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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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Study of the Antibacterial Activity of Artemisia Absinthium against E. coli bacteria Isolated from Urinary Tract Infections
Abstract: Twenty clinically diagnosed samples were collected using transport medium swabs from the operating room at Al-Amal Specialized Laboratory in Iraq between November 2025 and February 10, 2026. Antibiotic susceptibility testing was performed on the 20 Escherichia coli samples. The results showed a clear difference in the bacterial isolates' response to the tested antibiotics. Imipenem demonstrated the highest inhibition rate, reaching 24.55% (100%), compared to the other antibiotics used in the …
Published in Recent Trends in Infectious Diseases · Vol. 3, Issue 2, 2026 · pp. 17–25 Read article
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Non-Small Cell Lung Cancer: Types, Pathogenesis, Diagnosis, and Novel Therapeutic Strategies
Abstract: Non-small cell lung cancer (NSCLC) is the most prevalent type of lung cancer, accounting for over 85% of all cases globally. It remains one of the primary causes of cancer-related death due to its rapid progression, few early symptoms, and late detection. The three main forms of non-small cell lung cancer (NSCLC) are adenocarcinoma, squamous cell carcinoma, and giant cell carcinoma; each has a unique histology, prognosis, and response to …
Published in Research and Reviews: A Journal of Pharmacology · Vol. 16, Issue 2, 2026 Read article
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Machine Learning-Based Quantification of Polymer Structure Property Relationships for Predictive Material Design
Abstract: Polymer structures exhibit complex, hierarchical arrangements that strongly influence macroscopic properties, yet consistent quantification remains challenging due to nonlinear interactions and limited unified modeling strategies. Existing approaches inadequately capture generalized structure–property mappings across diverse polymer systems. This research aims to establish a machine learning-based quantification model for polymer structure–property relationships to support predictive material design. A Polymer Structure Property Dataset of 5,000 polymer samples includes structural descriptors and experimentally measured …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 737–754 Read article
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Antimicrobial Resistance: - A Growing Serious Threat for Global Public Health
Abstract: Antibiotics, among the most significant discoveries of the 20th century, have prevented infectious diseases from claiming millions of lives. However, their widespread use and misuse have created strong selection pressure, enabling microbes to develop antimicrobial resistance (AMR) to many drugs. Over time, AMR has spread primarily through human-to-human contact, both within healthcare settings and in the community. It is driven by a complex interplay of healthcare and agricultural factors, including …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 17, Issue 2, 2026 Read article
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Recent Innovations in Semiconductor Materials for Smart Electronic Devices
Abstract: Recent advancements in semiconductor materials have significantly transformed the design, performance, and functionality of smart electronic devices such as smartphones, wearable systems, IoT devices, autonomous systems, and biomedical electronics. With the continuous demand for higher processing speed, lower power consumption, improved thermal stability, and extreme miniaturization, traditional silicon-based semiconductor technology is facing major limitations. As device dimensions shrink to the nanometer scale, challenges such as leakage current, heat dissipation, and …
Published in Journal of Semiconductor Devices and Circuits · Vol. 13, Issue 2, 2026 Read article
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Recombinant Proteins and Nested Gene Regulation: Nutrient Driven Immune Response and Disease Resistance in Livestock
Abstract: Livestock production systems are increasingly challenged by infectious diseases, metabolic disorders, and environmental stressors that reduce productivity and compromise animal health. Advances in molecular biology and animal nutrition now offer new opportunities to strengthen disease resistance through integrated strategies that combine recombinant protein technologies, gene regulatory mechanisms, and nutrient mediated immune modulation. This review examines how recombinant proteins and nested gene regulation interact to shape nutrient driven immune responses in …
Published in Research and Reviews : A Journal of Biotechnology · Vol. 16, Issue 1, 2026 Read article
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Enhance Thermal and Conductive Properties through Graph Neural Network-Based Machine Learning-Driven Advanced Polymer Material Design
