Ultrahigh Power Factors in Ultrawide-Band-Gap GaB3N4and AlB3N4for High-Temperature Thermoelectric Applications
Boltzmann transport equation; density functional theory; first-principles calculations; phonon scattering; thermoelectric properties
With recent thermoelectric studies concentrating too much on low- and mid-temperature applications, an interesting question is, "are there any materials suitable for high-temperature thermoelectric operations?"To answer this, we have demonstrated in this work the viability of the ternary ultrawide-band-gap materials GaB3N4 and AlB3N4 for high-temperature thermoelectric applications using the first-principles calculation method. Our accurate transport calculations, considering both elastic and inelastic scattering mechanisms, reveal the ultrahigh power factors as high as 1821 ?W m-1 K-2 in GaB3N4 and 1876 ?W m-1 K-2 in AlB3N4 at 2000 K. The power factors are calculated from the Seebeck coefficients and electrical conductivities for both electron and hole carrier concentrations between 1018 and 1021 cm-3. For the figure-of-merit (ZT) calculation, the obtained power factors along with the electronic thermal conductivities determined from the definite Lorenz numbers and the lattice thermal conductivities from the phonon vibrations were used. The calculated ZT values seem to be appreciable for high-temperature applications considering the materials' stability factor and the temperature range within the optimum electron carrier concentration of 1021 cm-3. Although the lattice thermal conductivities are higher, which decrease the values of ZT, considering the ultrahigh power factors instead of the ZT factor could be the right choice for high-temperature thermoelectric applications.
Panneerselvam I.R.; Devi Kalathiparambil Rajendra Pai S.; Baldo C.; Rangaswamy N.; Sahasranaman M.
ACS Applied Electronic Materials, Vol-3, No. 1, pp. 219-229.
https://doi.org/10.1021/acsaelm.0c00777 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85099082010&doi=10.1021%2facsaelm.0c00777&partnerID=40&md5=e3ec956a8b636e786e4a697655cf05bb
Panneerselvam I.R., Young Scientist Training Program Fellow, Asia Pacific Center for Theoretical Physics, POSTECH Campus, Pohang, 37673, South Korea; Devi Kalathiparambil Rajendra Pai S., Department of Chemistry, CHRIST, Deemed to Be University, Bangalore, Karnataka, 560029, India; Baldo C., Young Scientist Training Program Fellow, Asia Pacific Center for Theoretical Physics, POSTECH Campus, Pohang, 37673, South Korea, Department of Physics, Mapua University, Intramuros, Manila, 1002, Philippines; Rangaswamy N., Division of Physics, School of Advanced Sciences, Vellore Institute of Technology (VIT), Chennai Campus, Chennai, 600127, India; Sahasranaman M., Chemistry Division, School of Advanced Sciences, Vellore Institute of Technology (VIT), Chennai Campus, Chennai, 600127, India
Effective and Efficient Video Compression by the Deep Learning Techniques
Convolutional neural networks (CNN); generative adversarial network (GAN); K-nearest neighbours (KNN); long short-term memory (LSTM); singular value decomposition (SVD); stochastic gradient descent (SGD)
Deep learning has reached many successes in Video Processing. Video has become a growing important part of our daily digital interactions. The advancement of better resolution content and the large volume offers serious challenges to the goal of receiving, distributing, compressing and revealing highquality video content. In this paper we propose a novel Effective and Efficient video compression by the Deep Learning framework based on the flask, which creatively combines the Deep Learning Techniques on Convolutional Neural Networks (CNN) and Generative Adversarial Networks (GAN). The video compression method involves the layers are divided into different groups for data processing, using CNN to remove the duplicate frames, repeating the single image instead of the duplicate images by recognizing and detecting minute changes using GAN and recorded with Long Short-Term Memory (LSTM). Instead of the complete image, the small changes generated using GAN are substituted, which helps with frame-level compression. Pixel wise comparison is performed using K-nearest Neighbours (KNN) over the frame, clustered with K-means and Singular Value Decomposition (SVD) is applied for every frame in the video for all three colour channels [Red, Green, Blue] to decrease the dimension of the utility matrix [R, G, B] by extracting its latent factors. Video frames are packed with parameters with the aid of a codec and converted to video format and the results are compared with the original video. Repeated experiments on several videos with different sizes, duration, Frames per second (FPS), and quality results demonstrated a significant resampling rate. On normal, the outcome delivered had around a 10% deviation in quality and over half in size when contrasted, and the original video. 2023 CRL Publishing. All rights reserved.
Panneerselvam K.; Mahesh K.; Josephine V.L.H.; Kumar A.R.
Computer Systems Science and Engineering, Vol-45, No. 2, pp. 1047-1061.
