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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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Fabrication and Multi scale Characterization of Functionally Graded Composites Reinforced with Hybrid Ceramic–Metallic Phases
Abstract: Using composite materials as functionally graded composites (FGM) can improve its excellent material properties. In this work, magnesium peroxide, silicon carbide, and aluminum are used to create four-layer FGMs. The sintering process, which blends the particles of each material using a powder methodology, has been used to complete the fabrication process. Three factors, including sintering time, sintering temperature, and compacting pressure, are taken into account when fabricating FGM. The FGM …
Published in International Journal of Mechanical Dynamics and Systems Analysis · Vol. 3, Issue 2, 2025 · pp. 1–11 Read article
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Modeling Deformation Mechanisms of Horseshoe Tunnel Excavation In Layered Ground Using Flac 3D
Abstract: In the modern era of civilization, the transportation sector plays a pivotal role in a nation's development. Efficient transportation networks are essential for economic progress, and tunnels are particularly valuable in this regard, as they help reduce travel time and fuel consumption. With growing interest in underground infrastructure, researchers are increasingly focusing on tunnel-related studies. This paper examines the deformational behavior of a horseshoe-shaped tunnel constructed in layered soil, subjected …
Published in Journal of Geotechnical Engineering · Vol. 12, Issue 3, 2025 · pp. 46–61 Read article
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Cancer Chemotherapy-Induced Cachexia: Bridging Mechanisms, Management, and Future Therapies
Abstract: Involuntary weight loss, skeletal muscle atrophy, adipose tissue depletion, anorexia, and systemic inflammation are all symptoms of chemotherapy-induced cachexia, a complex illness. Although it is common, it remains poorly understood and is often referred to as an "orphan disease." This study covers the epidemiology, pathophysiology, clinical symptoms, diagnosis, treatment, and emerging treatment options for chemotherapy-induced cachexia. To comprehend the causes, clinical results, and therapeutic approaches, a literature-based synthesis of recent …
Published in Research and Reviews: A Journal of Pharmacology · Vol. 16, Issue 1, 2026 · pp. 17–26 Read article
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Multi Objective Optimization of Aluminium (AA6061-SiC-Flyash) Metal Matrix Composites using TOPSIS Method
Abstract: Metal Matrix Composites (MMCs) have significant interest due to their superior mechanical properties, including improved strength, hardness, and fracture resistance. This study investigates the optimization of the mechanical and fracture behaviour of casted AA6061-SiC-Fly Ash (FA) MMCs using the TOPSIS method. Silicon carbide(SiC) and fly ash (FA) reinforcements, with different weight percentages of 5%, 10%, and 15% were fabricated through sand casting method. Total 10 combinations of composites are prepared …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 459–469 Read article
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Exploration of Diverse Epoxy-Based Surface Coating Methods for Enhancing Anticorrosion Characteristics
Abstract: Epoxy-based polymers, commonly referred to as polyepoxides, constitute one of the most versatile and widely adopted categories of polymeric materials due to their exceptional structural, mechanical, and chemical characteristics. Their unique macromolecular framework enables strong interfacial bonding, high mechanical stability, and superior resistance to environmental and chemical degradation, positioning them as advanced alternatives to many traditional organic corrosion inhibitors that often fail under prolonged exposure to aggressive conditions When polyepoxides …
Published in Journal of Polymer & Composites · Vol. 14, Issue 2, 2026 · pp. 167–177 Read article
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Computational and Molecular Aspects of DNA Profiling in Forensic and Biomedical Sciences
Abstract: DNA profiling has changed many diverse modern sectors, from health and criminal justice to ancestry research and animal conservation. It is one of the most important scientific instruments of our time. This technique makes it possible to identify people, analyze family relationships, and learn more about biology by looking at unique genetic markers in a person’s DNA. DNA profiling has changed the way forensic science works by making it easier …
Published in Research & Reviews: A Journal of Bioinformatics · Vol. 13, Issue 1, 2026 · pp. 14–18 Read article
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Effect of Thermal Conditions on Microstructure and Mechanical Properties of AA5083 Processed by Equal Channel Angular Pressing
Abstract: A commercial AA5083 with an initial grain size of 210 μm was given an ultrafine-grained structure using the equal channel angular pressing (ECAP) technique under die design as patented. The identical sample underwent two successful passes through the die at 473 K, with each passage causing the sample to rotate 90° along its own longitudinal axis. After just one pressing, the microstructure was comparatively homogeneous. It was made up of …
