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697 articles for “Computational Studies”
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Enhanced Heat Transfer in Double Pipe Heat Exchanger with Circular Fins Using Copper Nanofluid and Twisted Tape Inserts: A Computational Study
Abstract: The enhancement of convective heat transfer in a double-pipe heat exchanger utilizing circular finned twisted tape inserts and helical screw-tapes with centre rods, in conjunction with copper oxide nanofluid as the heat transfer medium was studied in this project. Computational Fluid Dynamics (CFD) simulations were conducted across Reynolds numbers ranging from 500 to 5000 to analyse heat transfer characteristics. The investigation focuses on Nusselt number improvement and friction factor analysis …
Published in Journal of Thermal Engineering and Applications · Vol. 12, Issue 1, 2025 · pp. 11–22 Read article
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A Computational Study of Lift and Drag Characteristics for NACA 4415 and NACA 2412 Aerofoils
Abstract: The performance of an aerofoil is crucial in designing wind turbine blades, aircraft wings, and other aerodynamic surfaces. This project presents a comparative analysis of two widely used aerofoil profiles, NACA 4415 and NACA 2412, to study their lift and drag characteristics under different flow regimes. The aerofoil geometries were developed using the NACA four-digit notation and modeled in ANSYS Design Modeler. Numerical simulations were conducted in ANSYS Fluent for …
Published in Journal of Polymer & Composites · Vol. 14, Issue 2, 2026 · pp. 1298–1315 Read article
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Computational Study of Sombor Index on Generalized Abid–Waheed Graphs for Polymer Modeling
Abstract: This study investigates the topological properties of generalized Abid Waheed graphs. Development of theoretical models in chemistry, reducing computational complexity while analysing large molecules or networks Abid Waheed graphs play a significant role. Motivated by these findings, the research was extended to encompass generalized Abid Waheed graphs, characterized by r cycles of order s. A notable similarity between Abid Waheed graphs and Jahangir graphs was observed. The potential applications of …
Published in Journal of Polymer & Composites · Vol. 13, Issue 5, 2025 · pp. 267–274 Read article
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Computational Studies on PVDF-HFP/Li-salt Composite Electrolyte for Lithium-ion Batteries
Abstract: Density Functional Theory (DFT) is very useful method to study the geometrical, electronic, and other important properties of molecules. Parameters and required data of Poly(vinylidene fluoride-co- hexachloropropylene) (PVDF-HFP), lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) and polymer electrolyte (PVDF-HFP + LiTFSI) are calculated with the B3LYP functional and 6-31+G(d,p) and 6- 31++G(d,p) basis sets using Gaussian03. The optimized geometry, total energy, ionization potential, electron affinity, energy gap, and electronegativity were calculated. In result, the …
Published in Journal of Nanoscience, NanoEngineering & Applications Read article
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A Computational Study to Elucidate the Phytochemicals as An Antagonist Against Pruritis in Psoriasis
Abstract: Objective: Psoriasis is a chronic, non-contagious, auto-immune skin disorder that causes inflammation, pain, and itching in the affected areas. The etiology of this condition is not entirely understood, and while there are treatments available to manage the symptoms, there is currently no cure. The Transient receptor potential cation channel, subfamily Vanillin, member 3 (TRPV3), present in keratinocytes, allegedly had a part in the development of psoriasis-related pain and itching. Specifically, …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 1, Issue 2, 2023 · pp. 49–61 Read article
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Synthesis, Spectral Characterization and Computational Studies of Hydrazine Derivative
Abstract: (E)-1-(2,3-dimethoxy benzylidene)hydrazine (2,3-DMBH) is synthesized by condensation reaction. FT-IR, ¹H NMR, ¹³C NMR spectra were recorded for this compound. The synthesized compounds were evaluated as potential drug candidates through ADME analysis and Lipinski’s rule verification. Molecular docking studies against six proteins using AUTO DOCK software showed promising results. Among them, 2,3-DMBH exhibited strong binding affinities, particularly with 3ERT (-5.44 kcal/mol), followed by 5F90, 7E9B, and 3EWD. These findings suggest that …
Published in Emerging Trends in Chemical Engineering · Vol. 12, Issue 2, 2025 · pp. 1–17 Read article
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Medical Science in the Digital Era: A Comprehensive Study on Computing in Healthcare
Abstract: Adding computers to medical science has changed how healthcare is delivered, how research is done, and how well patients do. This article talks about the many ways that computer technology is used in modern medicine, such as for diagnostic imaging, electronic health records (EHRs), telemedicine, surgical robotics, and research that is based on data. Improvements in artificial intelligence (AI) and machine learning have made it possible to make more accurate …
