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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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Thermo-Mechanical and Electrical Properties of Multi-Walled Carbon Nanotube-Enhanced Polyimide Composites for Aerospace Thermal Protection Systems
Abstract: Advanced aerospace thermal protection systems (TPS) require multifunctional materials that simultaneously provide high thermal stability, mechanical strength, and reliable electrical performance. Polyimide (PI) is widely used in aerospace structures due to its lightweight design and exceptional thermal durability, yet its low thermal conductivity and insulating behavior limit its effectiveness in heat dissipation and electromagnetic interference (EMI) shielding applications. This study addresses these limitations by developing multi-walled carbon nanotube (MWCNT)-reinforced polyimide …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 966–982 Read article
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Development of Chilli Pedicle Powder Fiber Reinforced with Palmyra Sprouts for Sustainable Biodegradable Composites and Its Mechanical Characterization
Abstract: The current research study aimed to present the development and mechanical characterization of a novel biodegradable composite material, Chilli Pedicle Powder fiber reinforced with Palmyra sprouts, which might be of significant importance to replace conventionally used synthetic fibers from nature in an eco-friendly way. With rising global needs in sustainable materials in multiple industries, like automotive, construction, and packaging industries, it was required to find an alternative biodegradable source that …
Published in Journal of Polymer & Composites · Vol. 13, Issue 4, 2025 · pp. 433–441 Read article
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A Study to Assess the Effectiveness of Protective Techniques of Facial Pressure Ulcer Among Patients on Non-invasive Mechanical Ventilation in PCCM Department at Pt. B.D. Sharma PGIMS Rohtak
Abstract: The study aimed to assess the effectiveness of protective techniques in preventing facial pressure ulcers among patients on non-invasive mechanical ventilation in the Post-Critical Care Management (PCCM) department at Pt. B.D. Sharma PGIMS, Rohtak. Facial pressure ulcers are a common complication in patients undergoing non-invasive mechanical ventilation, often resulting from prolonged pressure on facial tissues due to mask contact. This descriptive study involved a sample of 60 patients receiving non-invasive …
Published in International Journal of Emergency and Trauma Nursing and Practices · Vol. 3, Issue 1, 2025 · pp. 10–30 Read article
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Study on Evaluation of Mechanical Properties of Kerb Stone Incorporating Polypropylene Material for Enhanced Durability and Performance
Abstract: This study evaluates the mechanical properties of kerb stone incorporating polypropylene (PP) material, to enhance durability and performance. In the wake of increasing environmental concerns and the need for sustainable construction practices, the reuse of plastic waste, particularly polypropylene, has emerged as a promising solution. Polypropylene, known for its durability, resistance to chemical attacks, and low water absorption, offers significant potential when integrated into concrete products. In this research, standard …
Published in Journal of Polymer & Composites · Vol. 13, Issue 5, 2025 · pp. 73–84 Read article
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Molecular Docking Studies of Nyctanthes arbor-tristis Phytochemicals for Targeting TNF Receptor in Arthritis
Abstract: Rheumatoid Arthritis is an autoimmune disorder which results in inflammation. Tumor necrosis factor-alpha (TNF-α) is responsible for the progression of inflammatory arthritis by promoting immune cell activation and cytokine release. The present study explores the potential of bioactive compounds derived from Nyctanthes arbor-tristis (Parijat) in modulating TNF receptor activity through molecular docking. Computational methods were employed to evaluate the binding affinity of selected phytocompounds from N. arbor-tristis against the extracellular …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 3, Issue 2, 2025 · pp. 11–21 Read article
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Integrating Human-Centric Principles into Machine Design: Ergonomic and Safety Enhancements in Mechanical Systems
Abstract: The integration of human-centric design (HCD) principles into mechanical systems has become increasingly critical in contemporary machine design. As machines become more complex and operate within high-interaction environments, the need for design strategies that prioritize human safety, usability, and comfort has intensified. This review explores how ergonomic insights, safety standards, and user experience (UX) considerations influence the physical configuration, control mechanisms, and operational safety of mechanical systems across industrial, healthcare, …
Published in Trends in Machine design · Vol. 12, Issue 2, 2025 · pp. 33–37 Read article
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Integrative Network Biology Analysis of GSE6011 Uncovers Molecular Signatures in Duchenne Muscular Dystrophy
