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Marine macrolides as an efficient source of FMS-like tyrosine kinase 3 inhibitors: A comprehensive approach of in silico virtual screening
Marine organisms are a definitive source of antibiotics and kinase inhibitors which provide cues for discovering novel drug leads. Marine macrolides are getting much attraction due to their enzyme inhibitory potential. The present study comprehensively dealt with the virtual screening and structure-based prediction of macrolide compounds against FMS-like tyrosine kinase 3 receptors (FLT3). The FLT3 was chosen as a biological target against the 990 marine macrolides. Before the virtual screening of macrolide compounds, validation of molecular docking was carried out by re-docking of co-crystallized Gilteritinib within the FLT3. Among the selected 990 candidates of marine macrolides, 311 were failed due to the generation of insufficient conformers. Amongst the successful compounds, 22 compounds were also failed to dock within the receptor, while the remaining 657 marine macrolide entities elicited successful docking. The HYBRID Chemguass4 Score ranged from -10.17 to -0.02. This vast difference in the HYBRID ChemGuass4 score is attributed to the difference in binding potential with the receptor's binding pocket. The top ten compounds were selected based on the HYBRID ChemGuass4 Score lower than -8.0 against FLT3. The pharmacokinetics and ADME properties revealed the drug likeliness of the macrolides. 2022 SAAB -
SR-Mine: Adaptive Transaction Compression Method for Frequent Itemsets Mining
Extraction of frequent itemsets is a key step in association rule mining. Frequent Pattern (FP) mining from a very large dataset is still a challenging research problem. The basic frequent itemset algorithms are Apriori and FP-growth. FP-growth uses Frequent Pattern Tree (FP-tree) to store the database information in a compressed form. A large number of research papers have been proposed as an improvement of the basic frequent itemset mining algorithms. Several researchers have proposed modifications to existing data structures as well as new data structures to improve the mining process. A new method, Size Reduced Mining (SR-Mine), is proposed to speed up the FP-tree creation. The proposed work is implemented with the basic FP-growth algorithm and with the other two recent algorithms based on FP-tree. The three modified algorithms have been tested with standard datasets and compared with the original algorithms. The proposed method can be applied with the frequent itemset mining algorithms which consider each transaction one by one to construct a data structure for mining. The experimental results show that the proposed method can improve the performance of the mining. 2021, King Fahd University of Petroleum & Minerals. -
Performance evaluation of artificial neural networks in sustainable modelling biodiesel synthesis
Biodiesel is a characteristic and inexhaustible homegrown fuel removed from creature fats or vegetable oil and liquor through a transesterification response. The exploration work means to assess the exhibition of biodiesel blend. In this paper, biodiesel was displayed and improved by utilizing a hereditary calculation and Artificial Neural Network (ANN). In AI, hereditary calculations and counterfeit neural organizations assume a significant part in displaying biodiesel blend. To upgrade an excellent arrangement hereditary calculation was created. The mix of ANN and Genetic Algorithm gives the ideal condition as the temperature of methanol molar proportion, impetus fixation. It tentatively decides the exhibition trademark like the Coefficient of determination and Absolute Average deviation (AAD). It predicts the Fatty Acid Methyl Ester (FAME) model productively than Response Surface Methodology (RSM). The exhibition examination is reenacted and hypothetical outcomes are recorded then it is contrasted with constant information to decide the exactness of ANN. 2022 Elsevier Ltd -
Synthetic Applications of Prins Cyclization in Natural Product Syntheses
The natural products having tetrahydropyran unit with multiple chiral centers serve as magnificent building blocks for various active pharmaceutical ingredients (APIs). Prins cyclization is one of the wonderful strategies to construct tetrahydropyran unit stereoselectively in asymmetric synthesis. In this account, we discuss our research efforts toward the synthesis of various natural products from the past two decades (20052020) by using Prins cyclization as a key step. Further, the synthetic utility of this reaction was investigated and well demonstrated on various molecules successfully. 2022 The Chemical Society of Japan & Wiley-VCH GmbH. -
