding mechanisms of PA with TKO. The fluorescence quenching of TKO by PA may be attributed to photo induced electron transfer (PET). Overall, the experimental findings suggest that, the novel probe TKO may be used as a highly selective and sensitive chemosensor for the detection of explosives like picric acid. 2022 Elsevier B.V. -
Implementation and Investigation of an Optimal Full Adder Design for Low Power and Reduced Delay Conditions
Full adder is one of the important components in electronics, used for various fundamental processing algorithms such as addition and multiplication. The application of these full adders is included in but not limited to Very Large-Scale Integration (VLSI) and Digital Signal Processing (DSP). To provide scalability and reliability to the advanced algorithms for high-end applications, the designing system of full adder should be enhanced. So, in this paper, we intended to improve the efficiency of a full adder circuit to work under low power and delay conditions. The software we used in this project is MENTOR GRAPHICS using 180nm technology. The efficiency of the proposed transistor design is evaluated by analysing the power consumption, delay, PDP, capacitor load, delay w.r.t capacitance and PDP w.r.t capacitance. The parameters are compared between our proposed design and the literature schemes such as OLPFAD, DFEFA, DTLPCFA, and DPEHFA, respectively. It is evident that our proposed design outperforms the other. 2022, The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature. -
Understanding the secular evolution of NGC 628 using UltraViolet Imaging Telescope
Secular and environmental effects play a significant role in regulating the star-formation rate and hence the evolution of the galaxies. Since ultraviolet (UV) flux is a direct tracer of the star formation in galaxies, the UltraViolet Imaging Telescope (UVIT) onboard AstroSat enables us to characterize the star-forming regions in a galaxy with its remarkable spatial resolution. In this study, we focus on the secular evolution of NGC 628, a spiral galaxy in the local Universe. We exploit the resolution of UVIT to resolve up to ?63 pc in NGC 628 for identification and characterization of the star-forming regions. We identify 300 star-forming regions in the UVIT far-UV image of NGC 628 using ProFound and the identified regions are characterized using Starburst99 models. The age and mass distribution of the star-forming regions across the galaxy supports the inside-out growth of the disc. We find that there is no significant difference in the star-formation properties between the two arms of NGC 628. We also quantify the azimuthal offset of the star-forming regions of different ages. Since we do not find an age gradient, we suggest that the spiral density waves might not be the possible formation scenario of the spiral arms of NGC 628. The headlight cloud present in the disc of the galaxy is found to be having the highest star-formation rate density (0.23 Myr-1 kpc-2) compared to other star-forming regions on spiral arms and the rest of the galaxy. 2022 The Author(s) Published by Oxford University Press on behalf of Royal Astronomical Society. -
The mediating role of parental playfulness on parentchild relationship and competence among parents of children with ASD
Purpose: The difficulties of a child diagnosed with autism spectrum disorder (ASD) can lead to behaviours that are quite challenging for parents to understand and address. Most of the parental studies of ASD focus on the challenges faced by the parents. This study aims to adopt a strength-based model that investigates the mediating role of parental playfulness in the association between parentchild relationship and parental competence. Design/methodology/approach: This study is a quantitative study that adopts a correlational research design. The mediation analysis explores the role of parental playfulness as a mediator in the association between parentchild relationship and parental competence. The sample consisted of 120 parents of children diagnosed with ASD from India, selected using a purposive sampling technique. Findings: The mediation analysis results indicate that playfulness among parents of children with ASD was found to function as a partial mediator in the relationship between parentchild relationship and parental competence. This could suggest that more playful parents have better parentchild relationships and are competent in parenting. Research limitations/implications: These findings have importance in understanding the role of playful interaction on parentchild relationships and parenting competence, having implications for further research. Enabling playfulness in parenting will enhance children and parents to promote their relationship and thus feel competent to bring positive light in their lives. Practical implications: Most often, the clinicians are concerned with addressing only the autistic symptoms; it is also essential to look into parental well-being. Practical playful interaction training should help parents establish a rapport, understand, adjust and adapt with their child. Social implications: Practical intervention and training plans can be suggested to all family members to improve the condition of the child and the familys general well-being. As the study focused on the clinical population, the findings could provide useful inputs for mental health professionals and counsellors. Originality/value: There are some theoretical and empirical evidence that support positive outcomes of playfulness on personal well-being (Atzaba Poria, in press; Yue et al., 2016; Proyer, 2014). Although there has been some interest in the impact of childrens playfulness on their development (Bundy, 1997), little is known about the influence of parental playfulness on parents and children. Therefore, addressing these gaps, this empirical study focusses on investigating the role of parental playfulness in parentchild relationship and parental competence, rather than considering external challenges of parents based on the ASD childs behavioural challenges and autistic features. 2021, Emerald Publishing Limited. -
