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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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Polymer Composite-Supported Jackfruit Peel Adsorbent for Enhanced Copper (II) Removal from Wastewater: Batch Equilibrium and Isotherm Analysis
Abstract: The increasing concern of disposal of copper-containing effluents into the environment has led to heightened interest in designing cost-effective, eco-friendly and scalable adsorbent systems. Traditional metals and synthetically engineered sorbents prove to be effective; however, these systems are energy intensive. Agricultural residues entrapped in polymer composite systems constitute an economically feasible solution to this environmental challenge. This work reports on the design, characterization and performance evaluation of an economical adsorbent …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 375–390 Read article
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Study of Electrically Conductive Polymer for Antistatic and Sensor Application
Abstract: Electrically conductive polymers (ECPs) are a unique category of smart materials that integrate the mechanical flexibility and ease of processing characteristic of conventional polymers with the electrical conductivity typically associated with metals or semiconductors. In recent years, they have attracted considerable interest due to their promising potential in advanced technological applications, especially in antistatic coatings and electronic sensing devices. The unique ability of these polymers to conduct electricity arises from …
Published in International Journal of Minerals · Vol. 3, Issue 1, 2026 · pp. 46–51 Read article
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Polymers and others Advance Materials: A State-of-the-Art Review
Abstract: Developing emerging technologies requires pushing the boundaries of material science. Right now, conventional neat polymers simply do not last long enough in the field. They suffer from sudden mechanical failure, struggle with thermal instability, and throwaway disposal methods have created a massive environmental crisis. To tackle these exact issues, this review provides a critical evaluation of two rapidly growing solutions: sustainable bio-composites and self-healing polymer systems. Rather than offering a …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 108–119 Read article
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Microbially Modified Sustainable Cementitious Composites Using Industrial Ash Fillers
Abstract: The growing demand for sustainable, durable construction materials has driven the development of bio-engineered cementitious composites incorporating industrial by-products and self-healing mechanisms. This study investigates a microbially modified cementitious composite that integrates industrial ash fillers with bacteria-based self-healing technology to enhance mechanical performance and microstructural integrity while reducing cement consumption. Cement was partially replaced with industrial ash at 20%, 30%, and 40% replacement levels, and a uratolytic bacterial strain (Bacillus …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 331–350 Read article
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Integrated DIPlib and OpenCV Framework for Precise Geometric Characterisation of Woven Fibre-Reinforced Polymer Composites
Abstract: The mechanical properties of woven fibre-reinforced polymer (FRP) composites stem entirely from the geometrical regularity inherent in their reinforcement structure. Changes in the size of the unit cell, fibre tow separation, weave angle, and fibre tow spacing will have an immediate effect on the stiffness and shear modulus of the material. In this paper, a combined machine vision system that incorporates both the OpenCV and DIPlib libraries is proposed for …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 158–171 Read article
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A Study on Fracture Sem Analysis by Optimization of FSW When a Composite Material Al 6061 Mixed with Fly Ash is Done with Cooper Using Anova Method
Abstract: The current study aims to examine how different parameters in friction stir spot welding influence hardness and tensile strength, while identifying the most suitable parameter combinations to enhance the overall quality of the fabricated components. The experimental work involves joining dissimilar materials, where one specimen consists of Aluminum alloy 6061 reinforced with 10% fly ash, and the other is a copper alloy. Various process conditions are altered during testing to …
Published in International Journal of Fracture Mechanics and Damage Science · Vol. 4, Issue 1, 2026 · pp. 1–5 Read article
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Photonic-Assisted Spintronic Solid-State Switching Model for High-Speed Memory Devices
Abstract: The rapid advancement of high-speed computing and data-centric applications has intensified the demand for energy-efficient and ultra-fast memory technologies. This paper proposes a Photonic-Assisted Spintronic Solid-State Switching Model for next-generation high-speed memory devices. The proposed framework integrates photonic excitation mechanisms with spintronic switching dynamics to enhance data transfer speed, minimize switching delay, and reduce power dissipation in solid-state memory architectures. By combining optical pulse-assisted spin polarization with magnetic tunnel junction-based …