Experimental Verification of Gain and Bandwidth Enhancement of Fractal Contoured Metamaterial Inspired Antenna
The performance of any antenna cannot be completely assessed purely on the basis of simulation results. All simulations are made by assuming an ideal environment where the fabrication tolerances and practical losses are not accounted for. Therefore, evidencing the performance experimentally becomes a crucial step. In this work, the experimental validation of a fractal contoured square microstrip antenna with four ring metamaterial structure, hereon referred to as optimized metamaterial inspired square fractal antenna has been presented. It is an extension to previously designed antenna and aims to experimentally verify the enhanced gain and bandwidth of this antenna. The design and simulation of the proposed antenna was accomplished by using Ansys HFSS v18.2. The end-to-end antenna spread area is 23 mm x 23 mm on a 46 mm x 28 mm x 1.6 mm FR4 substrate with ?r of 4.4. The simulated design was fabricated using Nvis 72 Prototyping Machine and measured in an anechoic chamber facility using vector network analyzer. The antenna resonates with the deepest S11 of-39.5 dB in a broad bandwidth of 2.53 GHz from 2.265 GHz to 4.79 GHz with experimental verification. The proposed antenna provides an enhanced gain of 8.81 dB at the most popularly used frequency of 2.5 GHz. The simulation and experimental results of resonance, gain and radiation pattern are found to agree maximally. The fractional bandwidth offered by this proposed antenna is 72.28%. The experimental validation confirms enhanced gain-bandwidth performance in a wide resonance band. Hence, this antenna is well recommended for wireless, energy harvesting rectenna and sub-6 GHz (2.5 GHz to 4.20 GHz) 5G applications. 2022, Advanced Electromagnetics. All rights reserved. -
Evaluating the performance of Cr-Soc-MOF Super-Adsorbents for CO2 capture from flue gas under humid condition through molecular simulation
One of the major criticisms for gas separation by utilizing Metal Organic Framework (MOF) porous material for all classes of adsorbents is their very poor performance under humidified gas streams. Very few MOFs show better CO2 separation from N2 mixture in the presence of moisture. Conversely, plenty of MOFs demonstrated good CO2 capture from dry gas streams. In order to explore the potential characteristics of gas separation under humid conditions by coordinatively unsaturated metal organic framework (CUS-MOF) with square octahedral (Soc) topology were exercised single component (CO2, N2) adsorption and co-adsorption (CO2/N2) in the presence of moisture at 298 K with pressure ranging from 0 to 10 bar. Herein, we investigated five exceptional Cr-Soc-MOFs similar to the experimentally established iso-structural topology by differing the polynuclear aromatic ring size and N-heteroatom to their pore wall. The specific interaction of guest molecules to the coordinatively unsaturated metal site (CUS), i.e., rigid ?3-oxygen-centered tri-nuclear metal carboxylate, of Cr-Soc-MOF-n series were identified with Density Functional Theory (DFT) calculations, this energy profile was used to derive specific force field. Further, Grand canonical Monte Carlo (GCMC) simulation was employed with DFT-derived force field to identify suitable CO2 capture for Cr-Soc-MOFs in the presence of moisture. Interestingly, the Cr-Soc-MOFs with larger pore volume were retained not only CO2 uptake in the range of 23 35 wt% but also selectivity about 20 50 range even up to 70% of RH. Importantly, we introduced a mathematical tool to theoretically analyze the dynamic co-adsorption in the form of breakthrough curve measurement from CO2/N2 simulated co-adsorption by mimicking the real flue gas condition, also working capacity (?N), Regenerability (R%) and Adsorbent Performance Indicator (API) of Cr-Soc-MOF-n series were investigated. The CO2 separation performances of Cr-Soc-MOF-n series suggested that the polynuclear aromatic ring to their pore wall withstand CO2 uptake in the presence of humidity rather than N-heteroatom decorated Cr-Soc-MOF due to its high pore volume and the accommodation of extra aromatic ring in their pore channels. 2022 Elsevier B.V. -
Agricultural credit and agricultural productivity across Indian states: An analysis
