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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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A Brief Review on Interfaces of Copper Welded to Different Materials
Abstract: In engineering applications, three metals with high conductivity are primarily used such as copper (Cu), aluminium (Al), and silver (Ag). Each has its unique set of properties that affect specific engineering applications. Infact the choice of conductor depends on a mixture of cost, technical parameters, and environmental conditions. Among these, Copper is widely valued in engineering applications due to its antimicrobial property, excellent electrical (about 100% IACS) and thermal conductivity, …
Published in Trends in Mechanical Engineering & Technology · Vol. 16, Issue 1, 2026 · pp. 25–36 Read article
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Lab Reagents and Their Importance in Bio-chemistry
Abstract: Biochemical reagents are essential substances in the study of life at the molecular level. These reagents help scientists detect, identify, and quantify bio-molecules such as proteins, carbohydrates, nucleic acids, and enzymes in biological systems. They play a vital role in understanding metabolic reactions and physiological processes within living organisms. Biochemical reagents are generally classified into analytical, diagnostic, enzymatic, chromogenic, and buffer reagents, each serving a specific purpose in laboratory and …
Published in Research and Reviews : A Journal of Biotechnology · Vol. 16, Issue 1, 2026 Read article
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Structure-Property-Process Relationships in BNNS-Modified PEEK Nanocomposites for High-Performance Applications
Abstract: This study reports the design and performance evaluation of boron nitride nanosheet (BNNS)-reinforced polyetheretherketone (PEEK) nanocomposites fabricated using melt compounding and high-temperature Fused Filament Fabrication (FFF). PEEK, a high-performance thermoplastic, was reinforced with BNNS at 0.5–5wt.% to enhance mechanical, thermal, and tribological functionalities for advanced engineering use. Composite filaments were extruded and printed using a modified Bambu Lab FFF printer. Mechanical testing revealed a peak tensile strength of 108 MPa …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 867–888 Read article
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Unification and DC Conductivity of PDMS/NiNPs Nanocomposite
Abstract: The DC conductivity of nickel nanoparticles–polydimethylsiloxane (NiNPs–PDMS) composite materials has attracted considerable attention due to their promising applications in flexible electronics, sensors, and energy storage devices. The electrical performance of these composites is largely governed by the formation of conductive networks within the insulating polymer matrix. Incorporating nickel nanoparticles into PDMS introduces conductive pathways that significantly enhance DC conductivity once a critical percolation threshold is reached.Several key factors influence the …
Published in Research & Reviews : Journal of Physics · Vol. 15, Issue 1, 2026 Read article
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Design and Computational Analysis of Hybrid Carbon Fiber-Enhanced Metal Matrix Composite Spur Gears
Abstract: The automobile industry has to find the alternative solution for steel grade gears to overcome the weight to high strength ratio and thermal consideration with high damping properties. This study describes the design, FEM analysis, and performance evaluation of three new hybrid composite spur gears: a monolithic carbon fiber/epoxy (80/20 weight percent) composite (A), and two hybrids with steel (B) and aluminum (C) matrices (64% CF, 21% Epoxy, 15% metal). …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 158–172 Read article
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ML Model Comparison for Sentiment Analysis Across Diverse Datasets
Abstract: Analyzing sentiment is crucial for understanding public opinion on various issues in marketing, politics, and social sciences. This study compares the performance of seven different machine learning algorithms for sentiment classification, focusing on their effectiveness, accuracy, and complexity. The research is conducted on a pre-processed dataset with balanced text samples, utilizing feature extraction methods such as Term Frequency-Inverse Document Frequency (TF-IDF). The performance assessment criteria consist of accuracy, precision, recall, …
Published in Journal of Operating Systems Development & Trends · Vol. 12, Issue 2, 2025 · pp. 26–33 Read article
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A Review on Properties of Natural Fiber Reinforced Composite Materials for Automotive Application
Abstract: The use of composite polymer matrix materials is growing rapidly in automotive, marine and aerospace applications due to their light weight and recyclable properties. In the automotive industry, the use of polymer matrix for interior panels, trims, exterior panels and fender assemblies is rapidly increasing in the 21st century. It also stimulates the use of polymer compounds reinforced by natural fibers. Natural fiber polymer composites are a growing industry due …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 915–922 Read article
