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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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Comparative Analysis of Polyethylene Terephthalate Based Blended Lean Mortar Mixes by Applying Mathematical Simulations and Regression Approach
Abstract: Currently, construction manufacturing units need an abundant number of non-renewable resources rising in the quarrying of natural strata, producing a disparity in our precious environment. Besides this, a plentiful amount of waste material like plastic waste in several forms such as solid, filler, etc., is generated gradually. Therefore, efficient sustainable disposal seemed like a threatening mission across the world. To mitigate the issue, in the present investigation, fine aggregate (sand) …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 60–70 Read article
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Parametric Study of Fiber-Reinforced Concrete with Partial Cement Substitution Using Fly Ash and Rice Husk Ash
Abstract: This research aims to evaluate the impact of incorporating steel fibers [SF] and partially substituting cement with rice husk ash [RHA] and fly ash [FA] on the properties of concrete. SF were added in different volume fractions [0%, 0.25%, 0.5%, 0.75%, and 1.0%], combined with 10% RHA and 20% FA. Initially, the concrete mix contained 30% FA with no RHA, which was then adjusted to a mix of 15% FA …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 171–180 Read article
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Behaviour of Tri-Directional Advanced Composite Beam Using Finite Element Method
Abstract: The present work shows the modal analysis of tri-directional advanced composite beams using the finite element method. The mechanical parameters of the beam are supposed to vary in the direction of beam length (x), width (y), and thickness (h). In this work material parameters are assumed to vary according to the exponential rule of functionally graded material. To authenticate the accuracy of the present work, the result with a particular …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 610–620 Read article
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Antimicrobial Peptides and Bacteriophages as Next-Generation Alternatives to Conventional Antibiotics
Abstract: The growing threat of antibiotic-resistant bacteria has underscored the urgent need for innovative alternatives to conventional antibiotics. Antimicrobial peptides (AMPs) and bacteriophages are gaining recognition as next-generation therapeutics due to their distinct mechanisms of action and ability to target resistant pathogens effectively. AMPs, which can be natural or synthetic, disrupt microbial membranes and offer broad-spectrum antimicrobial activity with a reduced likelihood of resistance development. Bacteriophages, as bacteria-specific viruses, provide precise …
Published in International Journal of Antibiotics · Vol. 2, Issue 1, 2025 · pp. 9–27 Read article
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Structural Health Monitoring of Polypropylene Fiber- Reinforced Composite Using Accelerometer Sensors
Abstract: This study explores the application of accelerometer sensors for structural health monitoring (SHM) in evaluating the performance of polypropylene fiber-reinforced composites (PFRC). Incorporating polypropylene fibers into concrete enhances its structural integrity and durability. However, accurately assessing PFRC behavior under various conditions is crucial for its practical application in construction. This research employs advanced accelerometer sensor technology for real-time monitoring and assessment of PFRC performance. Experimental investigations captured and analyzed the …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 621–634 Read article
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The Examination of Design and Weight Optimization for a Light Motor Vehicle (LMV) Drive Shaft through the Utilization of a Composite Material Composed of Aluminum and Glass Fiber (Al + GF)
Abstract: Aluminum is primarily used in Metal Composites because of its lighter weight and higher strength. Glass fibers are wound around an aluminum shaft to create the composite. ANSYS results determine the relative amounts of aluminum and E-glass fiber in each shaft. The purpose of this study is to use a torsion test to evaluate the mechanical performance of a composite shaft composed of aluminum and glass fiber. The results are …
Published in Journal of Experimental & Applied Mechanics · Vol. 15, Issue 3, 2024 · pp. 1–17 Read article
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Understanding the Corrosion Behaviour of Graphite in Peat Environment for Environmental and Sustainability Applications
Abstract: Graphite, which is one of the most remarkable carbon materials for industrial applications, is a heat exchanger component material in the phosphoric acid industry, bipolar layer or electrode material in vanadium redox flow batteries, electrode material for advanced oxidation processes, electrode material for lead-acid batteries, electrode material in fuel cells and microbial fuel cells, and more interesting, as moderator or core material in nuclear reactors used. Corrosion, one of the …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 728–737 Read article