The study analyses the relationship between formal agricultural credit and agricultural productivity in India. Secondary data have been collected from various sources for the selected states of Andhra Pradesh, Assam, Bihar, Gujarat, Haryana, Himachal Pradesh, Karnataka, Kerala, Madhya Pradesh, Maharashtra, Punjab, Rajasthan, Odisha, Tamil Nadu, Uttar Pradesh and West Bengal for the time period 19901991 to 20172018. Fixed effect model is used to perform the state-level panel data analysis to establish the relationship between the agricultural credit and agricultural productivity. In addition to this, the study also focuses on analysing the effectiveness of Doubling of agricultural credit policy. The findings from the analysis show that direct agricultural credit and doubling of agricultural credit policy has a positive impact on productivity, whereas the indirect credit has a significant negative impact on productivity. In order to increase agricultural productivity, policies should focus on providing direct credit at a larger scale. 2021 John Wiley & Sons, Ltd. -
Pure red luminescence and concentration-dependent tunable emission color from europium-doped zinc sulfide nanoparticles
Nano-sized Eu3+-doped ZnS particles were prepared by chemical precipitation method using polyethylene glycol as capping agent. The structural and morphological studies of ZnS:Eu3+ nanoparticles were carried out using X-ray diffraction (XRD), transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FTIR), and scanning electron microscopy (SEM). XRD results show that ZnS:Eu3+ nanoparticles have a cubic structure for all Eu3+ concentrations. Dependence of doping concentration on the photoluminescence (PL) of ZnS:Eu3+ nanophosphor was studied for excitations at 395nm and 465nm. At 395-nm excitation, emission colors of ZnS:Eu3+ nanophosphor lie in blue, green, yellow, and red regions of chromaticity diagram for different doping concentrations. But for all doping concentrations we got red emission when the excitation wavelength was 465nm and the color purity was 92% for 0.03M doped sample. 2022, The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature. -
A New Economics Awaits Us
This article attempts to look into the concept of othering in the context of urban development. The major motivation for the initiation of this article came after reading Dipankar Guptas book review titled A New Sociology Awaits Us (EPW, 26 December 2020), which mainly concentrated on urban affairs. 2022 Economic and Political Weekly. All rights reserved. -
Complicated Grief during COVID-19: An International Perspective
Cultures across the globe have evolved time-tested rituals to honor those who die and offer solace and support to survivors with the goal of helping them to accept the reality of the death, cope with the feelings of loss, adjust to life without the deceased, and find ways to maintain a connection to the memory of the deceased. The COVID-19 pandemic has disrupted these rituals and brought significant changes to the way we mourn. Specifically, public health responses to COVID-19 such as social distancing or isolation, delays or cancellations of traditional religious and cultural rituals, and shifts from in-person to online ceremonies have disrupted rituals and thus made it more difficult to access support and complete the psychological tasks typically associated with bereavement. This paper conceptualizes the common bereavement tasks including emotion-focused coping, maintaining a connection to the deceased, disengagement and reframing death and loss, and problemfocused coping. It provides examples of how the COVID-19 pandemic has altered mourning rituals across several cultures and religions and contributed to prolonged grief disorder as defined by the ICD-11 that includes depressive symptoms and post-traumatic stress. Early evidence suggested that the suddenness of loss, the social isolation, and the lack of social support often associated with COVID-19-related death are salient risk factors for complicated grief. As a consequence, psychological assessments, grief counseling, and mental health support are needed by families of patients who died from COVID-19. These services must be essential components of any comprehensive public health response to the pandemic. 2022 Hogrefe Publishing. -
Study of Transport Characteristics using Impedance Spectroscopy and Memristor Property Analysis of Protonated Polyaniline-WO3 Nanocomposite