All Open Access; Hybrid Gold Open Access
https://doi.org/10.32604/csse.2023.030513 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85143842997&doi=10.32604%2fcsse.2023.030513&partnerID=40&md5=a9155ad90a386ff34f9b4621ddea5d16
Panneerselvam K., Department of Computer Applications, Alagappa University, Karaikudi, India, Department of Computer Science and Engineering, Lovely professional University, Punjab, Phagwara, India; Mahesh K., Department of Computer Applications, Alagappa University, Karaikudi, India; Josephine V.L.H., School of Business and Management, Christ University, Karnataka, Bengaluru, India; Kumar A.R., Department of Computer Science and Engineering, Lovely professional University, Punjab, Phagwara, India
Improving the Security of Video Embedding Using the CFP-SPE Method
With the amount of data being transferred on a daily basis, it is becoming increasingly dangerous to save data on the Internet in the face of intruders or hackers. This study paper is one of the most effective ways to transmit information in a secure and confidential manner. The authors previously disclosed a way for embedding a secret video inside a cover video in their prior work. The writers have implemented a number of techniques to incorporate the secret video. The current work improves on the existing approach by including encryption and decryption concepts into the video embedding process. The secret data for either a large or little amount of information is put on the cover video utilising the embedding technique. Our proposed method combines compression, encryption, decryption, and secret information embedding to provide a more secure data transfer. 2022 Karthick Panneerselvam et al.
Panneerselvam K.; Rajalakshmi K.; Helen Josephine V.L.; Rajan D.; Visalatchi L.; Mahesh K.; Tesfaye M.
Journal of Engineering (United Kingdom), Vol-2022
Panneerselvam K., Department of Computer Applications, Alagappa University, Karaikudi, India; Rajalakshmi K., Department of Computer Science, Montfort College, Bengaluru, India; Helen Josephine V.L., Business Analytics, School of Business Management, Christ University, Bengaluru, India; Rajan D., Department of Mca, Cmr Institute of Technology, Bengaluru, India; Visalatchi L., Department of It, Dr. Umayal Ramanathan College for Women, Karaikudi, India; Mahesh K., Department of Computer Applications, Alagappa University, Karaikudi, India; Tesfaye M., Addis Ababa Science and Technology University, Addis Ababa, Ethiopia
Robotics: challenges and opportunities in healthcare
health studies; health system; healthcare; IoT; medical; medical device; Robotics
Today, healthcare services and systems are becoming very complex and include a large number of entities characterized by shared, distributed and heterogeneous devices, sensors, and information and communication technologies. Various artificial intelligence techniques have been implemented in various sectors like smart cities, energy, IT sectors, banking, agriculture, retails, and many more, but it has been always challenging to demonstrate this technique effectively in healthcare sector due to its sophisticated procedure and its handling. Data analytics research on healthcare data has grown significantly over the past 10-12 years, and the execution of data analytics algorithms and systems in healthcare has been progressing more quickly. The data analytics service section has gained considerable attention with the development of technology, especially artificial intelligence robots, in the healthcare sector. Robots can help people with cognitive, sensory, and motor disabilities, help the sick or injured, support caregivers, and assist the clinical workforce. The purpose of this study is to provide historical evolution of robotics in healthcare with an overview of the influence of robots in healthcare like clinical support, patient transfer in hospitals, to handle heavy surgical instruments, to transport medical waste, for drug delivery, patient management etc. Furthermore, this chapter also covered the challenges and opportunities in healthcare and also offers a comprehensive aspect at how robots are incorporate in various healthcare applications. 2025 Elsevier Inc. All rights reserved.
Data Science in the Medical Field, pp. 361-367.
Pant R., Department of Mechanical Enginnering, Uttaranchal University, Uttarakhand, Dehradun, India; Joshi K., Department of Computer Science Enginnering, Uttaranchal University, Uttarakhand, Dehradun, India; Mahajan S., Postdoc (Norway), Christ (Deemed to be University), Delhi-NCR, India
Youth and Media Literacy in the Age of Social Media
Media literacy; News literacy; Youth development; Youth education
Living in the age of information means information is all pervasive, uncensored, unreliable, and with the potential to influence. The unfettered access to information and communication through social media is a double-edged sword in the hands of youth. The impact of this was explored from sociocultural and mental health perspectives. Specifically, the role of media literacy in combating the challenges posed by usage of social media was explored in this chapter. Various theories, frameworks, models, and components of media literacy were analysed. Impact of the various media literacy interventions on the youth, case studies of specific information literacy programs across regions, and other relevant critiques were reviewed and consolidated. Further to this, recommendations have been presented on creating robust in-school, and outside-school media literacy programs for the youth. The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd. 2023.
Handbook of Youth Development: Policies and Perspectives from India and Beyond, pp. 255-268.
Pant S., Via News Didi, Jalandhar, India; Nataraj B.M., Department of Psychology, CHRIST (Deemed to be University), Bengaluru, India; Reddy K.J., Department of Psychology, CHRIST (Deemed to be University), Bengaluru, India
A MULTI-OBJECTIVE HUNTER-PREY OPTIMIZATION FOR OPTIMAL INTEGRATION OF CAPACITOR BANKS AND PHOTOVOLTAIC DISTRIBUTION GENERATION UNITS IN RADIAL DISTRIBUTION SYSTEMS
Active power loss reduction; Capacitor bank placement; Distribution Generation; Hunter-Prey Optimization; PV-DG integration; Voltage stability
This article put forward the determination of the optimal siting and sizing of capacitor banks and PV-DG (Photo-Voltaic Distribution Generation) units in a radial distribution system. A modern population-based optimization algorithm, Hunter-Prey Optimization (HPO), is applied to determine the optimal capacitor bank and PV-DG placement. This algorithm, HPO, got its motivation from the trapping behaviour of the carnivore (predator/hunter) like lions and wolves towards their target animal like deer. The typical IEEE-33 & 69 test bus systems are scrutinized for validating the effectiveness of the suggested algorithm using MATLAB software R2021b version. The acquired results are collated with the existing heuristic algorithms for the active power loss criterion. The nominal or base values for system losses and voltage profile were considered for the comparison, with the results from HPO. The HPO application has an efficient performance in figuring out the most favourable location and capacity of the capacitor banks and PV DGs compared with the other techniques. 2023 by authors and Galileo Institute of Technology and Education of the Amazon (ITEGAM).
