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63 articles for “in-silico analysis”
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TiO₂ Nanostructured Material-based Gas Sensor for Detecting Oxygen and LPG Gases
Abstract: This Paper investigates the use of TiO2 nanowires and nanotetrapods on glass and silicon substrates for sensing combustible gases such as LPG (Liquid Petroleum Gas) and Oxygen. The growth of Titanium dioxide (TiO2) nanowires/nanorods/nanotetrapods was investigated using both physical and chemical methods. In thermal evaporation method, both with and without vacuum conditions, was employed to synthesize various TiO2 nanostructures. A vacuum coating machine was utilized to create uniform TiO2 thin …
Published in Journal of Polymer & Composites · Vol. 13, Issue 5, 2025 · pp. 443–451 Read article
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Impact of Semiconductor Material Properties on Device Behavior and Circuit Performance: A Comprehensive Review
Abstract: Semiconductor materials play a fundamental role in determining the performance, efficiency, and reliability of modern electronic devices and circuits. This review presents a comprehensive analysis of how intrinsic and engineered material properties influence device behavior and overall circuit functionality. Key parameters such as bandgap energy, carrier mobility, thermal conductivity, and defect density are examined to understand their direct impact on switching speed, power consumption, and operational stability. The paper explores …
Published in Journal of Semiconductor Devices and Circuits · Vol. 13, Issue 1, 2026 Read article
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Molecular Docking and Interaction of Anthocyanin Derivatives in Regulating Hippo-taz Pathway for Renal Injuries
Abstract: Introduction: The Hippo pathway plays a pivotal role in renal disease, with Yes-associated protein (YAP) exhibiting promise for combined treatments. The crucial evaluation of YAP-targeted drug safety and efficacy through preclinical studies is imperative. Additionally, α-SMA and SMAD3 emerge as potential therapeutic targets in renal fibrosis, driving ongoing research toward innovative interventions. Materials and Methods: In the systematic identification of therapeutic secondary metabolites, Anthocyanin derivatives were methodically retrieved from the …
Published in International Journal of Genetic Modifications and Recombinations · Vol. 2, Issue 1, 2024 · pp. 23–38 Read article
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Optimizing Parameters for Dry Sliding Wear Control in Stir-Cast AA7050/SiC Composites
Abstract: Using a pin-on-disc tribometer, this study examined the dry sliding wear behavior of AA7050/SiC composites. The production of this metal matrix composite was achieved through the stir-casting process, which involved an initial step of melting the AA7050 alloy, followed by the careful introduction of silicon carbide (SiC) particles, stirring to achieve uniform dispersion, and finally, casting the molten mixture. Wear rate (WR) was determined by three operational parameters: SiC reinforcement …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 1624–1635 Read article
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Performance Analysis of a Three-DOF Piezoelectric Vibration Energy Harvester
Abstract: Mechanical vibration energy can be transformed into electrical energy by a vibration energy harvester, which can then be stored in the battery for later use. It can convert vibrational motions like walking, leaping, running, etc. into pure renewable energy. This can turn previously squandered energy into energy that can be used to recharge wireless sensors and portable electronics. If these gadgets are used widely, they can produce a lot of …
Published in Journal of Polymer & Composites · Vol. 11, Issue 9, 2023 · pp. 10–18 Read article
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Anti Covid-19 Drugs Suggested by Computational Methods: A Review
Abstract: Background and aims: Long COVID refers to the persistence of illness in individuals who have survived from COVID-19 infection. This article reviews long covid and the use of in silico techniques in drug development for COVID-19. Results: Many COVID-19 survivors have long COVID, which has become a burden in daily life. Various attempts have been undertaken to relieve symptoms and manage it, but there is no cure as of yet. …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 1, Issue 1, 2023 · pp. 16–34 Read article
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Investigation of Mechanical Behaviour in Brake Shoe Liner by Using Composite and Nano Materials