Published in Research and Reviews : A Journal of Medical Science and Technology · Vol. 14, Issue 3, 2024 Read article
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Synthesis, spectroscopic, crystal structure, Hirshfeld surface, computational, and biological investigations on Isophorone derivatives: 3-(3,4-dimethoxystyryl)-5,5-dimethylcyclohex-2-en-1-one
Abstract: FT-IR, 1H NMR, and 13C NMR spectroscopy were among the spectroscopic methods used to synthesize and analyze 3-(3,4-dimethoxystyryl)-5,5-dimethylcyclohex-2-en-1-one, a new isophorone derivative. Single-crystal X-ray diffraction (SCXRD) was used to determine the crystal structure, which showed that the molecule crystallizes in a monoclinic system (space group P121/c1) with packing configurations and intermolecular interactions. To learn more about the non-covalent interactions influencing the crystal packing, Hirshfeld surface analysis was used. In order …
Published in Journal of Modern Chemistry & Chemical Technology · Vol. 16, Issue 2, 2025 · pp. 51–69 Read article
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Dealing with Hardware of the Computers: An Analytical Study
Abstract: The evolution of computer hardware has been pivotal in shaping modern computing capabilities, impacting both personal and professional spheres. This study offers a thorough overview of essential hardware components, such as the central processing unit (CPU), memory, storage devices, motherboards, and input/output peripherals. It explores how advancements in hardware technology, such as the transition from mechanical hard drives to solid-state drives (SSD) and the development of multi-core processors, have enhanced …
Published in Journal of Computer Technology & Applications · Vol. 16, Issue 1, 2025 · pp. 12–21 Read article
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Computational Molecular Docking Studies to Design Novel 2, 3-Substituted-1-(4-(Piperidin-1-yl) butyl)-1H- indol-5-ol Derivatives for Estrogen Receptor Alfa in AF-2 Domain
Abstract: The present manuscript describes the designing of novel 2, 3-Substituted-1-(4-(Piperidin-1-yl) butyl)- 1H-indol-5-ol derivatives as specific estrogen receptor alfa modulators and their screening by docking studies to determine the binding interaction for the best-fit conformations in the binding site of the ERα receptor. Based on the results of docking studies, the selected ligands reveal the all- important functional groups of the ligands that interact with active amino acid residues in the …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 12, Issue 3, 2025 · pp. 15–49 Read article
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Study on Cloud Computing’s Deployment Models
Abstract: Cloud computing represents a significant technological advancement in the information technology industry. It is one of the fastest-growing technologies, where computing resources are managed and allocated across the globe via the internet. Today, cloud computing is a key topic in many computer science curricula due to its extensive impact on various computing domains, particularly big data, which would be impossible without cloud computing. Cloud computing is an internet-based technology that …
Published in Current Trends in Information Technology · Vol. 14, Issue 3, 2024 · pp. 26–33 Read article
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Repurposing Liv-52 For Primary Sclerosing Cholangitis: A Computational Docking And Pharmacokinetic Study To Evaluate Its Bile Flow-Regulating Potential
Abstract: Primary Sclerosing Cholangitis (PSC) is a long-term liver disease where the bile ducts become inflamed and scarred over time. This scarring can block the flow of bile, leading to liver damage and, eventually, liver failure. The etiology of PSC remains largely unknown, and current treatment options are limited, highlighting the need for novel therapeutic strategies. This study aims to repurpose Liv-52, a traditional herbal formulation known for its hepatoprotective properties, …
Published in Research and Reviews : Journal of Computational Biology · Vol. 14, Issue 2, 2025 Read article
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Data Representation and Abstraction in Computer Systems: An Interactive Study
Abstract: Data abstraction simplifies data, while data representation stores or encodes it. Data abstraction in programming involves constructing a data type that hides data representation. This lets consumers concentrate on the data’s primary features rather than its implementation. Data abstraction is common in object-oriented programming and database administration. Computers store data in binary format. The smallest binary unit is a bit, or “binary digit”. Bytes typically have eight bits. Data abstraction …
Published in International Journal of Data Structure Studies · Vol. 2, Issue 2, 2024 · pp. 22–31 Read article
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A Study of Open-source Cloud Computing Platforms
