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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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Cost-Effective Conversion Techniques of Scrap Bicycles into Intelligent Electric Bicycles: A Review
Abstract: Over the past few years, there has been an overwhelming increase in requirement of sustainable and affordable urban mobility solutions both due to the environmental concerns along with the rising fuel prices and urban traffic jams. Electric bicycles (e-bike) have become an efficient option as a substitute to traditional modes of transport which are similar to conventional tools since they have low emissions and are energy efficient as well as …
Published in Journal of Automobile Engineering and Applications · Vol. 12, Issue 2, 2025 · pp. 30–40 Read article
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Study of a Western Disturbance of 2023 Using Satellite-Based Observation, Reanalysis Data, and Numerical Simulation
Abstract: Western Disturbances (WDs) are synoptic-scale, extratropical storm systems that influence winter precipitation across northwest India. This study focuses on a specific WD event that occurred from 24– 25 March 2023, affecting Jammu & Kashmir, Himachal Pradesh, Uttarakhand, and Punjab. The analysis integrates satellite observations, ERA-5 reanalysis data, and simulations from the Weather Research and Forecasting (WRF) model to evaluate the model's performance. The novelty of this study lies in its …
Published in Journal of Remote Sensing & GIS · Vol. 16, Issue 3, 2025 · pp. 16–38 Read article
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Advanced Perspectives on Fluid Dynamics in Environmental Systems: Interactions, Impacts, and Innovations
Abstract: Environmental fluid mechanics is a multidisciplinary field that investigates the movement and behavior of natural fluids—such as air and water—in the environment, with a particular focus on understanding and mitigating the effects of human activities and natural processes. This study presents an analysis of fluid flow phenomena relevant to environmental systems, examining the transport of momentum, heat, and contaminants in both natural and engineered environments. Emphasis is placed on the …
Published in Recent Trends in Fluid Mechanics · Vol. 12, Issue 2, 2025 · pp. 1–16 Read article
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Photonic Polymer Composites for Light-Modulating Displays and High-Throughput Optical Data Transmission
Abstract: The combination of PMMA-based composites recently received substantial attention from the photonic applications field since these materials combine excellent optical transparency, mechanical flexibility and straightforward fabrication capabilities. The material performance of pure PMMA requires functional additives because it shows limited thermal properties and optical attenuation in addition to sensitivity against UV rays. The research explores developmental pathways for PMMA composites through combined use of nanoparticles and electro-optic polymers with dopants …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 838–860 Read article
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Computational Study of Sombor Index on Generalized Abid–Waheed Graphs for Polymer Modeling
Abstract: This study investigates the topological properties of generalized Abid Waheed graphs. Development of theoretical models in chemistry, reducing computational complexity while analysing large molecules or networks Abid Waheed graphs play a significant role. Motivated by these findings, the research was extended to encompass generalized Abid Waheed graphs, characterized by r cycles of order s. A notable similarity between Abid Waheed graphs and Jahangir graphs was observed. The potential applications of …
Published in Journal of Polymer & Composites · Vol. 13, Issue 5, 2025 · pp. 267–274 Read article
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Effectiveness of a Dental Exercise Protocol in Improving Forward Head Posture: A Case Series in Young Adults
Abstract: Background: Forward Head Posture (FHP) is a common postural disorder in young adults, often exacerbated by extended screen time and poor ergonomic practices. Neuromuscular interactions between the cervical spine and mandibular system may contribute to FHP. Objective: This case series investigates the effectiveness of a dental exercise protocol in improving FHP and mandibular function in college-aged individuals. Methodology: Five participants (3 males, 2 females; ages 18–24) with CVA ≤53° underwent …
Published in Research and Reviews: A Journal of Neuroscience · Vol. 15, Issue 3, 2025 Read article
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Advances in Biopolymer-Based Surgical Implants: A Polymer Chemistry Perspective
Abstract: Biopolymers have emerged as a promising class of materials for surgical implants due to their biocompatibility, biodegradability, and ability to mimic natural tissue properties. These materials play a crucial role in modern biomedical engineering by reducing adverse immune responses and enhancing tissue integration. This paper explores the role of polymer chemistry in developing biopolymer-based surgical implants, highlighting key polymeric materials. These polymers are making them suitable for diverse biomedical applications. …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 1–6 Read article