Abstract: The mechanical performance of the brake shoe liners dictates the safety and efficiency of the vehicles; thus, brakes are very vital in ensuring controlled deceleration and stopping. In the past few decades, composites have significantly impacted the automotive industry through lighter, stronger, and sturdier alternatives to traditional materials improving overall performance. Nano additives are of key importance in such composites, improving not only the mechanical properties but, more significantly, the …
Published in Journal of Polymer & Composites · Vol. 13, Issue 2, 2025 · pp. 280–295 Read article
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In-silico Approach of Few Selected Phytoconstituents on Newer Cancer Targets
Abstract: Background: Cancer’s high death rates are mainly due to, drug resistance and unmet medical demands. It necessitates novel anticancer medications. AI tools aid in efficient and faster drug discovery by analyzing data, modeling processes and optimizing pipeline stages. Aim: The aim of this present study is to evaluate phytoconstituents against novel and newer cancer targets. Methodology: The ligands Daidzein, Resveratrol and Genistein were targeted against the Glutamate dehydrogenase (PDB ID …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 15, Issue 3, 2024 · pp. 12–17 Read article
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Modeling of ZnO Based Nano Sensor Device for Evaluating Electronic Interaction with NO2 Pollutant: Combining Multiphysics Simulation and DFT Study
Abstract: This study focuses on the designing and modeling of a sensor device employing zinc oxide (ZnO) nanowires (NWs), and the evaluation of the chemical response of the same in the presence of nitrogen dioxide (NO2), which is an acute harmful pollutant for human health and environment. Experimentally synthesized ZnO nanostructures were used as the basis for modeling of the ZnO NWs based sensor device along with a single ZnO NW, …
Published in Journal of Polymer & Composites · Vol. 13, Issue 2, 2025 · pp. 211–219 Read article
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Drugs for Alzheimer’s Disease from Salix Alba Discovered Computationally Utilizing Virtual Screening and Docking against 1b41 Protein
Abstract: Objective : The of this research is to evaluate the feasibility of using molecular docking techniques to identify novel acetylcholinesterase, a key enzyme implicated in the pathogenesis of Alzheimer’s disease, a neurodegenerative disorder with a gradual but steady progression to death, due to the gradual accumulation of beta-plaques and neurofibrillary tangles, as well as a decline in acetylcholine levels. Due to its function in converting acetylcholine into acyl and choline …
Published in International Journal of Genetic Modifications and Recombinations · Vol. 1, Issue 2, 2023 · pp. 07–19 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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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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Multitarget Molecular Docking Using Curcuma longa Phytocompounds for Polycystic Ovary Syndrome Treatment
Abstract: Objective: The primary goal of this research is to understand and describe specific aspects of molecular interaction, it includes studying various aspects such as binding affinity, binding mode, and stability of the ligand-protein complex. Molecular docking is a computational technique used to predict the preferred orientation of one molecule to a second when bound together to form a stable complex. In this study, molecular docking will be employed to stimulate …
Published in International Journal of Molecular Biotechnological Research · Vol. 2, Issue 1, 2024 · pp. 15–28 Read article
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E-glass Fiber Epoxy Composites: Role of Al2O3/SiC Fillers in Physical, Flammability and Mechanical Characteristics
Abstract: This study investigates the effects of varying weight percentages of Silicon Carbide and Alumina particles in epoxy-based composites, fabricated through compression molding, on their physical and mechanical properties. Comparing different studies on carbon fiber-reinforced polymer (CFRP) composites, as well as glass fiber-reinforced polymer (GFRP) composites, especially with the reinforcement of nanoparticles such as silicon carbide (SiC), alumina (Al2O3) and graphene. The investigations cover fabrication methods, like vacuum infusion and compression …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 238–250 Read article