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A Comparative Study on Formaldehyde Detection Capabilities in Pristine Graphene and Ag-doped Graphene Sheet
Abstract: The present work concerns a detailed investigation of the enhanced formaldehyde (also known as methanal) detection by decorating the pristine (or bare) graphene nanosheet with silver (Ag) nano-particle (or foreign Ag atom). The bare graphene sheet was exposed to the formaldehyde vapor forming the formaldehyde-adsorbed pristine graphene sheet (taken as Case-I), and whose results were studied and compared with the outcomes obtained from the formaldehyde-adsorbed Ag-decorated graphene sheet (taken as …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 801–809 Read article
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Exploring the Therapeutic Potential of Phytohormones: Bridging Plant Immunity and Human Health
Abstract: This review highlights the multifaceted roles of phytohormones, including salicylic acid, abscisic acid, cytokinins, and brassinosteroids, emphasizing their contributions to plant immunity and potential therapeutic applications in human health. Phytohormones are critical regulators of plant growth, development, and defense, functioning as signaling molecules that activate and coordinate plant responses to biotic and abiotic stresses. Salicylic acid, in particular, is instrumental in systemic acquired resistance (SAR), a defense mechanism that strengthens …
Published in International Journal of Trends in Horticulture · Vol. 1, Issue 2, 2024 · pp. 20–23 Read article
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Quantification of Snow/Glacier Melt Impacts of Historical and Future Climate Change on Eastern Himalayan River
Abstract: Millions of the population on Eastern Himalayan Rivers (EHR) totally depend on, domestic use, agriculture, and hydropower. Several studies found that climate warming threatens this EHR's hydrological regime. In order to understand the hydrologic response of their headwaters and how climate change affects streamflow, a hydrological modeling study is conducted in the Teesta River Basin (TRB) in EHR using an open-source Quantum Geographical Information System (QGIS) with semi-distributed QSWAT1.5 (Soil …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 508–524 Read article
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Evaluation of AGO Adsorption Rate Isotherms Using Adsorbent Formulation of Plantain Agbagba1 and Clay of Different Mix Ratio in Pollutant Remediation in Salt Water
Abstract: The application of some agro-based materials in combination with day soil, for the production of adsorbents were investigated in relationship to their performance in AGO (Diesel) treatment in a batch process unit. The research allows the model concept of Langmuir isotherm, Frundlich isotherm and Temkin Isotherm for the determination of the adsorption rate of the various isotherms with respect to the effect of the particle size and the mixed ratios …
Published in International Journal of Pollution: Prevention & Control · Vol. 2, Issue 2, 2024 · pp. 31–42 Read article
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Epidermolysis Bullosa and Its Role in Cervical Cancer: An Overview
Abstract: Epidermolysis Bullosa is a group of uncommon genetic disorders that primarily affect the skin and mucous membranes. It is marked by severe skin fragility and the formation of blisters even after minor trauma. Traditionally, the focus of Epidermolysis Bullosa research has been on its dermatological manifestations, which include recurrent blistering, scarring, and the potential for infections due to the compromised skin barrier. However, recent advancements in Epidermolysis Bullosa research have …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 2, Issue 2, 2024 · pp. 14–18 Read article
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Smart Air Filtration Systems for Cities: A Technological Approach to Reducing Urban Pollution
Abstract: Urban air pollution is considered one of the main ecologically critical issues of the 21st century since it threatens citizens' health through respiratory diseases, pathologies of the cardiovascular system, and even premature death. Regarding an extremely high level of pollution in large cities, it becomes necessary to realize technological solutions which could avoid the negative impact of this phenomenon. Smart air filtration systems have emerged as promising solutions for urban …
Published in International Journal of Environmental Noise and Pollution Control · Vol. 2, Issue 2, 2024 · pp. 27–42 Read article
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Frequency of Failed Spinal Anesthesia and Associated Factors in Cesarean Section at Mardan Medical Complex, Mardan, KP, Pakistan