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Polymer Chemistry-Guided Development of Biomimetic Composite Scaffolds
Abstract: Polymer chemistry plays a fundamental role in advancing biomaterials for anatomical tissue engineering, particularly in the design of composite scaffolds that replicate the intrinsic characteristics of native tissues. The regeneration of damaged tissues, especially within anatomically complex structures such as bone, cartilage, and skin, necessitates biomaterials that closely emulate the hierarchical architecture and biological functions of native extracellular matrices (ECMs). The capacity to replicate both mechanical and biochemical cues of …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 7–13 Read article
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The Role of Polymer Chemistry in Developing a Novel Polymer-Based Retromolar Endotracheal Tube
Abstract: This study presents the development and characterization of a novel polymer-based modified endotracheal tube designed for retromolar intubation. The tube is manufactured using medical-grade polyvinyl chloride (PVC) with reinforced polymeric structures to enhance flexibility while maintaining lumen integrity. The incorporation of a preformed lateral curvature mitigates airway resistance and airflow reduction caused by manual bending, ensuring an optimal balance between rigidity and adaptability. Additionally, the integration of polymer-based ligature wires …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 14–20 Read article
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Innovations in Targeted Drug Discovery for Personalized Medicine
Abstract: Personalized medicine is revolutionizing modern healthcare by custoizing treatment plans to match an individual’s genetic makeup, protein expression, and metabomlic characteristics. Also referred to as precision medicine, this approach seeks to improve therapeutic outcomes, reduce adverse effects, and make efficient use of healthcare resources. The incorporation of various omics technologies—including genomics, proteomics, transcriptomics, metabolomics, and epigenomics—has greatly advanced our ability to understand disease biology and molecular variations specific to each …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 12, Issue 3, 2025 · pp. 19–41 Read article
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Formulation and Evaluation of Polyherbal Soap with Antibacterial and Dermatological Benefits: A Polymer Chemistry Approach
Abstract: This study investigates the formulation and evaluation of polyherbal soap composed of extracts from Vitex negundo, Azadirachta indica, and Curcuma longa. These plants possess significant antibacterial, dermatological, and skin-nourishing properties. The soap formulation follows a saponification process using coconut oil and sodium hydroxide as primary reactants, incorporating polymer chemistry principles in soap structuring and stability. Polymers such as polysaccharides and fatty acid chains contribute to the stability, viscosity, and foaming …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 158–164 Read article
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An Experimental Study on Multi-Criteria Parameters Optimization of Process for Al6351/SiC/Gr Metal Matrix Composites Using AHP-TOPSIS Approach
Abstract: This research focuses on optimizing the process parameters of Wire Electrical Discharge Machining (WEDM) for a hybrid Metal Matrix Composite (MMC) comprising Al6351 aluminum alloy reinforced with 4% SiC and 6% graphite (Gr), fabricated via squeeze casting. This technique enables the formation of dense, defect-free composites with uniform reinforcement distribution, enhancing both mechanical properties and structural integrity. Microstructural characterization using Scanning Electron Microscopy (SEM) confirmed the even dispersion and bonding …
Published in Journal of Polymer & Composites · Vol. 13, Issue 5, 2025 · pp. 303–319 Read article
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Advances in Polymer-Based Materials for Dental Applications: A Case Study on PVC and Ceramic Coatings in Digital Mouth Mirrors
Abstract: Polymeric materials play a crucial role in modern dentistry, providing improved mechanical properties, biocompatibility, and enhanced functionality in dental instruments. These materials contribute significantly to the advancement of dental tools, ensuring durability, safety, and efficiency. This study explores the application of polyvinyl chloride (PVC), ceramic coatings, and anti-fog polymer layers in the development of a digital mouth mirror. The integration of these materials results in enhanced durability, corrosion resistance, and …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 244–252 Read article
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Isolation and Characterization of Glucuronide Compound from Luffa Tuberosa (Roxb.) for Potential Applications in Polymer Chemistry