Abstract: Duchenne muscular dystrophy (DMD) is a rare, severe neuromuscular disorder demonstrated by progressive skeletal muscle deterioration and premature mortality. Despite advances in supportive care, no definitive cure exists, highlighting the need to explore novel molecular targets. The current study aimed to uncover key dysregulated genes and molecular pathways in DMD through a dataset-specific network biology approach. Publicly available microarray data (GSE6011) from DMD quadriceps muscle biopsies of 22 patients and …
Published in Research and Reviews : Journal of Computational Biology · Vol. 14, Issue 3, 2025 · pp. 36–48 Read article
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Experimental Analysis of Mechanical Characteristics of Aluminium Matrix Hybrid Composite Using Seashell Powder And Coconut Shell Powder
Abstract: The purpose of this study is to investigate the manufacturing processes and mechanical properties of composites made of marine shell powder, coconut shell powder, and aluminium. In our project, the MMC was made of aluminium with seashell powder and aluminium with coconut shell powder. A stir casting process fabricated the Composite. The composition of aluminium, seashell powder and coconut shell powder varies. According to the criteria established by the American …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 487–494 Read article
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Post-Treatment Methods in Additive Manufacturing: A Review of Mechanical, Thermal, Chemical, and Hybrid Approaches
Abstract: Additive manufacturing, particularly Fused Deposition Modeling (FDM), has become a cornerstone of rapid prototyping and functional part production due to its accessibility and material versatility. However, the inherent layer-by-layer nature of FDM introduces surface roughness, reduced mechanical strength, and anisotropic behavior, which limit its industrial applications. This literature review investigates the impact of chemical post-processing treatments such as solvent vapor smoothing, immersion, and hybrid chemical-thermal methods on the surface quality …
Published in Journal of Experimental & Applied Mechanics · Vol. 16, Issue 3, 2025 · pp. 25–34 Read article
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Experimental Investigation of Water Absorption and Mechanical Behavior of Bamboo Fiber Based Polymer Composites
Abstract: The objective of this research is to assess the suitability of bamboo fibers as a sustainable alternative to synthetic and wood fibers for reinforcing polymer composites. Plant-based fibers, particularly bamboo, offer advantages such as biodegradability, lightweight nature, abundance, and impressive mechanical properties that rival or surpass those of conventional materials. In this study, special focus is placed on the extraction of long fibers from Dendrocalamus giganteus, using a combined mechanical …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 1471–1481 Read article
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Investigation of Mechanical Properties of Banana, Linen and Their Hybrid Reinforced Composite Laminates in Adverse Condition and Analyze Using ML
Abstract: This research investigates the mechanical performance of composite laminates reinforced with banana and linen fibers, focusing on both individual and hybrid fiber combinations. The primary objective is to assess how these natural fiber composites behave under extreme environmental conditions, particularly high humidity and fluctuating temperatures, which are common in aerospace and automotive applications.Key mechanical properties—tensile strength, flexural strength, and impact resistance—are experimentally evaluated to assess the performance and long-term reliability …
Published in Journal of Polymer & Composites · Vol. 14, Issue 2, 2026 · pp. 25–31 Read article
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AI-Driven Prediction of Mechanical and Thermal Properties in Polymer-Based Functionally Graded Composites
Abstract: The proposed architecture of the current paper is an artificial intelligence (AI)-driven model of forecasting mechanical and thermal aspects of polymer-based functionally-graded composites (FGCs). Traditional micromechanical and finite element models, which are practical in homogeneous composites, might not be able to account in nonlinear interaction that is caused by compositional gradient. To overcome the challenge, machine learning (ML) models like artificial neural network (ANN), support vectors regression (SVR), and gradient-boosted …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 70–89 Read article
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Thermal and Mechanical Properties of Zn-Fap Composites
Abstract: The aerospace and automotive industries have experienced a substantial surge in interest in innovative composite systems driven by the ongoing demand for lightweight, high-performance materials. In this study, the mechanical properties of zinc (Zn) matrix composites reinforced with fluorapatite particles (Fap) are examined as a function of thermal treatment. Within the context of this investigation, we endeavoured to create composite materials containing Zinc-Fluorapatite powder. Stir casting was used to produce …
Published in Journal of Polymer & Composites · Vol. 14, Issue 2, 2026 · pp. 1101–1110 Read article
