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1969 articles for “quantum mechanics/molecular mechanics (QM/MM)” (ranking capped at the first 2,000 matches — narrow the search to see the rest)
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Air Flow Analysis in Sensor-Based Aircraft Wings Design
Abstract: Airflow analysis, at its core, is an application of fluid mechanics principles to the specific study of air movement. Airflow analysis plays a crucial role in diverse fields, impacting everything from the comfort of our homes to the efficiency of jet engines. The pursuit of more efficient, safer, and more responsive aircraft wings is a constant driver of innovation in the aerospace industry. The quest for more efficient, safer, and …
Published in Recent Trends in Fluid Mechanics · Vol. 12, Issue 2, 2025 · pp. 29–39 Read article
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Implementation of Drone Technology to Prepare a Contour Map of Nesave Village
Abstract: Nowadays modern surveying techniques or instruments like DGPS, LiDAR and Drones are widely used as they cover more area in less time for surveying. Such techniques can even be used where visiting survey areas are tough or not possible. Drones are used instead of traditional surveying in a village named Nesave. Drones are used to capture images and process them using specialized software such as Agisoft Metashape Professionals and QGIS …
Published in Journal of Geotechnical Engineering · Vol. 12, Issue 2, 2025 · pp. 1–13 Read article
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Comprehensive Review of Adenoid Cystic Carcinoma: Pathogenesis, Diagnosis, and Emerging Therapeutic Approaches
Abstract: Adenoid cystic carcinoma (ACC)is an infrequent neoplasm, highly malignant, that develops mainly in the salivary glands with the potential to exist in any secretory glandular sites, including the lacrimal glands, breast, and respiratory tract. ACC usually has a benign initial course, but conversely, it is notoriously aggressive in behavior with high incidence of perineural invasion, local recurrence, and distant metastasis, mostly to the lungs. The tumor’s molecular features are characterized …
Published in Research and Reviews: Journal of Oncology and Hematology · Vol. 14, Issue 3, 2025 · pp. 1–17 Read article
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Effect of 3D Printing Process Parameters on the Tensile Strength of Polylactic Acid (PLA)
Abstract: This study employs the Taguchi approach to systematically analyze and optimize critical Fused Deposition Modeling (FDM) parameters, focusing on their effect on the tensile strength of 3D-printed Polylactic Acid (PLA) components. The study explores three levels of layer thickness (0.15 mm, 0.25 mm, and 0.3 mm), infill densities (25%, 50%, and 75%), and nozzle temperatures (200°C, 205°C, and 210°C) across three infill patterns: Triangular, Gyroid, and Zig-zag. A total of …
Published in Journal of Polymer & Composites · Vol. 13, Issue 5, 2025 · pp. 128–140 Read article
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Ecological, Economic, and Medical Roles of Fungi: Insights from Mycology in Addressing Global Challenges"
Abstract: The large and diverse kingdom of fungi is vital to ecosystems, industry, agriculture, and medicine. Due to its ecological and biotechnological value, mycology has grown in importance. Fungi are crucial to natural systems and human life, decomposing organic materials, developing mutualistic interactions with plants, and producing antibiotics and fermented products. Recent advancements in molecular biology and genomics have significantly enhanced our understanding of fungal diversity, physiology, and evolutionary processes. These …
Published in International Journal of Fungi · Vol. 2, Issue 2, 2025 Read article
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Experimentation and Investigation of E - Glass Fibre/ Polyester Composites Laminates
Abstract: This paper centres on the autoclave moulding technique, offering a comprehensive analysis of the specimen fabrication process. The advanced composite manufacturing process involves the use of high temperatures and pressures during the curing step. This results in composite specimens that have a higher density and are devoid of any voids. Polyester, E-glass fibre, and SiC powder are the material components that make up the composite in this study. It is …
Published in Journal of Polymer & Composites · Vol. 13, Issue 5, 2025 · pp. 477–487 Read article
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Exploring Abies grandis phytocompounds potential by in silico analysis targeting on the 5P9J Protein
Abstract: Blood Cancer, also popular with name ‘Hematologic cancer’ have variety of types: Leukaemia, Lymphoma, Myeloma, uncontrolled multiplication of blood cells mainly affecting to bone marrow and blood cells (White Blood Cells). Lymphoma, originating from lymphatic system resulted in uncontrolled growth and instead of normal apoptosis development of tumor. Myeloma, uncontrolled formation of malignant plasma cells leads disrupting production of healthy blood cells. This situation creates variety of diseases like anaemia, …