Abstract: Objective: Spinal anesthesia is the preferred choice of anesthesia for parturients having cesarean sections. Despite the high percentage of success in providing acceptable surgical anesthesia, failure of spinal anesthesia has been reported. This study aims to determine the frequency and associated factors related to failed spinal anesthesia during cesarean sections in pregnant women. Methodology: This descriptive cross-sectional study included 149 pregnant women and was conducted at Mardan Medical Complex (MMC) …
Published in International Journal of Women's Health Nursing And Practices · Vol. 2, Issue 2, 2024 · pp. 1–9 Read article
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Performance Evaluation of Geopolymer Coconut Shell Concrete: A Comparative Study with Conventional Concrete
Abstract: The increasing demand for sustainable construction materials has driven the exploration of alternative aggregates such as coconut shells in geopolymer concrete. This study investigates the characteristics and performance of Geopolymer Coconut Shell Concrete (GPCSC) and compares it with traditional Geopolymer Conventional Concrete (GPCC). Both mixes were evaluated for workability, density, and compressive strength at 3, 7, and 28 days. The slump values for GPCSC and GPCC were 10 mm and …
Published in Journal of Structural Engineering and Management · Vol. 11, Issue 3, 2024 · pp. 63–68 Read article
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Evaluating the Structural Performance of Concrete with Partial Replacement of Fine Aggregate by Plastic Waste
Abstract: This work evaluates the performance of concrete incorporating plastic waste as a partial replacement for fine aggregate, at replacement levels of 0%, 5%, 10%, 15%, and 20%. Various tests were conducted on fresh and hardened concrete to assess workability, strength, and durability. The slump cone and compaction factor tests were used to measure workability, yielding a slump range between 25–30 mm and a compaction factor of 0.98, indicating medium workability. …
Published in Journal of Structural Engineering and Management · Vol. 11, Issue 3, 2024 · pp. 69–75 Read article
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Assembly Process and Performance of A Micro Steam Power Plant
Abstract: Energy is an indispensable component of modern society, driving everything from industrial processes to household appliances, among the various sources of energy, steam power, a form of heat energy has played a pivotal role in the development of human civilization, paving the way for the Industrial Revolution and subsequent technological advancements. This study focused on the assembly and performance evaluation of a 5 kW steam power plant. The components of …
Published in International Journal of Industrial and Product Design Engineering · Vol. 2, Issue 2, 2024 · pp. 38–48 Read article
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Investigation of Process Specifications on Friction Stir Welded Aluminium 5083 and 6082 Alloys
Abstract: Aluminium 5083 alloys were mainly used for naval based applications because of better corrosion resistance feature. Similarly aluminium 6082 alloy being a structurally significant material found its applications in construction sector. Fusion welding of these two heterogeneous alloys is bit hard, since it evolves many defects. Present Investigation deals with two cases of distinct alloys through FSW process. Case 1 represents 31 experimental trails performed by 5 various tool pin …
Published in Journal of Polymer & Composites · Vol. 13, Issue 2, 2025 · pp. 1–11 Read article
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Advances in Biological Systems Modeling for Predicting Drug Effects in Chronic Disease
Abstract: Biological systems modeling has emerged as a promising tool for understanding and predicting the effects of drugs in the treatment of chronic diseases. Chronic diseases, such as diabetes, cardiovascular diseases, and neurodegenerative disorders pose significant challenges to traditional drug development due to their complex, multifactorial nature. Systems biology approaches, which integrate computational modeling with experimental data, provide a holistic view of disease mechanisms and treatment responses. This review explores recent …
Published in Research and Reviews : Journal of Computational Biology · Vol. 14, Issue 1, 2025 · pp. 17–22 Read article
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Role of Carbohydrates and Herbal Plants in the Management of Diabetes Mellitus
Abstract: This extensive review explores the intricate relationship between carbohydrates and diabetes mellitus, integrating historical perspectives, biochemical foundations, and modern therapeutic approaches. The article delves into the chemistry of carbohydrates, elucidating their structural diversity and metabolic significance in relation to diabetes pathophysiology. It traces the evolution of diabetes, understanding from ancient civilizations to contemporary molecular insights, highlighting pivotal discoveries such as insulin’s identification. They critically examined various forms of diabetes, including …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 16, Issue 1, 2025 · pp. 34–60 Read article