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Graph Theoretic Analysis of Cyclodextrin Polymers
Abstract: Topological indicators in chemical graph theory are essential tools in cheminformatics, providing valuable insights into molecular structure and properties to make more accurate predictions about the behavior and efficacy of novel compounds in drug design. The macro molecules are correlated with certain derivatives. The derivatives are growing structures which depends on the cyclic structures. The Cyclodextrin is one of the cyclic structures which depends on the carbon atoms. The polymer …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 997–1006 Read article
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Characterization of Bamboo-Fiber Reinforced Geopolymer Composites
Abstract: In this project, we plan to produce and assess a new, eco-friendly composite made from geopolymer (from a combination of fly ash and GGBFS), strengthened with chemically treated bamboo fibres for retrofitting earthquake-resistant buildings. Geopolymer is produced by activating a mixture of fly ash and GGBFS with sodium silicate and sodium hydroxide solutions. We have produced and analyzed bamboo fibre-reinforced geopolymer composites as potential materials for seismic retrofitting of structures …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 1007–1025 Read article
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A Retrospective Analysis of Resin-Based Polymer Composites and Bioactive Glass-Polymer Hybrids Regarding Secondary Caries and Durability
Abstract: Aim- To compare the 2-year clinical survival and failure modes of a Resin-Based Polymer Composites and BioactiveGlass-Polymer Hybrids in Class I and II posterior restorations. Methods-A total of 550 restorations were placed in adult patients across various private dental practices in India to ensure a diverse clinical demographic. Teeth were randomly assigned and restored with either a hybrid composite (Te-Econom, IvoclarVivadent; n=275) or a Resin-Modified Glass Ionomer Cement (GC Gold …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 1089–1095 Read article
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Next-Generation Lightweight Nanocomposite Structures for Electric Mobility
Abstract: The rapid expansion of the electric vehicle (EV) sector has intensified the demand for battery enclosures that are lightweight, mechanically strong, thermally stable, and environmentally sustainable. This research focuses on the design and sustainable fabrication of hybrid nanocomposites for advanced EV battery housings. The proposed material system integrates carbon fiber, glass fiber, and graphene nanoplatelets within a bio-based epoxy matrix, resulting in improved mechanical strength, enhanced thermal stability, and superior …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 1147–1156 Read article
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Clinical Medicine Done with Clinical Accuracy
Abstract: The advancement of clinical medicine has progressively underscored the significance of accuracy in diagnosis and therapy. This article examines the concept of "Clinical Medicine Administered with Clinical Precision," emphasising how innovations in diagnostics, data analytics, and personalised treatments are transforming the healthcare environment. Clinicians can provide therapy that is not only successful but also personalised to each patient's requirements by combining evidence-based practices with patient-specific factors including genetic profiles, comorbidities, …
Published in Emerging Trends in Personalized Medicines · Vol. 3, Issue 1, 2026 · pp. 6–19 Read article
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Paternal Pre-Pubertal Smoking: Small RNAs, Lasting Marks, and the Hidden Legacy of Early Exposure
Abstract: While the negative effects of maternal smoking during pregnancy are well-established, the lasting and transgenerational impact of paternal pre-pubertal smoking remains a critical, underexplored area. Emerging evidence in sperm epigenetics suggests that cigarette exposure during early male development may create persistent molecular imprints that can affect the health of future offspring. This phenomenon is rooted in the fact that heredity extends beyond the DNA sequence. Sperm carry a complex epigenetic …
Published in Emerging Trends in Personalized Medicines · Vol. 3, Issue 1, 2026 · pp. 1–5 Read article
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Nanoparticle Chemistry: The Synthesis, Properties and Applications of Polymer and Macromolecule-Based Nanoparticles and Their Composites