Published in International Journal of Solid State Innovations & Research · Vol. 4, Issue 1, 2026 Read article
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Pharmacodynamics and Drug–Receptor Interactions: Integrating PK/PD Modeling with Modern Drug Development
Abstract: Understanding drug action requires an integrated perspective of pharmacodynamics and pharmacokinetics, which together determine therapeutic efficacy and safety. This review provides a comprehensive overview of the mechanisms underlying drug action, with particular emphasis on drug–receptor interactions and their role in modulating physiological responses. Drugs exert their effects primarily through interactions with specific biological targets, including receptors, enzymes, ion channels, and transporters, resulting in a spectrum of desired and adverse outcomes. …
Published in Research and Reviews: A Journal of Pharmacology · Vol. 16, Issue 2, 2026 Read article
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Nutrient Sensing and Microbiota Crosstalk: Driving Determinants Shaping Metabolic Stability and Adaptive Physiology for Animal Health
Abstract: Nutrient sensing is a fundamental cellular process that enables animals to adapt to fluctuating dietary inputs while maintaining metabolic homeostasis and health. Recent advances reveal that the gut microbiota functions as an active metabolic partner, producing bioactive metabolites that directly influence host nutrient-sensing pathways and downstream cellular responses. This review synthesizes current knowledge on the integration of key signalling networks, including adenosine monophosphate activated protein kinase (AMPK), mechanistic target of …
Published in International Journal of Molecular Biotechnological Research · Vol. 4, Issue 2, 2026 Read article
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A Constraint-Driven Generative Design Methodology for Modular Actuated Robotic Components in Decentralized Manufacturing
Abstract: This work formalizes a constraint-driven generative design framework for actuator-integrated robotic components intended for decentralized additive manufacturing. Conventional topology optimization typically prioritizes structural efficiency while treating actuator integration, modular interfaces, and fabrication constraints as secondary considerations. In contrast, the proposed methodology encodes these requirements as first-order geometric and mechanical constraints prior to automated material redistribution. The framework defines preserved actuator geometry, bounded design envelopes, representative loading abstractions, and manufacturability-aware domains …
Published in International Journal of Robotics and Automation in Mechanics · Vol. 4, Issue 1, 2026 Read article
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Comprehensive Review of the Fundamental and Functional Properties of Crystalline Materials
Abstract: Crystalline materials, characterized by their highly ordered atomic arrangements, serve as the backbone of modern engineering and technology. This review provides a detailed examination of their diverse properties, categorized into mechanical, thermal, electrical, and optical domains. We analyze fundamental mechanical parameters such as the elastic modulus, yield strength, and fracture toughness, alongside functional behaviors like fatigue and creep. The discussion extends to thermal transport and expansion, electrical conductivity and resistivity, …
Published in International Journal of Crystalline Materials · Vol. 3, Issue 1, 2026 · pp. 20–24 Read article
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Phosphorescence of Carbon Nanodots – The Phenomena and the Applications
Abstract: Photoluminescence has emerged as a fundamental phenomenon in modern biomedical science, enabling advanced diagnostic, therapeutic, and theranostic applications through light–matter interactions at the nanoscale. The ability of photoluminescent materials to absorb electromagnetic radiation and emit light at distinct wavelengths has been widely exploited in bioimaging, biosensing, drug delivery tracking, and photodynamic therapy. Among various photoluminescent nanomaterials, carbon nanodots have attracted significant attention due to their strong emission intensity, tunable fluorescence, …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 4, Issue 1, 2026 · pp. 01–05 Read article
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Muscle vs. Heart: A Comprehensive Review of Anabolic Steroid-Induced Cardiovascular Risks
Abstract: Anabolic-androgenic steroids (AAS) are widely used by athletes and bodybuilders to enhance muscle mass and performance. However, their misuse is associated with serious and often underrecognized cardiovascular risks. Despite their popularity, particularly among young adults, the long-term consequences of AAS abuse on cardiovascular health remain insufficiently explored in the literature. This review aims to: 1. Analyze the cardiovascular implications of AAS use. 2. Elucidate the molecular and physiological mechanisms contributing …
Published in International Journal of Toxins and Toxics · Vol. 3, Issue 2, 2026 Read article
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A Review on Hybrid Inorganic–Polymer Analog Nanocomposites Incorporating Pozzolanic Wastes and nano-Additives