Abstract: This study explores the isolation process of glucuronide compounds from Luffa tuberosa (Roxb.) using an efficient and cost-effective method. The extracted compound, Gypsogenin-3β-O-β-D-Methyl glucuronide, is characterized using spectroscopic techniques such as IR, NMR, and Mass Spectrometry. The polymeric nature of glucuronide-based compounds and their potential applications in polymer and composite materials are discussed. The findings highlight the suitability of glucuronide derivatives in biomedical, pharmaceutical, and polymeric drug delivery systems. Additionally, …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 566–572 Read article
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AI-Assisted Defect Detection in Polymer Composite Insulators Using an Optimised Ensemble Deep Learning Framework for Structural Health Monitoring
Abstract: Polymer composite insulators, particularly those made from silicone rubber and epoxy resins, are increasingly adopted in high-voltage transmission systems due to their superior electrical insulation, lightweight design, hydrophobicity, and environmental durability. Despite their advantages, these materials are susceptible to surface degradation, mechanical cracking, and flashover under prolonged exposure to environmental pollutants, thermal stress, and electrical aging. Accurate, real-time condition assessment of these composite insulators is critical for ensuring operational safety, …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 253–261 Read article
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Design and Implementation of Lightweight Polymer-Based Drone System for Targeted Agricultural Spraying
Abstract: Agriculture has entered a new era of innovation, with drone technology emerging as a key tool in pesticide and fertilizer application. Unlike conventional methods that expose farmers to hazardous chemicals resulting in health issues such as skin disorders, neurological impairments, and in extreme cases, fatal illnesses drone-based spraying offers a safer and more efficient alternative. In India, the adoption of this technology is accelerating due to its ability to reduce …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 476–486 Read article
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Advances in Polymer Chemistry for Coronary Artery Disease
Abstract: Coronary artery disease (CAD) remains the leading cause of morbidity and mortality worldwide, driving ongoing innovation in therapeutic materials and device design. Polymer chemistry has emerged as a cornerstone in the development of advanced cardiovascular interventions, offering versatile platforms to improve the safety, efficacy, and functionality of implantable devices. This review explores recent advances in the synthesis and application of biodegradable and biostable polymers, focusing on their roles in drug-eluting …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 710–716 Read article
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Captive Energy Generation by Using Gym Equipment
Abstract: This project aims to create a sustainable energy source by converting exercise equipment into devices capable of generating electrical power. Traditionally, the mechanical energy produced during workouts is wasted as it dissipates within exercise machines. This project aims to capture and convert that otherwise unused energy into usable electricity. By integrating an alternator-based system into fitness equipment, the mechanical motion generated by users during exercise can be transformed into electrical …
Published in Journal of Microwave Engineering and Technologies · Vol. 12, Issue 3, 2025 · pp. 21–26 Read article
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Accident Avoidance and Crash Detection Using GSM and GPS
Abstract: The Accident Avoidance and Crash Detection system is designed to enhance vehicle safety by utilizing real-time accident detection, speed tracking, and automated crash prevention mechanisms integrated with GSM and GPS technologies. The system incorporates an accelerometer to identify abrupt changes in acceleration, indicating a potential collision. Upon detecting an accident, the system automatically transmits an alert message with the vehicle's GPS location to a designated mobile number using GSM technology, …
Published in Research & Reviews: A Journal of Embedded System & Applications · Vol. 13, Issue 3, 2025 · pp. 01–12 Read article
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Analysis of Friction Stir Welding Utilizing ANSYS: A Study Based on Simulation
Abstract: Friction Stir Welding (FSW) represents a sophisticated solid-state welding methodology that has attracted considerable scholarly attention due to its efficacy in amalgamating high-strength, lightweight substrates including aluminium, magnesium, and titanium alloys. FSW enables the fabrication of defect free products with a substantial amount of mechanical and wear properties. The process is highly sensitive to various parameters that significantly influence the quality and strength of the final product. Studies have shown …
Published in International Journal of Mechanical Dynamics and Systems Analysis · Vol. 3, Issue 2, 2025 · pp. 62–77 Read article