Journal of Engineering and Technology for Industrial Applications, Vol-9, No. 43, pp. 42-53.
Galileo Institute of Technology and Education of the Amazon (ITEGAM)
https://doi.org/10.5935/jetia.v9i43.907 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85175615136&doi=10.5935%2fjetia.v9i43.907&partnerID=40&md5=d0645f02d70d256fda5ed31e54b80f09
Pappu S.L., Electrical and Electronics Engineering Department, Christ University, Kengeri campus, Bangalore, India; Janamala V., Dept. of Electrical and Electronics Engineering, Christ University, Kengeri Campus, Bangalore, India
HunterPrey Optimization Algorithm for Optimal Allocation of PV, DSTATCOM, and EVCS in Radial Distribution Systems
intelligent algorithm; optimal allocation; radial distribution systems; voltage stability
This research article instigates a seminal approach for optimizing reactive power in renewable energy sources (RES) and electric vehicles (EVs) coalescing distribution systems, using the innovative HunterPrey Optimization (HPO) algorithm in conjunction with DSTATCOM as a reactive power compensator. The proposed methodology aims to minimize losses, enhance voltage stability, and improve overall system performance by simultaneously optimizing reactive power flows in photovoltaic RES (PV_DG), EV charging stations (EVCS), and DSTATCOMs within the distribution system. Simulations carried on IEEE-33, IEEE-69, and IEEE-118 test bus systems in MATLAB environment demonstrate that the HPO-based approach achieves a 91.47% and 96.61% reduction in real power losses and an improvement in voltage profile with a minimum voltage value of 0.991 and 0.994 p.u. (respectively for IEEE-33 and 69 bus systems), compared to traditional algorithms. These results highlight the lofty performance of the HPO method, effectively addressing the challenges posed by the integration of RES and EVs along with DSTATCOM. 2024 John Wiley & Sons Ltd.
Advanced Control for Applications: Engineering and Industrial Systems, Vol-6, No. 4
https://doi.org/10.1002/adc2.231 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85206210803&doi=10.1002%2fadc2.231&partnerID=40&md5=9e65f59124d79bd01b44887e69545f37
Pappu S.L., Department of Electrical and Electronics Engineering, School of Engineering and Technology, Christ (Deemed to Be University), Bangalore, India; Janamala V., Department of Electrical and Electronics Engineering, School of Engineering and Technology, Christ (Deemed to Be University), Bangalore, India; Veerendra A.S., Department of Electrical and Electronics Engineering, Manipal Institute of Technology, Manipal Academy of Higher Education, Manipal, India
A Systemic Review on Omicron Variant of SARS-CoV-2
Entry mechanism; Omicron; SARS-CoV-2 Variant
As the new strains spread around the world, scientists have been trying to learn more about the different strains, especially Omicron, and how SARS-CoV2 acts in general. Studying historical trends of virus spread and the structure of the virus and its strains, as well as all the mechanisms it needs to survive, can help identify the symptoms and diagnose and treat the disease. The research has shown that the new strains, including Omicron, have a higher rate of mutation and transmissibility. Additionally, due to the rapid spread of the virus, there has not been a significant amount of time to understand the severity of the infection. To better understand the novel variants, a detailed analysis of the basic pathophysiology of the virus is needed. This includes transcriptome analysis for the recombination index to identify variation in the strand. This aided in the diagnostic process, and therapeutics for mutants of the virus could be treated. The Omicron strain is particularly threatening due to its rapid transmission rate and its property of immune evasion, which can make it less vulnerable to vaccination. 2023 Biomedical & Pharmacology Journal.
Biomedical and Pharmacology Journal, Vol-16, No. 2, pp. 661-671.
https://doi.org/10.13005/bpj/2648 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85165652720&doi=10.13005%2fbpj%2f2648&partnerID=40&md5=e82815685760ffcd14f527573ea0675a
Pappuswamy M., Department of Life Sciences, CHRIST (Deemed to Be University), Karnataka, Bangalore, India; Chaudhary A., Department of Life Sciences, CHRIST (Deemed to Be University), Karnataka, Bangalore, India; Shitut A., Department of Life Sciences, CHRIST (Deemed to Be University), Karnataka, Bangalore, India
Cytogenetic Consequences Of Food Industry Workers Occupationally Exposed To Cooking Oil Fumes (Cofs)
Comet; Cooking Oil Fumes; Cytogenetic Changes; DNA; Tobacco user
Background: Cooking oil fumes (COFs) with smoking habits is a substantial risk that aggravates genetic modifications. The current study was to estimate the biological markers of genetic toxicity counting Micronucleus changes (MN), Chromosome Aberrations (CA) and DNA modifications among COFs exposures and control subjects inherent from South India. Materials and Methods: Present analysis comprised 212 COFs with tobacco users and equivalent number of control subjects. Results: High frequency of CA (Chromatid type: and chromosome type) were identified in group II experimental subjects also high amount of MN and DNA damage frequency were significantly (p < 0.05) in both subjects (experimental smokers and non-smokers). Present analysis was observed absence of consciousnessamong the COFs exposures about the destructive level of health effects of tobacco habits in working environment. Conclusion: COFs exposed workers with tobacco induce the significant alteration in chromosomal level. Furthermore, a high level of rate of genetic diseases (spontaneous abortion) were identified in the experimental subjects. This finding will be helpful for preventive measures of COFs exposed workers and supportive for further molecular analysis 2021,Asian Pacific Journal of Cancer Prevention. All Rights Reserved.