Published in International Journal of Molecular Biotechnological Research · Vol. 3, Issue 2, 2025 Read article
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Development of Solar-Powered Automated Floating Type Oil Skimmer
Abstract: Solar-powered automatic floating oil skimmer oil spills are one of the most pressing environmental issues because they cause significant damage to marine environments. The development of a solar- powered automated floating oil skimmer offers an efficient and sustainable solution for oil spill removal. Powered primarily by solar energy, the system operates continuously without reliance on external power sources, making it ideal for remote or offshore locations. Its automated design reduces …
Published in Journal of Alternate Energy Sources & Technologies · Vol. 16, Issue 3, 2025 · pp. 29–35 Read article
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Nanoparticle-Based Early Diagnostic Tools for Tuberculosis and Malaria in Rural India
Abstract: Malaria and Tuberculosis continue to be two major public health challenges in rural India. The interplay between an inefficient health care system, late diagnosis, and under-identification of cases contributes to the high morbidity and mortality associated with TB and Malaria. Conventional methods, such as sputum microscopy for TB, microscopy and rapid diagnostic tests (RDTs) for malaria, have a higher benchmark of sensitivity that requires a certain amount of time, skilled …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 12, Issue 2, 2025 · pp. 45–51 Read article
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Development and Characterization of Pseudo-Elastic Ternary Cu-Al-Be Shape Memory Alloy and Its Scope as Shape Memory Hybrid Composites
Abstract: This research investigated the potential of the Cu-11.95Al-0.51Be shape memory alloy (SMA) for vibration damping applications. This specific composition of the alloy was selected to ensure the presence of the austenite phase (ß-phase) and to evaluate the pseudo-elastic (SE) behavior. This research explores the design, fabrication, and characterization of a pseudo-elastic ternary alloy. The key parameters examined in this study were the alloy phase and pseudo-elastic behavior. Other important factors, …
Published in Journal of Polymer & Composites · Vol. 13, Issue 5, 2025 · pp. 370–385 Read article
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Polymer–Gel Composite Phase Change Materials: A Functional Polymer Composite Approach for Solar-Thermal Energy Storage in Building Facades
Abstract: This study investigates polymer–composite phase change materials (PCMs) in the form of polymer–gel hybrids as multifunctional systems for solar–thermal energy storage in building façades. Paraffin- and PEG-based PCMs were embedded into polyurethane and acrylic gel matrices to create shape-stabilized polymer–composites with high PCM loading (70–80 wt%). Differential Scanning Calorimetry (DSC) confirmed distinct melting/freezing transitions at ~56°C (paraffin) and ~42°C (PEG), with enthalpy values of 120–150 J/g, closely matching theoretical predictions, …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 36–51 Read article
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Carbon Capture Using Polymer Based Membranes - A Green Solution to Climate Change
Abstract: Growing concerns over greenhouse gas emissions have intensified the search for efficient and eco-friendly carbon capture technologies. This study explores the potential of innovative polymer-based membranes as a sustainable approach to controlling CO2 emissions. The paper outlines the fundamental mechanisms of gas transport in membranes, reviews recent advancements in polymer material design, and examines various membrane configurations suited for industrial applications. Special attention is given to newly developed high-performance polymers …
Published in International Journal of Membranes · Vol. 2, Issue 2, 2025 · pp. 13–18 Read article
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Limestone Calcined Clay Cement (LC3) as a Sustainable Cementitious Composite for Retrofitting Concrete Structures: A Systematic Review
Abstract: This systematic review evaluates the effectiveness of Limestone Calcined Clay Cement (LC3) as a sustainable material for repairing and retrofitting damaged concrete structures. LC3 is highlighted as a low-carbon alternative to Ordinary Portland Cement (OPC), offering improved strength, bonding, and long-term durability. The review compiles and analyzes data from peer-reviewed experimental studies focusing on LC3’s mechanical performance, interface bonding, and durability parameters. Results consistently show higher bond strength, reduced shrinkage, …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 163–174 Read article
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In Silico Screening of Terminalia chebula Phytocompounds as Potential Inhibitors of NTCP and DDB1 in Hepatitis B Virus Infection