Abstract: Cloud computing has modernized the way organizations manage, store, and process data, offering scalable and cost-effective solutions. Open-source cloud computing platforms have emerged as a key enabler in this transformation, providing flexibility, transparency, and community-driven innovation. This study discusses the most prominent open-source cloud platforms, including OpenStack, CloudStack, and Kubernetes, highlighting their architecture, features, and use cases. The study deals with their comparative strengths, limitations, and adoption challenges in various …
Published in Journal of Open Source Developments · Vol. 12, Issue 1, 2025 · pp. 25–36 Read article
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Valeton Phytoconstituents from Curcuma Phaeocaulis as Prion Protein Mutant V210I Inhibitors: A Computational Docking and Virtual Screening Study
Abstract: Objective: Creutzfeldt-Jakob disease (CJD), a neurological disorder that is sporadic, fatal, communicable, and worsens rapidly, is caused by abnormal folding of prion proteins. Identifying and assessing the potential of phytocompounds from the Curcuma phaeocaulis Valeton plant as a new therapeutic candidate aimed at the treatment of CJD is the objective of this research article. Methods: In this experiment, we assessed outcomes following an in-silico assessment to design a new oral …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 1, Issue 2, 2023 · pp. 1–16 Read article
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Investigating The Alkalizing Potential of Chandanasava For Restoring Acid-Base Homeostasis in Renal Tubular Acidosis: A Computational and In Silico Pharmacological Study
Abstract: Chandanasava, a traditional Ayurvedic formulation, is recognized for its potential alkalizing properties, which may help restore acid-base homeostasis in conditions such as renal tubular acidosis (RTA). This study aims to investigate the active components of Chandanasava and their interactions with key renal target proteins, Pendrin and Carbonic Anhydrase II, which are essential for maintaining acid-base balance. An in silico approach was utilized to explore the pharmacological potential of the phytochemicals …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 2, 2025 · pp. 28–52 Read article
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A Study on the Effects of the Computer Revolution in India
Abstract: There are several effects that the computer revolution has had on India, including the following: the software business has emerged as one of the most rapidly expanding in the economy, contributing to the overall expansion of the economy. The government can inform the public about its policies and work through the infrastructure of mobile telephony and information and communication technology. Online shopping is a big business today. Distribution by digital …
Published in Current Trends in Information Technology · Vol. 15, Issue 1, 2025 · pp. 33–43 Read article
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A Study to Evaluate the Effectiveness of a Computer-assisted Teaching Program on Knowledge About the Distribution and Use of Iron and Folic Acid Tablets During the Antenatal Period Among Primigravida Mothers in Selected Villages of Holenarasipura Taluk, Karnataka
Abstract: Pregnancy is a critical period in a mother’s life, and proper knowledge about managing pregnancy is essential for maternal and fetal health. This study aimed to evaluate the effectiveness of a computer-assisted teaching program in improving knowledge about the distribution and use of iron and folic acid tablets among primigravida mothers in selected villages of Holenarasipura taluk. A one-group pre-test and post-test pre-experimental design was employed, using non-probability convenience sampling …
Published in International Journal of Midwifery Nursing And Practices · Vol. 2, Issue 2, 2024 · pp. 28–40 Read article
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Computational Fluid Dynamics and Composite Material Study on Scoop-Type Savonius Turbine for Train-Based Energy Generation
Abstract: This study investigates the feasibility of integrating a scoop-type savonius vertical-axis wind turbine (VAWT) on the rooftop of a moving train to generate renewable onboard power. The motivation stems from increasing demands for sustainable energy solutions and reducing reliance on fossil fuels, particularly in transportation. A two-blade savonius turbine, with dimensions of 0.4 m in diameter and 0.5 m in height, was modeled in PTC Creo Parametric 3.0 and analyzed …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 566–580 Read article
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Leveraging Deep Learning and Cloud Computing for Water Usage Optimization in Agriculture: A Study
Abstract: Water scarcity and inefficient irrigation practices are significant challenges in modern agriculture. This research investigates how deep learning and cloud computing can be combined to enhance water efficiency in agricultural practices. Leveraging advancements in deep learning and cloud computing, researchers have developed innovative solutions for optimizing water usage. This review examines the state-of-the-art methodologies, technologies, and applications in smart irrigation systems. It explores how deep learning models and cloud platforms …
Published in Journal of Artificial Intelligence Research & Advances · Vol. 12, Issue 2, 2025 · pp. 83–91 Read article