Active galactic nucleus feedback in NGC 3982
The energetic feedback from supermassive black holes can influence star formation at the centres of galaxies. Observational evidence for active galactic nucleus (AGN) impact on star formation can be searched for in galaxies by combining ultraviolet imaging and optical integral field unit data. The ultraviolet flux directly traces recent star formation, and the integral field unit data can reveal dust attenuation, gas ionisation mechanisms, and gas kinematics from the central regions of the galaxy disk. A pilot study on NGC 3982 shows star formation suppression in the central regions of the galaxy, likely due to negative AGN feedback, and enhanced star formation in the outer regions. The case of NGC 3982 could be observational evidence of AGN feedback operating in a Seyfert galaxy. 2022 EDP Sciences. All rights reserved. -
Fluorescent detection of Pb2+ pollutant in water samples with the help of Delonix regia leaf-derived CQDs
Heavy metals released from different sources into water bodies are a major concern in the view of environmental protection. Their non-biodegradability and the numerous health hazards add to the issue. Scientists worldwide have emphasized the issue and are trying to resolve it by different means. Among all the methods, the fluorescent method stands out for its simplicity and rapid results. Here, the study focuses on the development of an efficient and sustainable method for the detection of lead in waste-water effluents. Carbon quantum dots (GCDs), a highly non-toxic substance developed from Delonix regia leaves for the purpose via a simple hydrothermal method. The prepared GCDs exhibited good photostability and water solubility; they also displayed a bright red emission when irradiated with ultraviolet (UV) light. Here, the authors propose the synthesized GCDs as an effective fluorescent probe for sensitive detection of lead ions in aqueous samples. Photoluminescence quenching of GCDs by the addition of lead was studied and a good detection limit of 3.3 nM with a linear range of 10180 M was achieved. Further, real sample analysis was also conducted to prove the applicability of the synthesized GCDs. 2022 Elsevier B.V. -
Translation and validation of the Tamil version of depression anxiety stress scales-21
The Depression Anxiety Stress Scales-21 (DASS-21) is a well-established scale designed to measure the negative emotional states of depression, anxiety, and stress. DASS-21 has been translated into various languages, and findings conclude that it is psychometrically sound, with good reliability and validity. This study adapts and validates the psychometric properties of DASS-21 in the Tamil language. The instrument was administered to 511 Tamil speaking students ranging between 18 and 35 of age with an average age of 21 years. Results reaffirm that DASS-21 three-factor model shows excellent validity and reliability on the entire sample and groups based on age, gender, and residential area. They also find support in different hierarchical variance measurement models (metric, scalar, strict models). This study concludes that Tamil DASS-21 can be used as a universal measure to map symptoms and screen for depression, anxiety, and stress in any circumstances. Our findings provide roadmap for future research on the Tamil version of DASS-21 with specific focus on its clinical use. 2022 -
SarNet-1 -A Novel Architecture for Diagnosing Covid-19 Pneumonia and Pneumonia through Chest X-Ray Images
Coronavirus (COVID-19) is a contagious disease which begins with flu-like symptoms. COVID-19 arose in China and it rapidly spread throughout the globe, leading to a pandemic. For many, it was noticed that the infection started with fever, cough and finally leading to pneumonia. It is very necessary to differentiate between covid pneumonia and general pneumonia for appropriate treatment. Chest X-ray readings are useful for radiologists to identify the severity of infection. While computerising this mechanism, deep learning techniques are found to be very useful in extracting relevant features from medical images. This can help in differentiating pneumonia, COVID19 pneumonia and x-rays of a healthy person. Computer aided methods for identifying the presence of pneumonia can help health providers to a great extent for quick diagnosis. The X-rays gathered from freely available datasets are used in this work to propose an architecture for categorising X-rays into pneumonia and covid pneumonia. 2022 International Journal on Recent and Innovation Trends in Computing and Communication. All rights reserved. -
Transparency in governance: A comparative study of right-to-information legislation in India, Indonesia and Nigeria
This article discusses how the Right to Information Act in India, Nigeria and Indonesia can have an influence on ensuring transparency and accountability in the government system. The acts pertaining to the right to information in these three countries were implemented after long proceedings and deep struggles. The article looks at the legislation on the right to information in these three countries, the factors that motivated each of them to adopt the legislation, the implementation of the Right to Information Act, the challenges faced during the passage of the Act, the scope of coverage of the provisions of the Acts of all three countries, exceptions to the information disclosed to the public and problems faced during implementation from the government's side and the user's side. The article concludes with a summary of the arguments and key policy recommendations. The Author(s) 2022. -