Pappuswamy M.; Meyyazhagan A.; Balasubramanian B.; Bhotla H.K.; Pushparaj K.; Eswaran M.; Arumugam V.A.; Periyaswamy T.; Chaudhary A.; Rajesh N.; Sundaram R.; Dhandapani K.
Asian Pacific Journal of Cancer Prevention, Vol-22, No. 11, pp. 3591-3599.
Asian Pacific Organization for Cancer Prevention
All Open Access; Gold Open Access; Green Open Access
Pappuswamy M., Department of Life Sciences, CHRIST (Deemed to be University), Bangalore, Karnataka, India; Meyyazhagan A., Department of Life Sciences, CHRIST (Deemed to be University), Bangalore, Karnataka, India; Balasubramanian B., Department of Food Science and Biotechnology, College of Life Science, Sejong University, Seoul, 05006, South Korea; Bhotla H.K., School of Engineering, Shanghai Jiao Tong University, Shanghai, 200241, China; Pushparaj K., Department of Zoology, School of Bioscience, Avinashilingam Institute for Home Science and Higher Education for Women, Coimbatore, 641 043, Tamil Nadu, India; Eswaran M., Computational Biology Laboratory, Department of Bioinformatics, Bharathiar University, Coimbatore, 641046, Tamil Nadu, India; Arumugam V.A., Department of Human Genetics and Molecular Biology, Bharathiar University, Coimbatore, 641046, Tamil Nadu, India; Periyaswamy T., Nehru Arts & Science College (Affiliated to Bharathiar University), Coimbatore, Tamilnadu, India; Chaudhary A., Department of Life Sciences, CHRIST (Deemed to be University), Bangalore, Karnataka, India; Rajesh N., Department of Life Sciences, CHRIST (Deemed to be University), Bangalore, Karnataka, India; Sundaram R., Bharathiar University, Coimbatore, Tamilnadu, India; Dhandapani K., School of Engineering, Shanghai Jiao Tong University, Shanghai, 200241, China
Carcinogens in Food: Evaluating the Presence of Cadmium, Lead, in Poultry Meat in South India
Cadmium and Zinc; Lead; Poultry chicken; toxic effects
Objective: Local chickens were spontaneously sampled and slaughtered in the central markets of Coimbatore, Erode, and Namakkal districts, South India. Materials and Methods: Wet digestion was used to extract lead (Pb), cadmium (Cd), and zinc (Zn) in their blood and selected different organs (intestine, breast, liver, and gizzard), and their concentrations were measured using an atomic absorption spectrophotometer. Results: Apart from the blood of chickens from Coimbatore and Namakkal, where Pb was not found, the concentrations of Pb in the blood and organs of chickens from the three towns ranged from 1.8 to 8.33 mg/kg, exceeding the maximum tolerance thresholds (0.1 mg/kg) in internal organs of poultry birds. Except for the intestine of chickens from the three areas, Cd was only found in the heart, blood, and gizzard of Erode chickens, as well as the liver and gizzard of Namakkal chickens, in concentrations ranging from 0.13 to 0.58. According to threshold level, the upper limit met the maximum limits (0.5 mg/kg). Zn was found in all sections of chickens from the three selected districts, with concentrations ranging from 4.96 to 174.17 mg/kg. Conclusion: Its concentrations were within the permissible limits (10-50 mg/kg) in some areas of certain chickens, but it surpassed the permissible limit in the liver of chicken from Coimbatore. Any organs and blood from local chickens sold in Coimbatore, Erode, and Namakkal areas can be hazardous to ones health. This work is licensed under a Creative Commons Attribution-Non Commercial 4.0 International License
Pappuswamy M.; Meyyazhagan A.; Balasubramanian B.; Bhotla H.K.; Pushparaj K.; Eswaran M.; Arumugam V.A.; Periyaswamy T.; Dhandapani K.
Asian Pacific Journal of Cancer Prevention, Vol-22, No. 11, pp. 3507-3511.