Abstract: Hepatitis B virus (HBV) infection is a major global health concern, and chronic carriers are at risk of developing cirrhosis, hepatocellular carcinoma (HCC), and even death. Existing treatments can effectively inhibit viral replication, but they achieve little eradication of the virus because of covalently closed circular DNA (cccDNA) retention. In this investigation, bioactive compounds of Terminalia chebula, a plant known for its hepatoprotective and antiviral properties in traditional medicine, were …
Published in Research & Reviews: A Journal of Drug Formulation, Development and Production · Vol. 13, Issue 1, 2026 · pp. 33–44 Read article
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In-Silico Repurposing of Antipsychotic Drugs Against Novel Protein Targets in Multidrug-Resistant Mycobacterium tuberculosis
Abstract: Multidrug-resistant TB is a growing worldwide health concern, particularly in high-burden areas. Resistance to frontline drugs like isoniazid and rifampicin is caused by mutations in key Mycobacterium tuberculosis proteins. Given the difficulty of developing new antibiotics, medication repurposing offers a good alternative. The potential use of molecular docking to target resistance-associated TB proteins with FDA-approved antipsychotic drugs is investigated in this work. Three proteins were selected: InhA (PDB ID: 5W07), …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 13, Issue 1, 2026 · pp. 49–63 Read article
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Sustainable Waste Management Using AI and Robotics
Abstract: The fast increment in squander era around the world has driven to noteworthy natural and open wellbeing concerns. Conventional squander administration strategies, which depend intensely on manual labor and obsolete forms, are battling to keep up with the developing volume, driving to wasteful aspects and environmental harm. AI and Mechanical autonomy give inventive arrangements by improving effectiveness in squander collection, sorting, reusing, and transfer. AI-driven squander sorting frameworks optimize exactness, …
Published in International Journal of Advanced Robotics and Automation Technology · Vol. 3, Issue 2, 2025 · pp. 42–48 Read article
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Advanced Lithium-Ion Battery Prognostics: A Comprehensive Review of Machine Learning Approaches for Remaining Useful Life Prediction
Abstract: The lithium-ion battery (LIB), as one of the main sources for portable power systems, has been increasingly popular owing to its widespread applications in electric vehicles, consumer electronics, aerospace and renewable energy. Despite their advantages in high energy density and long cycle life, LIBs suffer from degradation over time of aging and cycling, resulting in loss of performance, safety issues, and economic bottlenecks. Predicting their Remaining Useful Life (RUL) is …
Published in International Journal of Mechanical Dynamics and Systems Analysis · Vol. 3, Issue 2, 2025 · pp. 12–27 Read article
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AI- based Prediction of Misinformation Virality Before Wide Dissemination using Attention-based Multi-modal
Abstract: Misinformation on social media has emerged as a critical global challenge, impacting public health, democratic institutions, and societal trust. While existing research has largely concentrated on detecting misinformation after it begins circulating, predicting its virality before wide dissemination remains an underexplored area, limited work addresses predicting its virality before wide dissemination. This paper presents a conceptual framework using attention-based multi-modal deep learning models to estimate the virality of misinformation posts …
Published in Journal of Mobile Computing, Communications & Mobile Networks · Vol. 12, Issue 3, 2025 Read article
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Performance Evaluation of Concrete with Binary and Ternary Blends of Fly Ash, Silica Fume, and Fiber Reinforcement
Abstract: This study evaluates the effect of ground granulated blast furnace slag (GGBS) as a partial replacement for cement on the mechanical properties of concrete, focusing on compressive and split tensile strength. Concrete mixes were prepared with GGBS replacement levels of 0%, 25%, and 50% and subjected to different curing methods, including water curing, steam curing, and conceal curing. These curing methods were selected to investigate their impact on hydration, strength …
Published in Journal of Construction Engineering, Technology & Management · Vol. 15, Issue 3, 2025 · pp. 40–45 Read article
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Superplasticity Behavior of Aluminium Alloys Through FSP: A Review
Abstract: Friction Stir Processing (FSP), an advanced modification of Friction Stir Welding (FSW), has emerged as a highly effective technique for fabricating surface composites with superior mechanical and metallurgical properties. FSP enhances the microstructure and superplastic behavior of materials, particularly aluminium alloys, by subjecting them to high strain rates at relatively low temperatures. This review paper critically examines the development and optimization of FSP for aluminium alloys, emphasizing key factors such …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 65–77 Read article