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The Next Era of Molecular Biotechnology: Beyond DNA
Abstract: Molecular biotechnology has advanced much beyond conventional DNA manipulation, into a phase characterised by precision, integration, and invention. This article examines the evolving domain of next-generation biotechnological instruments, encompassing gene editing technologies like CRISPR-Cas systems, synthetic biology, and RNA-based medicines. It shows how these new technologies are changing medicine by making treatments more personalised, making farming more productive by using genetically modified crops, and making industrial processes more environmentally friendly …
Published in International Journal of Molecular Biotechnological Research · Vol. 4, Issue 1, 2026 Read article
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Fundamental Principles of Fluid Behavior and Emerging Trends in Modern Fluid Mechanics Research
Abstract: Fluid behavior forms the foundation of numerous engineering technology and scientific applications, including aerospace flows, energy systems, and environmental processes. This paper presents a comprehensive overview of the fundamental principles governing fluid behavior, with a strong emphasis on their relevance to recent trends in fluid mechanic’s research. Core concepts such as fluid statics, fluid dynamics, and conservation laws are discussed to establish a solid theoretical framework. The study further examines …
Published in Recent Trends in Fluid Mechanics · Vol. 13, Issue 1, 2026 · pp. 14–21 Read article
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Recent Trends in Fluid Mechanics with Emphasis on Aeroacoustics and Flow-Induced Noise Control
Abstract: Fluid mechanics continues to evolve rapidly due to increasing demands in aerospace, automotive, energy, and environmental engineering applications. Recent trends in this field highlight significant advancements in both theoretical understanding and practical implementations, particularly in complex flow phenomena. Among these, aeroacoustics and flow-induced noise control have emerged as critical research areas due to their direct impact on system performance, efficiency, and environmental sustainability. Aeroacoustics deals with the generation, propagation, and …
Published in Recent Trends in Fluid Mechanics · Vol. 13, Issue 1, 2026 · pp. 32–38 Read article
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Effect of Barium Sulphate on Mechanical Properties of Woven Aloe Vera/Flax Reinforced Epoxy Composites
Abstract: Natural fiber-reinforced composites are becoming popular because of their lightweight, eco-friendly, and sustainable nature. Nevertheless, single-fiber composites tend to exhibit poor mechanical performance. This research paper has created a hybrid composite bonded with woven Aloe vera and flax reinforced with an epoxy bond. Barium sulphate (BaSO4) filler was added to further improve the properties. The fibers were subjected to sodium hydroxide (NaOH) to enhance bonding with the matrix and the …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 355–365 Read article
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Structure-Property Correlation in PTT/PP Blends with Improved Mechanical Performance
Abstract: The present work investigates a series of poly (trimethylene terephthalate) (PTT)/polypropylene (PP) blends prepared with varying PP concentrations in order to improve the overall performance of PTT, particularly with respect to mechanical properties and processability. PTT is a promising engineering thermoplastic owing to its balanced stiffness, resilience, and chemical resistance; however, its relatively high cost and processing limitations often restrict its wider application. In this context, blending with PP offers …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 90–98 Read article
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Copper Sulfide Semiconducting Nanoparticles for Antibacterial Applications: Synthesis Strategies, Mechanisms and Performance – A Review
Abstract: Copper sulfide nanoparticles (CuS NPs) have drawn growing attention as a next-generation antibacterial platform, owing to their tunable structural, optical, and catalytic properties. This review consolidates current evidence on CuS NP synthesis, mechanisms, and antibacterial performance, comparing chemical and green synthesis routes alongside the effects of morphology, doping, and surface modification. Mechanistically, CuS NPs act through several overlapping pathways, including reactive oxygen species generation, bacterial membrane disruption, ion release, and …
Published in Journal of Polymer & Composites · Vol. 14, Issue 4, 2026 Read article
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Studies on Mechanical, Optical, Barrier Properties and Characterization of LDPE-PLA Blend Films with Micro Clay
Abstract: Low density poly ethylene (LDPE) and Poly lactic acid (PLA) in the ratio of 70:30 wt% were blended along with ethylene glycidyl meth acrylate (EGMA) as compatibilizer (2.5%), benzophenone as photodegradable additive (1%) and microclay (1,3,5%) as filler. Blending took place in a twin-screw extruder and then the resulting blend was processed into a film using blown film extrusion. Mechanical, optical, barrier and degradative properties of film were tested as …
Published in Journal of Polymer & Composites Read article