Pappuswamy M., Departmen of Life Sciences, CHRIST (Deemed to be University), Bangalore, Karnataka, India; Meyyazhagan A., Departmen of Life Sciences, CHRIST (Deemed to be University), Bangalore, Karnataka, India; Balasubramanian B., Department of Food Science and Biotechnology, College of Life Science, Sejong University, Seoul, 05006, South Korea; Bhotla H.K., Bharathiar University, Coimbatore, Tamil Nadu, India; Pushparaj K., Department of Zoology, School of Bioscience, Avinashilingam Institute for Home Sciences and Higher Education for Women, Coimbatore, Tamil Nadu, India; Eswaran M., Computational Biology Laboratory, Department of Bioinformatics, Bharathiar University, Coimbatore, 641046, Tamil Nadu, India; Arumugam V.A., Department of Human Genetics and Molecular Biology, Bharathiar University, Coimbatore, Tamil Nadu, India; Periyaswamy T., Nehru Arts & Science College (Affiliated to Bharathiar University), Coimbatore, Tamilnadu, India; Dhandapani K., School of Engineering, Shanghai Jiao Tong University, Shanghai, 200241, China
Exosome mediated cell signal toward breast cancer metastasis: A comprehensive review
Apoptosis; Breast cancer; Cell cargo; Cell signaling; Exosome; miRNA (micro-RNA) mediation
Breast cancer (BC) is among the most frequent cancer and is, more challenging to treat due to its heterogeneity and metastatic ability. Among extracellular vesicles, exosomes are quite significant for diagnosis and prognosis, given their pleiotropy and drug-carrying abilities. Studying their functions, morphology, biogenesis, and involvement in important pathways can help us understand their role in BC proliferation. A detailed review of their roles in different stages of BC as metastatic disease, such as proliferation, intravasation, epithelial to mesenchymal transition, extravasation, immune evasion, and metastatic growth, can help us understand how to target therapy as well as diagnosis. In the metastatic process, exosome involvement can also be tied to the seed and soil hypothesis, allowing us to understand the direction of progression. From their isolation to the study of their contents in relevance to BC in the process of detection, we have therapeutic applications and can make a significant contribution to the field of oncology. Hence, the present review focuses on this exosome-mediated cell signaling molecule and its importance in BC progression and development. 2022 Anushka and Pappuswamy, et al.
Journal of Applied Biology and Biotechnology, Vol-10, No. 6, pp. 12-21.
https://doi.org/10.7324/JABB.2022.100602 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85138506887&doi=10.7324%2fJABB.2022.100602&partnerID=40&md5=fa1912c90cba431ffeafbfe3a8ed4c61
Pappuswamy M., Department of Life Sciences, CHRIST University, Karnataka, Bangalore, India; Shitut A., Department of Life Sciences, CHRIST University, Karnataka, Bangalore, India
Structure of molecule, density gradient, orbital locator and reactivity of 5,6-dichloro-1-cyclopentyl-2-(methylsulfinyl)-1H-benzimidazole- potent inhibitor of map kinase
The present work consists of theoretical studies with the DFT technique on the benzo[d]imidazole derivative, 5,6-Dichloro-1-cyclopentyl-2-(methylsulfinyl)-1H-benzimidazole, and its biological evaluation in silico. The molecule is subjected to geometry optimisation and further DFT studies in gas and solvent phases. Upon solvation with polar solvents, gradual variation in properties result. Topological analyses are performed using Multiwfn software (ELF, LOL, RDG and charge transfer) to illustrate the electron density distribution, interactions, and excitation within the title molecule. ADMETLab 2.0, PreADMET, and SwissADME online tools compute the ADMET profile. Select MAP-kinase target proteins are docked against the title molecule using AutoDock Tools and PyMOL. Discovery Studio Visualizer software is run for visualisation and result analysis of the docked ligand-protein complex. 2023 Elsevier B.V.
Parakkal S.C.; Datta R.; Muthu S.; Al-Saadi A.A.
Journal of Molecular Structure, Vol-1289
https://doi.org/10.1016/j.molstruc.2023.135794 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85160808229&doi=10.1016%2fj.molstruc.2023.135794&partnerID=40&md5=ac6bdabddb799409afff9c2ab88ace76
Parakkal S.C., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Bengaluru, 560029, India; Datta R., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Bengaluru, 560029, India; Muthu S., Department of Physics, Arignar Anna Government Arts College, Tamil Nadu, Cheyyar, 604407, India; Al-Saadi A.A., Department of Chemistry, King Fahd University of Petroleum & Minerals, Dhahran, 3126, Saudi Arabia
Solvent-solute interaction, thermodynamic behaviour, structural, chemical and anti-cancer biological properties of 3(2H)-furanone derivatives
ADME; Breast cancer; DFT; Docking; Topology
In this work, the structures, reactivities, and electronic and biological properties of the 3(2H)-furanone derivatives, 2-hydroxy-2,5-diphenyl-4-(phenylamino)furan-3(2H)-one (HDPF), 2-methoxy-2,4,5-triphenylfuran-3(2H)-one (MTPF), 3-oxo-2,4,5-triphenyl-2,3-dihydrofuran-2-yl acetate (OTDF), and 2-chloro-2,4,5-triphenylfuran-3(2H)-one (CTPF), are explored via theoretical investigations using DFT (Density Functional Theory) techniques as the main tools for the study. The DFT studies include geometry optimisation, FMO (Frontier Molecular Orbital) analysis, theoretical UV studies, molecular electrostatic potential (MEP) investigations, non-linear optical (NLO) analyses, and the evaluation of thermodynamic parameters. Multiwfn 3.8 software is utilised to conduct the topological analyses. The ADME (Absorption, Distribution, Metabolism, Excretion) profiles are produced with the SwissADME online tool. The target proteins, MCL-1 (Myeloid cell leukemia-1), BCL-2 (B-cell lymphoma-2), and myeloblastin, are docked with the title molecules using AutoDock 1.5.6. 2023 Elsevier B.V.