Polyaniline-WO3 nanocomposite was synthesized through in-situ chemical polymerization. The structural properties are studied by using XRD and FESEM characterization. The XRD results confirmed the presence of crystalline WO3 nanoparticles in the polymer nanocomposite structure. FESEM images confirmed the sheet-like structure with heterojunction of WO3 nanoparticles and polyaniline matrix. The transport properties of the synthesized nanocomposites are studied using impedance spectroscopy analysis. The complex impedance analysis conducted using the Nyquist plot and equivalent circuit model of the nanocomposites are simulated using ZSimpWin software. The major conduction mechanism in the material is found to be grain boundary effect and the grain boundary conduction parameters are calculated. The polyaniline-WO3 nanocomposite with WO3 doping concentration of 15% has exhibited better sensing characteristics towards the target VOC (Volatile Organic Compound) 3-Carene, a breath-based biomarker for malaria. The memristor sensor model of the polyaniline nanocomposite with 15% of WO3 is simulated using MATLAB-Simulink. The pinched hysteresis loop obtained confirmed the memristor properties of the material. 2022, Universiti Malaysia Perlis. All rights reserved. -
Stigma among COVID-19 patients in South India-A cross-sectional study
Background: COVID-19 has a significant biopsychosocial impact on the lives of people who are infected, with the stigma associated with the illness being one of the major issues. However, the level of stigma based on demographics, gender differences, hospital-based or home-based care is yet to be explored. Hence, this study aimed to infer the level of stigma between these groups in the urban district of south India. Materials and Methods: This cross-sectional study recruited 50 participants who were recently infected with COVID-19 and were receiving either hospital or home-based care. The stigma was assessed using a standardized questionnaire which has four domains. MannWhitney U test was conducted to analyze the data. Results: Median age is 54 years and the majority of the participants are male (74%). The mean score of enacted stigma subscale was 4.48, disclosure fear was 2.34, internalized stigma was 2.82, perceived externalized stigma was 7.32 and the total stigma mean score was 17. The perceived externalized stigma subscale was higher in males (7.57 5.96) when compared to females 6.62 5.53. Total stigma scores were higher for males 17.2 10.1 when compared to females 16.2 10.5. The total stigma score was more (17 10.3) among home isolated COVID patients as compared to hospitalized patients (16.9 10.2). Conclusion: Increased levels of stigma among COVID-19 patients have various important psychosocial implications. This study highlights the need for larger prospective cohort studies to further understand stigma in the context of COVID-19. 2022 by the Author(s). -
Computational simulation of surface tension and gravitation-induced convective flow of a nanoliquid with cross-diffusion: An optimization procedure
The control of heat transfer in the hydromagnetic semiconductor crystal involves Marangoni convection with buoyancy forces. In this study, the conventional thermo-solutal Marangoni mixed flow model is modified by incorporating the solutal buoyancy effects that are significant in the flow phenomenon. The heat and mass transfer (HMT) characteristics of the Marangoni convective flow of a Cu ? H2O nanofluid subjected to the assisting/resisting buoyancy forces and cross-diffusion are numerically studied. The homogeneous single-phase nanoliquid model is used in conjunction with experimental data of dynamic viscosity and thermal conductivity. The Dufour and Soret effects are considered. Governing equations are solved using the finite difference-based algorithm. The problem is analyzed in a unified way considering the cases of buoyancy-assisted flow and buoyancy-opposed flow. The response surface methodology (RSM) based on the face-centered composite design (CCD) is used to optimize the heat and mass transfer rates. A multivariate regression model is proposed and authenticated prior to optimization. Additionally, sensitivity analysis is performed using the full quadratic regression model. The increase in the temperature profile is more significant due to the radiative heat flux than the inclined magnetic field. Heat transfer has a high sensitivity to the appearance of thermal radiation, while mass transfer has a high sensitivity to the Soret effect. Simultaneous optimization of HMT rates is achieved with the high level of thermal radiation and low levels of the cross-diffusion aspects. 2022 -
Nanoencapsulation of Ru(p-cymene) Complex Bearing Ginger-based Natural Product into Liposomal Nanoformulation to Improve Its Cellular Uptake and Antiproliferative Activity
