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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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Development and Analysis of General-Purpose Drone
Abstract: In recent years, drones have become indispensable tools across various industries, thanks to their versatility and wide-ranging applications. The fabrication of drones is a complex process that integrates multiple engineering disciplines, including mechanical design, electrical systems, aerodynamics, and software development. The meticulous design of the drone's frame, taking into account factors such as weight, durability, and aerodynamic efficiency, marks the commencement of the fabrication process. The paper presented a comprehensive …
Published in Journal of Aerospace Engineering & Technology Read article
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Polymer-Based Medical Restraints: Advances in Polymer Chemistry for Enhanced Patient Safety
Abstract: Medical restraints play a crucial role in ensuring patient and staff safety during medical procedures, particularly when dealing with individuals who may be at risk of self-harm or unintentional movement. Traditional restraints, often made from rigid materials or fabric straps, present several challenges, including patient discomfort, pressure injuries, and incompatibility with advanced medical imaging techniques such as MRI and CT scans. Moreover, traditional materials may deteriorate over time, diminishing their …
Published in Journal of Polymer & Composites · Vol. 13, Issue 4, 2025 · pp. 153–157 Read article
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Bio-Inspired FGPCs for Biomedical and Structural Applications
Abstract: Bio-inspired functionally graded polymer composites (FGPCs) represent a new class of smart materials that use gradient material distributions to enhance mechanical and biological properties, mimicking natural systems like bones, shells, and plant stems. FGPCs exhibit smooth gradient distributions across interfaces, which improves biocompatibility and reduces the risk of failure under complex loading and environmental conditions. In this study, bio-inspired FGPCs were designed, fabricated, and validated using a combined experimental and …
Published in Journal of Polymer & Composites · Vol. 14, Issue 2, 2026 · pp. 456–481 Read article
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Toxicological Profiling and Safety Assessment of NASAT 2.0: A Conceptual Framework for Adaptive Nanoparticle Therapy in Rabies
Abstract: Rabies, caused by the highly neurotropic Rabies lyssavirus, remains one of the most enigmatic and universally lethal infectious diseases known to modern medicine. Once clinical symptoms manifest following successful neuroinvasion, the fatality rate approaches absolute certainty (approximately 99.9%), a staggering statistic that has remained largely unchallenged despite massive, concurrent advances in modern virology, critical care medicine, and cellular immunology. Current late-stage therapeutic protocols, most notably the widely debated Milwaukee Protocol, …
Published in Research and Reviews: A Journal of Toxicology · Vol. 16, Issue 2, 2026 · pp. 1–19 Read article
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A Threshold-Weighted Mathematical Fusion Model for Epidemic Outbreak Prediction Using SEIR Residual Dynamics and Cloud-Based Machine Learning
Abstract: Accurate prediction of epidemic outbreaks is critical for effective public health management, resource planning, early warning generation, and timely intervention by municipal authorities. Traditional compartmental models such as Susceptible–Exposed–Infectious–Recovered (SEIR) offer valuable epidemiological insights and mathematical interpretability; however, they may not adequately capture the complex nonlinear relationships present in real-world urban health systems. Conversely, data-driven machine learning techniques can identify hidden patterns in large datasets but often lack epidemiological structure …
Published in Research & Reviews : Journal of Statistics · Vol. 15, Issue 2, 2026 · pp. 12–19 Read article
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Self-Powered Piezoelectric Nano-Polymer Networks with Embedded Wireless Nodes for Distributed IoT Sensor Platforms
Abstract: Self-powered sensing systems are emerging as a promising solution for next-generation distributed Internet of Things (IoT) platforms, where lightweight, flexible, and low-maintenance devices are required for continuous monitoring. In this work, a self-powered piezoelectric nano-polymer network based on poly-vinylidene fluoride (PVDF) reinforced with BaTiO₃ nanoparticles and multiwalled carbon nanotubes (MWCNTs) was developed for flexible wireless sensing applications. The composite was designed to combine mechanical flexibility, enhanced piezoelectric response, and real-time …