Abstract: The recent progress of polymer matrix nanocomposites (PMNCs) reveals that the performance of matrix and filler is at the core of matrix–filler interaction, interfacial bonding, and well-controlled distribution of nanoscale reinforcements. Applying these concepts, we consider inorganic particulate systems as hybrid nanocomposites, in which a discontinuous inorganic matrix is effectively reinforced via synergistic co-incorporation of pozzolanic wastes and nano-additives. In the composite system described above, silica-, alumina-rich pozzolanic materials serve …
Published in Journal of Polymer & Composites · Vol. 14, Issue 4, 2026 · pp. 131–141 Read article
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Sustainable Carbon Materials for Catalysis, Energy Conversion, and Environmental Remediation
Abstract: Among the most ancient and adaptable materials used by humans, carbon finds use in a wide range of industries, including electronics, energy production, medicine, water purification, air filtration, and catalysis. Among them, activated carbon's highly developed microporous structure, remarkably large specific surface area, and adjustable surface functions have drawn a great deal of attention from both science and industry. Activated carbon materials have been widely used as molecular sieves, adsorbents …
Published in Emerging Trends in Chemical Engineering · Vol. 13, Issue 2, 2026 · pp. 47–52 Read article
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Comparative Analysis of Polymer-Enhanced and Conventional Magnetorheological Fluids in E-Bicycle Semi-Active Suspension
Abstract: In light of the increased use of electric bicycles as a sustainable transport means, various mechanical challenges emerge which were absent in traditional bicycles, primarily concerning vibration isolation and riding comfort. Indeed, hub motors, batteries and the entire drivetrain system produce dynamic excitations which passive suspension cannot handle effectively. This paper presents a comparison of conventional magnetorheological (MR) fluid and the polymer-based MR nanocomposite fluid within the context of semi-active …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 Read article
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IoT-Connected Transparent Conductive Polymer–Silver Nano-wire Electrodes for Real-Time Performance Monitoring of Flexible Solar Panels
Abstract: Flexible photovoltaic technologies have emerged as promising energy harvesting solutions for wearable electronics, portable power systems, and Internet of Things (IoT)-enabled smart devices. However, the limited mechanical durability of conventional transparent conductive electrodes and the lack of integrated real-time monitoring restrict their long-term reliability. This study presents an IoT-connected transparent conductive polymer–silver nanowire (PEDOT:PSS–AgNW) hybrid electrode for flexible solar panels, combining high optoelectronic performance with continuous wireless performance monitoring. The …
Published in Journal of Polymer & Composites · Vol. 14, Issue 5, 2026 Read article
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Harnessing Bacteria for Next-Generation Data Storage Technologies – A Review
Abstract: The exponential increase in global digital information has created a pressing need for storage technologies that are more durable, compact, and sustainable than conventional electronic media. While hard drives, solid-state drives, and cloud-based systems have transformed information management, they face severe limitations related to storage density, energy consumption, maintenance costs, and long-term preservation. Researchers have, therefore, begun exploring biological systems as alternative information storage platforms. Among these, bacteria have emerged …
Published in International Journal of Molecular Biotechnological Research · Vol. 4, Issue 2, 2026 Read article
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Role of Electron Donors in MgCl2 Supported Ziegler-Natta Catalysis: DFT Approach
Abstract: An insight into the nature of carbonate-based electron donors in high-activity MgCl2 supported Ziegler-Natta (Z-N) catalysts has been studied and compared with conventional phthalate and diether systems by employing density functional theory (DFT) calculations. In the catalyst activation (one of the important processes to produce the active catalyst sites), the conventional monometallic and recently characterized bimetallic (TiCl2(Et)–Cl–AlEt2) active site are studied in the presence/absence of electron donors. These active sites …
Published in Journal of Modern Chemistry & Chemical Technology · Vol. 16, Issue 2, 2025 · pp. 51–81 Read article
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Host Invasion to Immune Evasion: Emerging Concepts in Pathogen Virulence Strategies
Abstract: The interaction between hosts and pathogens represents a continuous evolutionary struggle, shaping both microbial virulence and host immunity. Pathogens employ diverse strategies to evade immune surveillance, ranging from antigenic variation and molecular mimicry to hijacking of host immune checkpoints. Simultaneously, hosts refine innate and adaptive immune mechanisms to counteract infection and limit damage. This reciprocal adaptation, known as host–pathogen coevolution, influences pathogen persistence, transmission, and fitness, while also sculpting immune …
Published in International Journal of Pathogens · Vol. 3, Issue 1, 2026 Read article