Published in Journal of Experimental & Applied Mechanics · Vol. 17, Issue 1, 2026 · pp. 49–64 Read article
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Thermo-Mechanical Vibration Analysis of Simply Supported Laminated and Flat Plates Under Harmonic Loading
Abstract: This paper delves into a numerical exploration of the vibration characteristics and frequency response of two types of plates: a simply supported rectangular laminated plate and a simply supported flat plate. These plates are subjected to concentrated harmonic forces within a thermal environment. The determination of the critical buckling temperature guides the assessment of thermal load effects. Analytical formulations, incorporating first-order shear deformation theory (FSDT) to consider shear deformation and …
Published in Journal of Polymer & Composites · Vol. 14, Issue 2, 2026 · pp. 1519–1530 Read article
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Molecular Dynamics and Therapeutic Architectures of Cannabinoid Receptors: A Comprehensive Review
Abstract: Expanding on these foundations, recent structural biology studies using cryo-electron microscopy have provided high-resolution insights into the conformational dynamics of CB₁ and CB₂ receptors. These findings have enabled a more precise understanding of ligand–receptor interactions, particularly how agonists, antagonists, and reverse agonists stabilize distinct receptor states. Such knowledge is critical for rational drug design, allowing researchers to selectively modulate downstream signaling pathways. For instance, CB₁ receptors primarily couple to Gi/o …
Published in International Journal of Cheminformatics · Vol. 4, Issue 1, 2026 · pp. 36–40 Read article
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Molecular and Immunological Study for The Relationship of CMV in Miscarriage in Women with a History of Repeated Abortion in Najaf Governorate
Abstract: The study was conducted in Al-Zahra Hospital for Maternity and Children in Najaf Governorate for the period from 1/8/2024 to 1/1/2025., The stream study directed to establish the occurrence of CMV infectivity in women who experienced of continual miscarriage and perform a analyze of the amount of miscarriage situations arising in the Najaf governorate. The study was divided into two parts. The first part was aiming to determine the frequency …
Published in Research and Reviews : A Journal of Immunology · Vol. 16, Issue 2, 2026 · pp. 1–8 Read article
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Enhancement in Biomedical Polymer Nanocomposites: Biocompatibility and Mechanical Property Predictions using Machine Learning
Abstract: A machine learning (ML)-based framework is developed and validated through experimental analysis and comparative modeling to enhance system dependability and improve prediction performance. The proposed framework includes key stages such as data preprocessing, feature evaluation, model training, and performance benchmarking to determine the most effective prediction technique. Several machine learning models were evaluated, including Ensemble models, Artificial Neural Networks (ANN), Decision Tree (DT), Random Forest (RF), Support Vector Machine (SVM), …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 275–296 Read article
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Investigating mosquito innate immune defence mechanism towards malaria vaccine development
Abstract: Mosquito-borne diseases weigh heavily on public health across the globe. The mosquito’s innate immune system certainly decides whether malaria parasites survive inside the vector, and that sighted it as a logical place to discover new vaccine ideas. In this review, we examine how Anopheles mosquitoes defend themselves against Plasmodium parasites and how those defenses could be turned into tools for malaria control. We focus on three layers of immunity: antimicrobial …
Published in International Journal of Insects · Vol. 3, Issue 1, 2026 · pp. 50–54 Read article
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Recent Advances in Smart Polymer Composites for Plant Health Monitoring: A Strategic Integration of Sensing Mechanisms and Computational Intelligence
Abstract: Plant health assessment is crucial for agricultural production and food security, as plant diseases significantly affect crop yields and quality. This paper reviews the applications of polymers and composite materials in the evaluation of plant health, focusing on both natural and artificial polymers, carbon materials, and polymeric–nanoparticle composite materials. Various types of sensing principles, such as colorimetry, fluorimetry, surface plasmon resonance (SPR), surface enhanced Raman scattering (SERS), and interferometry, are …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 Read article
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Tensile and Flexural Strength Quantification of Basalt-Reinforced Epoxy Composites Fabricated via Vacuum-Assisted Resin Transfer Molding at Varied Fiber Volume Fractions Description