The organometallic compounds are prospective candidates in the row of developing metallochemotherapeutics with the aim of overcoming the limitations of platinum drugs. In order to explore the anticancer properties of organometallic compounds with the natural medicines, two Ru(II)-p-cymene complexes containing the natural products, viz., 6-gingerol (6G) and benzylated-6-gingerdione (B-6GD) have been synthesized and characterized well. The phenolic group of the Ru(6G) complex facilitates its higher cell-free antioxidant activity than its analogue complex. Also, the same complex shows higher cytotoxicity toward A549 lung and HeLa-S3 cervical cancer cells than the Ru(B-6GD) complex but lower cytotoxicity toward A2058 metastatic melanoma cancer cells. Both complexes are shown to easily accumulate in melanoma cancer cells, and their degree of cytotoxicity in the same cells is found to be positively correlated with cell uptake. The cytotoxicity of complexes arises from their intracellular activity, mainly due to the induction of singlet oxygen production in cancer cells. The subcellular fractionation study shows that mitochondria and ER-Golgi membranes might be their predominant targets. Also, the mechanistic investigation revealed that Ru(B-6GD) induces caspase-dependent non-apoptotic cell death whereas Ru(6G) can induce caspase-independent non-apoptotic cell death. Furthermore, both complexes are found to moderately alter the adhesion properties of cancer cells, which is beneficial for antimetastatic treatment. Despite the potential pharmacological activity, Ru(6G) is encapsulated into polymer-supported liposomes to reduce its toxicity and further improve its anticancer potency. The ?-conjugated yne-ene chain of polydiacetylene aids in the development of a stable nanoformulation, which achieved a slow release of the complex. Most importantly, the cancer cell uptake of the liposome-encapsulated Ru(6G) complex is 20 times enhanced and the total ROS formation in cancer cells is significantly increased compared to the non-encapsulated complex. However, the nanoformulation does not alter the antimetastatic potency of the encapsulated complex. 2022 American Chemical Society. All rights reserved. -
Corrosion Characterization of Friction Stir Weld Dissimilar Aluminium Alloy Joints
The course of contact mix welding is quick acquiring conspicuousness in aviation, marine and car industry because of its benefits as far as mechanical strength, effect and hardness characteristics. There is as yet a requirement for sure fire consideration from the exploration local area to erosion in grating mix welding zones, hence the work introduced here centres around the consumption portrayal of the grinding mix weld divergent aluminium composite. This study looks into friction stir welding under various parametric settings and shows how corrosion happens in a sodium chloride electrolytic media under potentio-dynamic conditions. The friction stir weld joints of dissimilar alloys aluminium are constructed using three sets of parameters. Straight cylinder, taper cylinder, and straight triangular tool profiles; tool rotational speeds of 800, 1000, and 1200 rpm; tool feed rates of 100, 120, and 140 mm/min; and tool offsets of 0.5, 0 mm, and-1.5 mm. The corrosion current (Icorr) reduces as tool rotating speed increases up to 1200 rpm, after which it slightly increases due to the creation of ridges all around the periphery of the friction stir weld area. 2022, Books and Journals Private Ltd.. All rights reserved. -
Modelling, Temperature Analysis, and Mechanical Properties of Friction Stir Welding of Al-Cu Joints with Hardened OHNS Steel Tools
Friction stir welding (FSW) is a nearly modern welding method with vital advantages over the conventional welding process, such as lower distortion, enhanced mechanical properties, and eco-friendly. In FSW, the joint characteristics mainly depend on heat development during the joining process due to its solid-state joining method. The basic principles of thermomechanical methods during FSW are unknown since it is a new metal joining method. In this investigation, the 2D and 3D models of the tools with different pin forms were designed using SOLIDWORKS. The ANSYS software was used to investigate the temperature distributions near the weld zones. The fixture was designed and made according to the machine conditions. The base plates used were AA6101 and C11000; the tool material used was the Hardened OHNS steel tool with square and circular pin form. The temperature values were measured in each trial while joining of Al-Cu base plates along the weld line. The results reveal that in the joint area, a trial with high temperature leads to high ultimate tensile strength (UTS) and Charpy impact strength (CIS). Made at tool rotation speed 1200 rpm and feed velocity 20 mm/min of Hardened OHNS steel tool with circular pin form. The obtained UTS value at joints was less than that of Al and Cu base plates. The microhardness value detected at the joint area was higher than the Al and Cu base plates, providing high strength, and irregularly dispersed. 2022, Books and Journals Private Ltd.. All rights reserved. -