Performance investigation of modular multilevel inverter topologies for photovoltaic applications with minimal switches
Introduction. In recent years, a growing variety of technical applications have necessitated the employment of more powerful equipment. Power electronics and megawatt power levels are required in far too many medium voltage motor drives and utility applications. It is challenging to incorporate a medium voltage grid with only one power semiconductor that has been extensively modified. As a result, in high power and medium voltage settings, multiple power converter structure has been offered as a solution. A multilevel converter has high power ratings while also allowing for the utilization of renewable energy sources. Renewable energy sources such as photovoltaic, wind, and fuel cells may be readily connected to a multilevel inverter topology for enhanced outcomes. The novelty of the proposed work consists of a novel modular inverter structure for solar applications that uses fewer switches. Purpose. The proposed architecture is to decrease the number of switches and Total Harmonic Distortions. There is no need for passive filters, and the proposed design enhances power quality by creating distortion-free sinusoidal output voltage as the level count grows while also lowering power losses. Methods. The proposed topology is implemented with MATLAB / Simulink, using gating pulses and various pulse width modulation methodologies. Moreover, the proposed model also has been validated and compared to the hardware system. Results. Total harmonic distortion, number of power switches, output voltage and number of DC sources are compared with conventional topologies. Practical value. The proposed topology has been very supportive for implementing photovoltaic based multilevel inverter, which is connected to large demand in grid. References 12, table 5, figures 23. E. Parimalasundar, N.M.G. Kumar, P. Geetha, K. Suresh. -
Are the determinants of foreign direct investment the same within the service sector? Evidence from bootstrap based bias corrected fixed effects model
Using sectoral as well as subsectoral foreign direct investments (FDI) data, we explore the determinants of FDI in services at both sectoral and sub-sector levels of 25 emerging economies for the period 19992016. We employ a bootstrap-based bias-corrected fixed effects model to analyze whether FDI's determinants vary within the service sector. Our results show that market size, market potential, natural resources endowments, and agglomeration effects are positively associated with the FDI in services and its subsectoral levels. The sectoral disaggregated analysis shows that the variables that attract FDI in services do not vary much from financial to nonfinancial services. This study suggests that there is no need for a separate theory for explaining FDI determinants in financial and nonfinancial services though some modifications are to be made. Before making modifications, we have to consider the salient features of service sector FDI, such as intangibility, inseparability, perishability, heterogeneity, and commercial presence. 2021 John Wiley & Sons Ltd. -
Teaching through urban sensorium: urban spatiality as a smart learning environment
This paper qualitatively analyses the implication of urban sensorium as a pedagogic mode in the teaching of Urban Studies. Underpinned by the frames of smart learning environments, the paper reiterates experiencing urban ontologies as spatial learning environments. By drawing from a range of transdisciplinary and experiential modes of learning, this paper maps how an undergraduate course on Bangalore city in India served learners to critically engage with and experience spatial urban ontologies both digitally, and in real-world experiences of learning, furthering learner autonomy and reflection. The methodological prisms of this paper are autoethnography and critical reflection. It is organised around enabling learners recognize the experiential, embodied urban spaces through the urban sensorium via real-life engagements with urban spaces, and creation of digital portfolios that map this learning. Findings from the learners knowledge of sensory learning, the citys intersectional aspects, and the students embodied and emplaced self in built environments and digital spaces are analysed via cognitive and affective-reflection levels; the course instructor's reflection is analysed via a process-reflection level. These reflections hold implications for the pedagogy of urban studies in undergraduate classrooms by foregrounding spatiality and urban sensorium as significant critical and affective pedagogic tools. The paper has also accommodated critical engagement with an external faculty member as a co-author, in order to manage any bias or researcher subjectivity in the design. 2022, The Author(s). -
A multi-preference integrated algorithm for deep learning based recommender framework
Nowadays, the online recommender systems based collaborative filtering methods are widely employed to model long term user preferences (LTUP). The deep learning methods, like recurrent neural networks (RNN) have the potential to model short-term user preferences (STUP). There is no dynamic integration of these two models in the existing recommender systems. Therefore, in this article, a multi-preference integrated algorithm (MPIA) for deep learning based recommender framework (DLRF) is proposed to perform the dynamic integration of these two models. Moreover, the MPIA addresses improper data and to improve the performance for creating recommendations. This algorithm is depending on an enhanced long short term memory (LSTM) with additional controllers to consider relative information. Here, experiments are carried out by Amazon benchmark datasets, then obtained outcomes are compared with other existing recommender systems. From the comparison, the experimental outcomes show that the proposed MPIA outperforms existing systems under performance metrics, like area under curve, F1-score. Consequently, the MPIA can be integrated with real time recommender systems. 2022 John Wiley & Sons, Ltd. -