Abstract: Nanoparticles have arisen as a transformative branch of materials in chemistry, owing to their unique physicochemical and biological properties that vary from their bulk materials. Various synthesis techniques, including physical (e.g., laser ablation), chemical (e.g., sol-gel, co-precipitation) and biological (e.g., microbial or plant-mediated) approaches, offer control over particle size, shape and surface characteristics. These methods influence the optical, electronic, catalytic and mechanical properties of nanoparticles. Nanoparticles can exhibit high surface …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 1236–1247 Read article
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Vitamin D Mitigates Inflammation and Downregulates Importin α3 in Non-Alcoholic Fatty Liver Disease (NAFLD)
Abstract: Non-alcoholic fatty liver disease (NAFLD) affects about one-third of the population in the United States and Western countries, reaching up to 90% among obese individuals and those undergoing bariatric surgery. Characterized by hepatic fat accumulation, NAFLD progresses from simple steatosis to non-alcoholic steatohepatitis (NASH), fibrosis, and, in rare cases, hepatocellular carcinoma. Linked intricately with metabolic syndrome, including diabetes and obesity, NAFLD development involves insulin resistance and hyperinsulinemia. Experimental evidence consistently …
Published in International Journal of Cheminformatics · Vol. 4, Issue 1, 2026 Read article
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Enhancing Cyber Security in the Banking Sector Using Biometrics
Abstract: The fast-paced digital evolution within the banking industry has led to a substantial rise in the number of financial transactions conducted through online and mobile platforms. While this transformation has improved customer convenience and service accessibility, it has also exposed banking systems to a wide range of cyber threats, such as identity theft, phishing attacks, credential compromise, and financial fraud. Conventional authentication mechanisms, including passwords and personal identification numbers (PINs), …
Published in International Journal of Wireless Security and Networks · Vol. 4, Issue 1, 2026 · pp. 15–20 Read article
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Effect of Ply Orientation on Thermal Erosion and Conductivity of Silica Phenolic Composites Under Oxy-Acetylene Flame
Abstract: The thermal and erosion performance of fiber-reinforced composites is highly sensitive to fiber architecture, matrix chemistry, and processing techniques, factors that have shaped development of advanced thermal protection systems (TPS) over past two decades. Silica phenolic (SP) composites, in particular, are widely employed in aerospace and defense applications due to their flame resistance, char stability, and ability to withstand severe thermal shock. However, optimizing thermal conductivity while improving erosion resistance …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 273–283 Read article
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Application of Proportional-Share with Punishment Principle for Resource Sharing in Parallel Computing Applications
Abstract: Efficient resource sharing is a cornerstone of high-performance parallel computing. While proportional-share scheduling has long been a foundational approach for distributing resources according to predefined weights, its effectiveness can be compromised by tasks that over-consume their allocated share, leading to system-wide performance degradation and unfairness. This review article investigates the application of the “Proportional-Share with Punishment” (PSWP) principle, a hybrid scheduling paradigm designed to address this challenge. PSWP integrates the …
Published in Recent Trends in Parallel Computing · Vol. 13, Issue 1, 2026 Read article
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Review on the Efficacy of Ayurvedic Formulations in Diabetes Management
Abstract: Diabetes mellitus is one of the most prevalent metabolic disorders globally, characterized by persistent hyperglycemia resulting from defects in insulin secretion, insulin action, or both. It leads to serious complications affecting the cardiovascular, renal, and nervous systems, imposing a significant health and economic burden. In Ayurveda, diabetes is described as Madhumeha, a subtype of Prameha, primarily caused by the vitiation of Kapha dosha, Meda dhatu (fat metabolism), and Agnimandya (impaired …
Published in Research and Reviews : A Journal of Ayurvedic Science, Yoga and Naturopathy · Vol. 13, Issue 1, 2026 · pp. 16–22 Read article
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Quorum Sensing and Biofilm Dynamics in Pathogens: An Evolving Frontier in Infectious Disease
Abstract: Bacterial and fungal pathogens rarely act as solitary invaders. Instead, they engage in sophisticated chemical communication known as quorum sensing (QS) to coordinate population-wide behaviours and construct structured, multicellular biofilm communities. These biofilms, composed of extracellular polymeric substances, not only facilitate microbial persistence on biotic and abiotic surfaces but also confer remarkable protection against host immune defenses and antimicrobial therapies. QS systems act as central regulators of biofilm dynamics, orchestrating …
Published in International Journal of Pathogens · Vol. 3, Issue 1, 2026 · pp. 18–23 Read article