Parakkal S.C.; Datta R.; Muthu S.; Alharbi N.S.; Abbas G.
https://doi.org/10.1016/j.molliq.2023.123185 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85172867601&doi=10.1016%2fj.molliq.2023.123185&partnerID=40&md5=d32808eb712348b6f570e1e2d7f07003
Parakkal S.C., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Bengaluru, 560029, India; Datta R., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Bengaluru, 560029, India; Muthu S., Department of Physics, Arignar Anna Govt. Arts College, Tamil Nadu, Cheyyar, 604407, India; Alharbi N.S., Department of Botany and Microbiology, College of Science, King Saud University, P.O Box 2455, Riyadh, 11451, Saudi Arabia; Abbas G., Institute of Inorganic Chemistry, Karlsruhe Institute of Technology, Engesserstr 15, Karlsruhe, 76131, Germany
Computational investigation into structural, topological, electronic properties, and biological evaluation of spiro[1H-indole-3,2?-3H-1,3-benzothiazole]-2-one
The current work comprises theoretical studies on spiro[1H-indole-3,2?-3H-1,3-benzothiazole]-2-one employing density functional theory (DFT). The optimized structure and molecular geometry of the title compound were calculated. Topological studies were performed using Multiwfn 3.8, these include ELF, LOL and RDG studies to identify the main bonding regions and weak interactions in the molecule. Solvation effects were studied by taking different green solvents, using IEFPCM model. Solvation effects were investigated for electronic properties (HOMO-LUMO and UV), MEP, and NLO properties and some variation is observed in the behaviour of the title compound in gas and solvent phases. Natural bond orbital (NBO) calculations are performed to study the inter- and intra-molecular charge transfer and stability. Pharmacological evaluation comprising of drug-likeness, ADME, environmental toxicity properties using online tools such as SwissADME, Pre-ADMET, and GUSAR, to determine whether the molecule can be a potential drug candidate is performed. Finally, molecular docking against anti-melanoma targets whose Ramachandran plots have been depicted to determine the stability of the target proteins, with PyMOL, AutoDock Suite and Discovery Studio Visualizer, is carried out. 2022 Elsevier B.V.
Parakkal S.C.; Datta R.; Muthu S.; Irfan A.; Jeelani A.
https://doi.org/10.1016/j.molliq.2022.119234 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85129687521&doi=10.1016%2fj.molliq.2022.119234&partnerID=40&md5=c90074cdd825809fa1918c5be6932891
Parakkal S.C., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Bengaluru, 560029, India; Datta R., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Bengaluru, 560029, India; Muthu S., Department of Physics, Arignar Anna Govt. Arts College, Tamil Nadu, Cheyyar, 604407, India; Irfan A., Department of Chemistry, College of Science, King Khalid University, P.O. Box 9004, Abha, 61413, Saudi Arabia; Jeelani A., Department of Physics, Arignar Anna Govt. Arts College, Tamil Nadu, Cheyyar, 604407, India
Spirocyclic isatin-derivative analogues: Solvation, structural, electronic, topological, reactivity properties, and anti-leukaemic biological evaluation
The present work investigates, via computational methods, three spirocyclic isatin derivatives with ?-methylene-?-butyrolactone cores, whose synthesis, experimental data and structural-activity relationships have been reported, to compare their properties and biological action. DFT (Density Functional Theory) studies, including geometry optimisation, FMO Analysis, theoretical UV spectral analysis, NBO and NLO studies, are performed using Gaussian 09 W with a standard basis set. The IEFPCM model is employed to investigate the solvent effect on the reactivity and stability of the compounds. Topological analyses are also performed, including ELF, LOL, RDG and charge transfer studies. ADME profiling is performed using SwissADME online tool. Anti-leukaemic target proteins are selected and docked with the title compounds to understand their suitability to act against leukaemic conditions. 2023 Elsevier B.V.
Parakkal S.C.; Lalnunfeli H.; Sidan S.; Datta R.
Computational and Theoretical Chemistry, Vol-1225
https://doi.org/10.1016/j.comptc.2023.114163 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85159922952&doi=10.1016%2fj.comptc.2023.114163&partnerID=40&md5=b679208b0cb0b482152956bce58492c4
Parakkal S.C., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Bengaluru, 560029, India; Lalnunfeli H., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Bengaluru, 560029, India; Sidan S., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Bengaluru, 560029, India; Datta R., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Bengaluru, 560029, India
Solvent-solute polarity, electrophilic, steric effects, reactive sites, themodynamic quantities discussion and biological evaluation of lung cancer antiproliferative activities of spirobrassinin derivatives
ADME; DFT; Docking; Lung cancer; Topology
The current study of spirobrassinin and its related compounds, 1-methoxyspirobrassinol and the 5-bromo analogue of methoxyspirobrassinin is performed to reveal a comparison among these molecules to understand which is the most reactive and bioactive. DFT (Density Functional Theory) studies comprising geometry optimisation (energy minimisation), FMO (Frontier Molecular Orbital) Analysis, theoretical UV analysis, NLO (Non-Linear Optics), NBO (Natural Bond Orbital) and thermodynamics studies are performed using Gaussian 09W. IEFPCM model is employed to investigate the solvent effect on the reactivity and stability of the title compounds. ADME profiles are generated using SwissADME, PreADMET and ADMETLab 2.0. Interesting lung cancer target proteins are docked with the title compounds is finally performed to obtain insight into the molecules' anticancer potential. 2023 Elsevier B.V.