Published in Journal of Polymer & Composites · Vol. 14, Issue 5, 2026 Read article
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Crystal Defects and Their Characterization in Modern Materials Science
Abstract: The physical and chemical properties of crystalline solids are fundamentally dictated by deviations from structural perfection, known as crystal defects. From the point-scale vacancies that drive diffusion to the planar boundaries that determine mechanical strength, defects serve as the primary "tuning knobs" in material design. This review provides a comprehensive examination of point, line, and planar defects, exploring their formation energetics and their role in plastic deformation via crystallographic slip. …
Published in International Journal of Crystalline Materials · Vol. 3, Issue 1, 2026 · pp. 15–19 Read article
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Veterinary Mycology: Fungal Infections in Livestock and Companion Animals
Abstract: Fungal infections represent a significant yet often underestimated challenge in veterinary medicine, affecting both livestock and companion animals. Veterinary mycology encompasses a diverse group of pathogens, including yeasts, molds, dimorphic fungi, and dermatophytes, that can cause localized or systemic diseases with substantial health, economic, and zoonotic implications. In livestock species, such as cattle, sheep, goats, poultry, pigs, horses, and camels, fungal infections manifest as dermatophytosis, mycotic mastitis, aspergillosis, keratomycosis, and …
Published in Research and Reviews : Journal of Veterinary Science and Technology · Vol. 14, Issue 3, 2025 · pp. 44–51 Read article
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COVID-19: Nija or Agantuj Roga, Ayurvedic Perspective
Abstract: which is explained under name Janapadodhwamsa or Maraka, It is explained in detail as an independent chapter in various classical texts. As per description Ayurvedic literature described their mechanism of Aetiology (Nidana), various factors affecting severity and actions complicating illnesses along with their management and preventive method. In this article,An attempt is made to describe it as per our classical science, which assert the superiority of host susceptibility (Nija) over …
Published in Research and Reviews: A Journal of Health Professions Read article
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Evaluation of Chemical Application as Pilot to Improve Oil Production from High Viscous Oil in Sandstone Reservoir
Abstract: Chemical injection stimulation is one of worldwide proven technologies for viscosity reduction and mobility enhancement. The principle mechanism is to reduce heavy oil viscosity by injecting of active chemical agent solution into reservoir as huff and buff practice, the agent solution is act at near wellbore area by remove plugging of heavy organic material, Energy support due to large quantity of stimulation liquid being injected into the formation, viscosity reduction …
Published in Journal of Petroleum Engineering & Technology Read article
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Model to Predict a Ratio Control of Hydrocarbon Acid and Water in a Packed Bed Reactor
Abstract: Model development was carried out to examine the ratio of hydrochloric acid gas and water in a packed bed reactor. The research predicted increase in output with increase in time, revealing the effectiveness ratio control of hydrochloric acid separation from water using absorption column mechanism. The density of the products played an active role in the separation process as well as in control action function. The developed model can be …
Published in Emerging Trends in Chemical Engineering Read article
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An Approach on Optimization of Thermo Physical Properties of Teak Wood Dust Filled Polymeric Composites
Abstract: The aim of the present work was to prepare the specimens with the help of hand-lay-up technique to measure the thermal properties of TWDPC. The density & voids of TWDPC were measured to determine its physical property & significantly affected some of its mechanical properties. Taguchi experimental method was applied to optimize its thermal properties. The optimal factor combinations were determined with the help of ANOM & the analysis of …
Published in Journal of Polymer & Composites Read article
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Advanced Quantitative Analysis of Dynamic Recovery during Warm Working of FCC Alloys
Abstract: Metal working processes of warm working require an advanced quantitative analysis of dynamic and static recovery of dislocations to control microstructures and crucial shape forming properties. Feasibility of dynamic recovery by thermal glide and static recovery by climb of constricted jogs, applicable to ausforming, nano bulk forming by SPD and normalizing has been addressed to design new steels, used for hulls, and tribologically superior bearings. Predictive dislocation recovery analysis shows …