Semilinear fractional elliptic equations with combined nonlinearities and measure data
This study focuses on semilinear fractional elliptic problems with concave-convex type nonlinearities and measures as data. Suitable iteration techniques and embedding results are employed to ensure the existence and multiplicity of solutions. 2022, The Author(s), under exclusive licence to Springer Nature Switzerland AG. -
A Cross-Sectional Study on Mental Health of School Students during the COVID-19 Pandemic in India
The broad objective of the present study is to assess the levels of anxiety and depression of school students during the COVID-19 lockdown phase and their association with students background, stress, concerns and social support. In this regard, the present study follows a novel two stage approach. In the first phase, an empirical survey was carried out, based on multivariate statistical analysis, wherein a group of 273 school students participated in the study voluntarily. In the second phase, a novel Picture Fuzzy FFA (PF-FFA) method was applied for understanding the dynamics of facilitating and prohibiting factors for three categories of focus groups (FG), formulated on the basis of attendance in online classes. Findings revealed a significant impact of anxiety and depression on mental health. Further, PF-FFA examinedthe impact of the driving forces that steered children to attend class as contrasted to the the impact of the restricting forces. 2022 by the authors. -
Trigonometric Cosine, Square, Sawtooth and Triangular Waveforms of Internal Heating Modulations for Three-Component Convection in a Couple Stress Liquid: A Detailed Analysis
In this paper, the main focus is to study the effect of internal heating modulations of sinusoidal and non-sinusoidal waveforms on a three-component convection in a couple stress liquid. This three-component layer is heated from below and salted with two solutes at the bottom. In order to facilitate a solution to the problem, linear case is formulated using the Venezian approach for modulations while the non-linear case is modeled using 7-mode generalized Lorenz equations. With the aim of quantifying the heat and mass transfer, average Nusselt and average Sherwood numbers are computed. The investigation reveals that, internal heating modulations show a stabilizing or destabilizing trend that precisely depends on the modulated frequency and appropriate waveforms. The effect of heat source and sink is recorded on different convection processes. The effect of the pertinent parameters and waveforms on the stability of the system and on heat and mass transfer have been captured via graphs. The results confirm that the heat and mass transfer escalates to its maximum due to the square waveform. In this research paper, six problems involving three types of convection in two different liquids are solved as limiting cases of the problem. 2022, The Author(s), under exclusive licence to Springer Nature India Private Limited. -
Breast Cancer Detection in Mammography Images Using Deep Convolutional Neural Networks and Fuzzy Ensemble Modeling Techniques
Breast cancer has evolved as the most lethal illness impacting women all over the globe. Breast cancer may be detected early, which reduces mortality and increases the chances of a full recovery. Researchers all around the world are working on breast cancer screening tools based on medical imaging. Deep learning approaches have piqued the attention of many in the medical imaging field due to their rapid growth. In this research, mammography pictures were utilized to detect breast cancer. We have used four mammography imaging datasets with a similar number of 1145 normal, benign, and malignant pictures using various deep CNN (Inception V4, ResNet-164, VGG-11, and DenseNet121) models as base classifiers. The proposed technique employs an ensemble approach in which the Gompertz function is used to build fuzzy rankings of the base classification techniques, and the decision scores of the base models are adaptively combined to construct final predictions. The proposed fuzzy ensemble techniques outperform each individual transfer learning methodology as well as multiple advanced ensemble strategies (Weighted Average, Sugeno Integral) with reference to prediction and accuracy. The suggested Inception V4 ensemble model with fuzzy rank based Gompertz function has a 99.32% accuracy rate. We believe that the suggested approach will be of tremendous value to healthcare practitioners in identifying breast cancer patients early on, perhaps leading to an immediate diagnosis. 2022 by the authors.