Parakkal S.C.; Muthu S.; Datta R.; Kadaikunnan S.; Abbas G.
https://doi.org/10.1016/j.molliq.2023.122382 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85163476930&doi=10.1016%2fj.molliq.2023.122382&partnerID=40&md5=d87a4928c5a40738e95aa9d012f201d0
Parakkal S.C., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Bengaluru, 560 029, India; Muthu S., Department of Physics, Arignar Anna Govt. Arts College, Tamil Nadu, Cheyyar 604 407, India; Datta R., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Bengaluru, 560 029, India; Kadaikunnan S., Department of Botany and Microbiology, College of Science, King Saud University, P.O. Box 2455, Riyadh, 11451, Saudi Arabia; Abbas G., Institute of Inorganic Chemistry, Karlsruhe Institute of Technology, Engesserstr 15, Karlsruhe, 76131, Germany
Computational Chemical Property Prediction and Anticancer Simulation of Heterocyclic Molecules
The Density Functional Theory (DFT) technique is popularly employed in establishing organic molecules' structural properties and reactivities. The B3LYP hybrid functional with the basis set 6-311G++(d,p) is utilised in the computational calculations with Gaussian 09W software. The DFT studies include energy minimisation (geometry optimisation), frontier molecular orbitals (FMO) analyses, theoretical UV spectral computation, natural bond orbital (NBO) evaluation, Topological analyses using Multiwfn 3.8 software are performed to evaluate the Pauli repulsion in atomic orbitals (as shown by ELF (Electron Localisation Function) maps), the areas of strong and weak pi-delocalisation in the molecules (as depicted in LOL (Localised Orbital Locator) maps) and the weak non-covalent intra-molecular interactions (as indicated in colour maps of RDG (Reduced Density Gradient)). Pharmacological evaluation is performed using SwissADME, ADMETLab 2.0, and PreADMET online tools. Molecular docking is performed using AutoDock Tools 1.5.6 with select anticancer target proteins to predict the bioactivity potential of the title molecules. The molecules studied in the work include a spiro compoun d, spiro[1H-indole-3,2-3H-1,3- benzothiazole]-2-one, a 2(3H)-furanone, 3,3,5-triphenylfuran-2(3H)-one, and a benzo[d]imidazole, 5,6-dichloro-1-cyclopentyl-2-(methylsulfinyl)-1H- benzimidazole. In addition, comparative studies are performed on the structure and reactivity of spirobrassinin derivatives, spirocyclic isatin-derivative analogues, and 3(2H)-furanones, and these three classes of molecules have already been predicted to possess anticancer properties in vitro. Interesting properties emerge in the preliminary theoretical investigations for these molecules, particularly in the FMO, the NLO and the molecular docking studies. The theoretical studies explore the reactivity, structure, and stability of the molecules under study, and biological evaluation examines their potential as lead compounds for cancer therapeutics. These studies can be further extended to include experimental validation and in vitro and in vivo tests to confirm further the efficacy of the anticancer action as well as the potential toxicity of the compounds. The theoretical investigations provide a database of information that could be useful for experimental scientists and medicinal chemists who primarily focus on drug design and discovery in their research so that they can narrow down the number of possible lead compounds from the vast chemical space of organic compounds that possess drug-like characteristics.
New Paradigm of Marketing-Financial Integration Modelling for Business Performance: An IMC Model
Business performance; Competitive advantage; Finance market integration; Integrated marketing communication (IMC)
When it comes to the provision of financial services, the integrated marketing communication (IMC) process is crucial in the creation and maintenance of client-provider bonds. This research presents a literature assessment on the theoretical basis for using marketing communication tools in the provision of financial services. This research is an attempt to bolster the little theoretical literature on the effectiveness of marketing communication techniques in the provision of financial services. Financial service providers use marketing communication as a channel for two-way exchanges with their clientele, with the ultimate goal of maximising the benefits their customers bring to the company. When it comes to providing financial services, an organisations success hinges on its ability to effectively manage its relationships with both current and potential consumers. As a result, it is important for practical reasons to be guided by well-defined marketing communications goals to identify the extent of usage and within the constraints of available resources. In this regard, businesses are free to establish specific communications objectives in accordance with their unique situations to direct the implementation of their IMC plan. This study aims to find out an impact of financial integration with IMC on business performance. This study is descriptive in nature. Primary data is collected with the help of questionnaire. The study finds that the financial integration in the IMC model has a statistically significant impact on business success. The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd. 2024.
Paralkar T.A.; Goyal A.A.; Haque M.; Ramteke N.; Upreti K.; Shukla S.