Abstract: Fiber-reinforced polymer composites have been identified to possess excellent properties that render them very suitable in the aerospace, automotive, marine and renewable energy sectors. However, for the industrially scalable vacuum-assisted resin transfer molding (VARTM) process, optimization of mechanical properties of basalt epoxy composites must be achieved systematically, which means that the effect of the fibre volume fraction(VF) on the mechanical properties of the composite needs to be quantified for different …
Published in Journal of Polymer & Composites · Vol. 14, Issue 4, 2026 Read article
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Evaluating the Effect of Carbon Fillers on the Mechanical Properties of Jute and Epoxy Composite Wind Turbine Blades
Abstract: Natural fibers are a sustainable substitute for synthetic materials because of many benefits, which include light weight, biodegradability, renewability, and affordability. An approach to sustainable blade design that shows promise is its use into wind turbine blades. The study focuses on jute/epoxy composite's tensile strength, impact strength, water absorption, void fraction and degradation with carbon fillers and apply in making small wind turbine blades. To fabricate the composites, two jute …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 191–203 Read article
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Nanocomposites of Polyethylene-Closite 20A: Preparation and Characteristics
Abstract: Low-density polyethylene/closite 20A nanocomposites with different organoclay contents were made in the current study by a melt mixing technique with two different compatibilizers of varying contents: low molecular weight oxidized polyethylene and low molecular weight trimethoxysilyl modified polybutadiene. The inclusion of compatibilizers and concentrations of organoclay were analyzed in relation to the mechanical and thermal properties of the nanocomposites. The dispersibility of the silicate clay in the nanocomposites was investigated …
Published in Journal of Nanoscience, NanoEngineering & Applications · Vol. 15, Issue 1, 2025 · pp. 01–12 Read article
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Key Generation Algorithms Using Difference Equations with Multi-Precision Arithmetic: A Review
Abstract: Modern cryptographic systems rely on robust key generation to secure data and communication. This review explores the integration of difference equations and multi-precision arithmetic for cryptographic key generation, addressing limitations in traditional methods like pseudorandom number generators and chaotic systems. Difference equations produce deterministic yet chaotic sequences ideal for cryptography due to their sensitivity to initial conditions and nonlinearity. However, finite precision arithmetic can lead to periodicity and loss of …
Published in Research & Reviews: Discrete Mathematical Structures · Vol. 11, Issue 3, 2024 · pp. 23–36 Read article
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Plant-Derived Fiber-Reinforced Polymer Composites: The Impact of Compatibilizer on the Fundamental Characteristics and Degradation Properties
Abstract: By using compression molding, unidirectional polypropylene (PP) composites reinforced with banana fiber were created both with and without the use of stearic acid (SA) as a coupling agent. Four filler loading levels (10%, 20%, 30%, and 40% by weight) were employed during the composite manufacturing process, using raw banana fiber. The resulting composites underwent mechanical testing (tensile, bending, and impact characteristics). The ideal combination of mechanical properties was found in …
Published in Journal of Materials & Metallurgical Engineering · Vol. 15, Issue 1, 2025 · pp. 27–37 Read article
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Comparison Analysis of Transformer Boosting and Induced Degeneration Topology Design of LNA for Millimeter Wave Frequency Range Using Polymeric Substrates
Abstract: In this study, a comparison between transformer boosting and source degeneration LNA topologies is conducted using two polymeric substrates—Polyimide (PI) and Liquid Crystal Polymer (LCP)—for millimeter-wave (mmWave) applications. With growing interest in flexible and high-frequency electronics, polymeric materials offer unique advantages such as low dielectric constants, mechanical flexibility, and thermal stability. The analysis explores gain, return loss, and noise figure performance while evaluating the influence of dielectric properties on the …
Published in International Journal of Electrical and Communication Engineering Technology · Vol. 3, Issue 2, 2025 · pp. 1–24 Read article
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Design and Characterization of High-Performance Polymer Nanocomposites for Aerospace Applications
Abstract: Polymer nanocomposites have revolutionized aerospace materials through mechanical strength, thermal stability, and lightness. A number of polymer matrices filled with nanofillers such as carbon nanotubes, graphene, and nanoclay considerably improved structural integrity, flame resistance, and environmental adaptability. However, fabrication techniques are still being optimized so that nanofillers are properly dispersed throughout, which may create contradictions between mechanical strength and process ability. This work tries to design and characterize high- performance …
Published in Journal of Polymer & Composites · Vol. 13, Issue 4, 2025 · pp. 178–193 Read article