Published in Journal of Materials & Metallurgical Engineering Read article
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Study on the Response of Strengthening Strategies for Masonry-infilled Open Ground Storey Framed Building
Abstract: The strengthening of reinforced concrete (RC) frame buildings with masonry infill wall and with open ground storey is a very timely and significant topic because of the poor performance against seismic action. The absence of infill walls in the ground storey makes the ground storey less stiff and weaker than the all upper storys which results in a poor performance against lateral loads. Soft storey mechanism prevails in these cases …
Published in Journal of Structural Engineering and Management Read article
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Recognition and Detection of Content in Video Using OpenCV
Abstract: The emergence and continued reliance on the Internet and related technologies has resulted in massive amounts of data that can be analysed. Humans, on the other hand, do not have the cognitive abilities to comprehend such vast amounts of data. Machine learning (ML) is a mechanism that enables humans to process large amounts of data, gain insights into the data's behaviour, and make more informed decisions based on the analysis's …
Published in International Journal of Image Processing and Pattern Recognition Read article
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Compact Fork-shaped Monopole Antenna for Bluetooth, WLAN and Wi-MAX Applications
Abstract: This paper presents a fork-shaped monopole antenna (FSMA) with compact size. The proposed FSMA consisting a fork-shaped radiator and a partial ground plane with L-shaped and rectangular slits. The size of the proposed FSMA is 34 × 18 × 1.6 mm3 which is fed by 50Ω microstrip line. The L-shaped slit is introduced in the ground plane to enhance the bandwidth impedance of the proposed FSMA. The proposed antenna achieved …
Published in Trends in Opto-electro & Optical Communication Read article
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Occupational Exposure to Vibration—Hazards, Evaluation and Control
Abstract: Mechanical vibration is known to cause occupational health hazards. Exposure to vibration has potential to cause musculoskeletal disorders. Chronic exposure to hand-transmitted vibration causes occupational disease like vibration induced white finger (VWF). This article describes the harmful health effects caused due to exposure to hand-transmitted vibration (HTV) and whole-body vibration (WBV) and the control measures to minimize the exposure. Specifically, focus is kept on the evaluation of vibration exposure to …
Published in Journal of Industrial Safety Engineering · Vol. 8, Issue 2, 2021 · pp. 29–35 Read article
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Comparative Study of Soft Soils Characteristics with Cement Waste Dust, Lime Powder and Boiled Rice Water
Abstract: Improvement of soft soil properties and effective pavement system performance of soft soils can be done only by stabilization process. It is an effective method. Jointly or individually, Chemical and/or Mechanical stabilization is done for various soils depending on the nature of that soil. As far as soft soils are concern, they are having reactive nature and so chemical stabilization is the best choice to improve such soil. Mainly, in …
Published in Recent Trends in Civil Engineering & Technology Read article
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Simulation of Electric Vehicles DC Engine Performance
Abstract: This works develops a simulation model to predict the performance of direct current electric motors for electric vehicles (EV), mainly focused on the required power and mechanical torque as a function of the driving conditions. The simulation, therefore, has been based on the dynamic conditions of the electric vehicle to reproduce the current driving in urban routes or intercity travels. The model has been applied to synchronous and asynchronous transmission …
Published in Journal of Automobile Engineering and Applications Read article
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Stiffness Optimization of Control Unit of Vehicle Using Vibration Technique
Abstract: All modern automotive engines are controlled by an ECU. Engine efficiency, combustion, and emission characteristics are all affected by ECU tuning or tune-up. The electrical system in automobiles has evolved over time, and it now incorporates automatic machine control of automotive mechanics. In the beginning, a car’s electrical system consisted solely of primitive wiring technologies for supplying power to other parts of the vehicle. Engine management design specifications for the …
Published in Journal of Automobile Engineering and Applications Read article