Lecture Notes in Electrical Engineering, Vol-1115, pp. 155-172.
Springer Science and Business Media Deutschland GmbH
Paralkar T.A., Shri. Ramdeobaba College of Engineering and Management, Nagpur, India; Goyal A.A., G H Raisoni University Business Management, Saikheda, Madhya Pradesh, Chhindwara, India; Haque M., Dr. D.Y. Patil Vidyapeeths Centre For Online Learning, Dr. D.Y. Patil Vidyapeeth (Deemed to Be University), Maharashtra, Pune, India; Ramteke N., Indira Institute of Management, Pune, India; Upreti K., CHRIST (Deemed to Be University), Delhi NCR Campus, Ghaziabad, India; Shukla S., Department of Computer Science and Engineering, Christ (Deemed to Be University), Kengeri Campus, Bangalore, India
Cricket Shot Classification with Deep Learning: Insights for Coaching and Spectator Experience Enhancement
Batsman; Coaching Strategies; Cricket; Deep Learning; Model Architecture; Shot Classification; VGG-16
The cricket field has undergone significant transformations owing to recent technological advancements, particularly in countries like India. Technology has been used to determine projected scores, chances of winning, run rates, and many more parameters. This study centers on employing Deep Learning in cricket, focusing on the classification of different types of shots played by batsmen to aid in creating coaching strategies and enhancing the spectator experience. The proposed model uses a dataset of cricketing shots generated by collecting images from the internet, comprising 5781 images of 7 distinct shot types played by batters. The VGG-16, VGG-19, and RestNet-50 model architectures were trained for the classification task, with the best result obtained from VGG-16. Pre-processing tasks, such as scaling, augmentation, etc., were performed on the images before classification. Subsequently, 85% of the total images were used to train the model and for testing, rest 15% of images, resulting in an accuracy of 96.50% from VGG-16, 92% from VGG-19, and 78% from RestNet-50. 2024 IEEE.
TQCEBT 2024 - 2nd IEEE International Conference on Trends in Quantum Computing and Emerging Business Technologies 2024
Institute of Electrical and Electronics Engineers Inc.
Paramanik B., Christ (Deemed to Be University), Lavasa, Pune, India; Joseph A., Christ (Deemed to Be University), Lavasa, Pune, India; Kumar R., Christ (Deemed to Be University), Lavasa, Pune, India
Structural and antibacterial assessment of two distinct dihydroxy biphenyls encapsulated with ?-cyclodextrin supramolecular complex
Antibacterial activity; Gram-positive and gram-negative bacteria; Inclusion complex; Optical studies; Solid inclusion complex; ?-cyclodextrin
?-Cyclodextrin plays a vital role in biological application because it can enhance the stability and solubility of the guest molecules in the supramolecular inclusion complexes. Moreover, the ?-Cyclodextrin inclusion complex has control-releasing behavior and lower toxicity than bare guest molecules. To improve the solubility and stability properties of two structurally different fluorescent guest molecules, namely 2,2?-dihydroxy biphenyl and 3,3?-dihydroxy biphenyls, they involve the ?-Cyclodextrin inclusion complex process. Optical measurements clearly described the efficient binding through the changes in the absorbance and emission intensities of guest molecules in the presence of ?-Cyclodextrin. The Job's plot from absorbance measurements reveals the 1:1 stochiometric ratio of binding of guests and the ?-Cyclodextrin host. The FT-IR spectra of the solid complex show the characteristic stretching and bending vibrations from both the guests and the host molecule. The 1HNMR spectra of the inclusion complex promote downfield shifting of guest molecule protons upon binding with the ?-Cyclodextrin host. The solid complex prepared using the solution method exhibits superior antibacterial activity against both gram-positive and gram-negative bacteria compared to the kneading and physical mixing methods. 2024
Paramasivaganesh K.; Govindasamy C.; Shanmugasundaram E.; Krishnan N.K.; Saravanan C.; Thanusu J.; Thambusamy S.
Journal of Molecular Structure, Vol-1320
https://doi.org/10.1016/j.molstruc.2024.139701 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85201781289&doi=10.1016%2fj.molstruc.2024.139701&partnerID=40&md5=ef2c4ff9c4d345527d01c76c92f629ea
Paramasivaganesh K., Department of Industrial Chemistry, Alagappa University, Tamil Nadu, Karaikudi, 630003, India, Department of Chemistry, Arumugam Pillai Seethai Ammal College, Tamil Nadu, Tiruppattur, 630211, India; Govindasamy C., Department of Community Health Sciences, College of Applied Medical Sciences, King Saud University, P.O. Box 10219, Riyadh, 11433, Saudi Arabia; Shanmugasundaram E., Department of Industrial Chemistry, Alagappa University, Tamil Nadu, Karaikudi, 630003, India; Krishnan N.K., Department of Industrial Chemistry, Alagappa University, Tamil Nadu, Karaikudi, 630003, India; Saravanan C., Department of Chemistry, CHRIST (Deemed to be University), Karnataka, Bangalore, 560029, India; Thanusu J., Department of Chemistry, Alpha College of Engineering, Tamil Nadu, Chennai, 600124, India; Thambusamy S., Department of Industrial Chemistry, Alagappa University, Tamil Nadu, Karaikudi, 630003, India