A Meta-Analysis on the Determinants of Online Product Reviews with Moderating Effect of Product Type
The technological advances in digital space have provided a renewed impetus for business to expand their footprint across digital modes. The growth of the internet and the ease of its access to the masses has encouraged many businesses to go online. Online e-commerce platforms make it easy to search, locate and place orders. Technology-assisted supply chains and fast delivery mechanisms ensure that users don't have to go elsewhere to fulfill their needs. To earn loyalty and customer satisfaction, e-commerce platforms have evolved into a sophisticated recommender system. It has evolved from just an informational source to a participative mode where users can share their experiences about their purchases. Customer values other user experiences more than the information provided by the seller. The presence of many conflicting and contradicting reviews can make the task of making rational decisions difficult for many users. Many studies were performed to understand what constitutes a review helpful and came up with different or mixed outcomes. The present study reviews the factors that influence online customer reviews helpful. Meta-analysis was performed to reconcile the mixed findings of different factors of online review helpfulness. The meta-analysis found that with the moderating effect of product type, factors like review length, readability, rating, reputation, and expertise positively correlate with helpfulness. Further, the customer finds moderate reviews more helpful in terms of polarity. Meta-analysis has a mix of findings for the selected data points in the study. The mixed findings include product type (search, experience, or other) and helpfulness measurement criteria. 2022 Kavita Rawat and Sunita Kumar. This is an open access article licensed under the Creative Commons Attribution-NonCommercial 4.0 International License. -
Effect of Copper and Cobalt Metal Complex Redox Mediator Based Xanthan Gum Gel Electrolyte Materials on Performance of Dye Sensitized Solar Cells
In this study, we report the first application of (4-(tert-butyl) benzyl or 4-methyl benzyl)-substituted 2-(pyridin-2-yl)-1H-benzo[d]-imidazole coordinated copper and cobalt redox shuttles Cu [((tbb) pbi)2]+1/+2, Cu [(mbpbi)2]+1/+2, Co [((tbb) pbi)3]+2/+3 and Co [(mbpbi)3]+2/+3 based xanthan gum gel electrolytes (XGE-1, XGE-2, XGE-3 and XGE-4) in fabrication of Dye sensitized solar cells. Interestingly, XGE-1 and XGE-2 obtained higher efficiency of 4.08 and 3.04 % under 1sun illumination. Specifically, highly donor moiety 4-(tert-butyl)benzyl)-substituted (on N?H position) 2-(pyridin-2-yl)-1H-benzo[d]-imidazole ligands coordinated, Cu [((tbb) pbi)2]+1/+2 gel electrolyte achieved best performance due to its appropriate redox potential of 0.80 V versus Normal Hydrogen Electrode. This high performance also confirmed with the interfacial studies of the devices. As per the computational results, the copper redox mediators conquered lower reorganization energy and free energy about (0.11-0.20 & 0.180.27 eV) due to the effect of ligands structure. Overall, Cu [((tbb) pbi)2]+1/+2 act as redox shuttle for highly proficient DSSCs. 2022 Wiley-VCH GmbH. -
Architecture of FTO/n-CdS/p-SnSe1-xOx/Au Heterojunction Thin Film Diodes by Thermal Evaporation
In this report, FTO/n-CdS/p-SnSe1-xOx/Au heterojunction diodes were fabricated using a homemade precursor followed by dry milling with a facile thermal evaporation method under oxygen atmosphere (10? 2mbar) for the first time. The chemical purity (45.35:45.07:9.58 at.%) and microstructure of the deposited films and device were characterized by energy dispersive x-ray analysis, x-ray photoelectron spectroscopy, and scanning electron microscopy. The crystallographic parameters, a = 11.512 b = 4.163and c = 4.452 with orthorhombic crystal structure and monophase nature were analyzed by powder x-ray diffraction. Raman spectroscopy revealed the vibrational modes, and UVVis-NIR spectroscopy was used to study the direct nature of optical absorption with a band gap of 1.14eV. The currentvoltage (I-V) characteristics of the semiconductor diode were measured in room temperature (25C) and revealed rectifying properties and the cut-off voltage for the device, 0.57V. The obtained results highlight that the use of a p-SnSe1-xOx (SSO) layer as an interface between n-CdS/Au diodes exhibits excellent rectifying behavior and enhanced diode performance. Therefore, the p-SSO layer is a suitable material for heterojuction diodes and optoelectronic switches. Graphical Abstract: [Figure not available: see fulltext.]. 2022, The Minerals, Metals & Materials Society. -
P-energy of generalized Petersen graphs
For a given graph G, its P-energy is the sum of the absolute values of the eigenvalues of the P-matrix of G. In this article, we explore the P-energy of generalized Petersen graphs G(p; k) for various vertex partitions such as independent, domatic, total domatic and k-ply domatic partitions and partition containing a perfect matching in G(p; k). Further, we present a python program to obtain the P-energy of G(p; k) for the vertex partitions under consideration and examine the relation between them. 2022 The authors.