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Molecular Docking Study: Targeting mycobacterium leprae ML2640 Protein Using Active Compounds from Coscinium fenestratum
Abstract: Objectives: Leprosy is an infectious disease in skin, peripheral nerve and mucosa of upper airway. Around 70% of this infection is caused by Mycobacterium leprae, which was discovered during1873. Multi drug therapy is used for the treatment, still multiple drug resistance and reactions has been reported among patients. Hence, this work focused on identifying bioactive compounds from Coscinium fenestratum that can target mycobacterium leprae ML2640 protein by in-silico approach. Method: …
Published in International Journal of Genetic Modifications and Recombinations · Vol. 1, Issue 2, 2023 · pp. 21–33 Read article
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An Experimental Investigation of Process Parameters for Aluminum Alloy Composites
Abstract: The objectives of this work are to develop an aluminum alloy composites and investigate machining process parameters effect on the tool wear rate for composites. The composite is enhanced using silicon carbide and graphite. The composite is made by a method called stir casting. Furthermore, it is investigated both mathematically and experimentally. This study takes trial on aluminum alloy composite to see output characteristics tool wear rate are affected by …
Published in Journal of Polymer & Composites · Vol. 13, Issue 4, 2025 · pp. 185–193 Read article
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Effects of Sub-Zero Temperatures on the Viscoelastic Properties of Magnetorheological Elastomer
Abstract: Magnetorheological elastomers (MREs) are smart materials capable of tuneable stiffness and damping under applied magnetic fields. This renders the material as a promising candidate for adaptive vibration control and semi-active engineering applications. While their behaviour at elevated temperatures has been widely explored, limited attention has been given to their performance under sub-zero conditions, which are critical for cold-environment applications. As this has become an important concern, the study investigates the …
Published in Journal of Polymer & Composites · Vol. 14, Issue 4, 2026 Read article
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Enhancing The Mechanical Performance of Al6061/Graphite Composites Reinforced with Sic and Aluminium Oxide Processed by Stir Casting
Abstract: The study investigates the mechanical properties of aluminum alloy Al6061 reinforced with varying proportions of silicon carbide (SiC) (0 wt%, 4 wt%, 5 wt%, and 6 wt%) and aluminum oxide (Al₂O₃) (0 wt%, 4 wt%, 3 wt%, and 2 wt%), with a constant addition of 1 wt% graphite. The composites were fabricated using the stir casting process, an efficient and economical method for uniformly distributing ceramic reinforcements within the metal …
Published in Journal of Polymer & Composites · Vol. 13, Issue 2, 2025 · pp. 66–74 Read article
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Structure–Property Relationships in Poly (N isopropylacrylamide) Hydrogels: Toward Thermoresponsive Polymer Composites
Abstract: Poly(N-isopropylacrylamide) (PNIPAAm) hydrogels can shift from solid to gel and back again at body temperature. Due to their lack structural integrity, thermal stability, and mechanical strength, they are difficult to use. This study mixed PNIPAAm with biocompatible fillers like chitosan and silicon nanoparticles to create hydrogels with superior structure-property correlations. Free radical polymerization with ammonium persulfate/TEMED initiator and N,N′-methylenebisacrylamide crosslinker produced the composites. Scanning electron microscopy showed a denser, interconnected …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 884–895 Read article
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Spintronic Logic Circuits for Ultrafast Processing
Abstract: Spintronic logic has emerged as one of the most promising post-CMOS paradigms capable of addressing the speed, density, and energy challenges of deeply scaled silicon technologies. By relying on the intrinsic properties of electron spin and magnetization dynamics, spintronic devices—particularly Magnetic Tunnel Junctions (MTJs), Spin-Transfer Torque (STT), and Spin–Orbit Torque (SOT) structures—enable ultrafast, non-volatile data processing with significantly reduced energy consumption. Despite remarkable device-level advancements, circuit- level realization of high-speed, …
Published in International Journal of VLSI Circuit Design & Technology · Vol. 3, Issue 2, 2025 · pp. 35–43 Read article