Abstract: Advanced polymer materials are widely used in modern engineering and manufacturing because of their lightweight nature, flexibility, durability, and adaptability to different applications. However, designing polymer materials with enhanced thermal and electrical properties remains a challenging task. The performance of polymers is influenced by a complex combination of molecular structures, filler materials, processing parameters, and nanoscale interactions. Conventional optimization methods often require extensive experimental trials and computational resources, making it …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 Read article
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Evaluation and Fabrication of 3D Printed Bioactive β-TCP/PCL Scaffolds for Bone Tissue Engineering
Abstract: Bone is one of the tissue types that is transplanted the most worldwide. Each year, there are over four million procedures that incorporate the use of bone grafts or substitutes to help heal bone deficiencies. These treatments are still limited greatly, and there is always a demand to help because of trauma, cancer, infection, and arthritis. Because of this, researchers are targeting improvement in developing bioactive three-dimensional (3D) scaffolds that …
Published in Journal of Polymer & Composites · Vol. 14, Issue 4, 2026 Read article
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Electrochemical Biosensors for Disease Diagnostics
Abstract: Electrochemical biosensors have emerged as one of the most promising tools for disease diagnosis because they combine high sensitivity, rapid response, portability, and low cost in a single analytical platform. In recent years, growing interest in early disease detection has pushed researchers to develop biosensors that can detect clinically important biomarkers in blood, saliva, urine, sweat, and other biological fluids. These sensors work through the interaction between a biological recognition …
Published in Nano Trends – A Journal of Nano Technology & Its Applications · Vol. 28, Issue 2, 2025 Read article
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Chlorophyll-Mimicking Ti₃C₂Tₓ MXene-Conjugated Polymer Nanocomposites: Nature-Inspired Exciton Funneling Architecture for Ultrahigh Photon-to-Electron Conversion in Organic Solar Cells
Abstract: Green plant photosynthetic machinery is one of the most efficient natural systems for harvesting solar energy and converting it into useable electronic charge. Specifically, chlorophyll molecules in the Light-Harvesting Complex II (LHC-II) achieve nearly unity quantum yield via a well-organized Förster Resonance Energy Transfer (FRET) mechanism that enables excitons to migrate towards reaction centers. This study presents a bio-inspired nanocomposite architecture using two-dimensional Ti₃C₂Tₓ MXene nanosheets functionalized with chlorophyll-mimicking porphyrin …
Published in Journal of Polymer & Composites · Vol. 14, Issue 4, 2026 · pp. 114–130 Read article
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A Review of Modifications of Cement Slurry Formulations for Carbon Dioxide Storage
Abstract: Climate action, which includes activities aimed at mitigating climate change or reducing its adverse impacts, is the thirteenth goal of the 2030 SDGs (Sustainable Development Goals). Tthe successful commercial deployment of CCS technology would heavily rely on the integrity of the cement sheath used to complete the wellbores at the CO₂ storage sites. It has been established that the cement sheath made from conventional ordinary Portland cement (OPC) is not …
Published in Emerging Trends in Chemical Engineering · Vol. 13, Issue 2, 2026 · pp. 1–21 Read article
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Passive Augmentation Studies in a Double Pipe Heat Exchanger with Ellipsoidal Dimples
Abstract: In this work, the numerical studies of heat transfer augmentation of a counter-current double pipe heat exchanger with ellipsoidal dimples (inward-facing, raised dimples) on the inner tube was performed using SOLIDWORKS software. The effect of dimple depth, dimple pitch and number of dimples/angles between two dimples on heat transfer was investigated at a constant volumetric flow rate of 4 LPM for hot (water) and cold (water) fluids. The effect of …
Published in Journal of Thermal Engineering and Applications · Vol. 13, Issue 2, 2026 Read article
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Automatic Bluetooth Controlled Shutter System Using Microcontroller and Mobile Application
Abstract: Automation has become an essential part of modern engineering system. Manual shutter systems used in shops, garages, and industries require physical effort and time. To overcome these limitations, wireless control systems using Bluetooth technology have been developed. Bluetooth-based automation systems allow communication between smartphones and embedded systems. These systems are widely used due to their low cost, low power consumption, and ease of integration. This paper focuses on designing a …
Published in International Journal of Electronics Automation · Vol. 4, Issue 2, 2026 Read article
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Development of Bio-Based Polymer Composites for Sustainable Construction Materials
Abstract: The demand for eco-friendly sustainable construction materials has gained significant interest in the development of bio-based polymer composites as ecologically suitable alternatives to traditional petrochemical-based polymer composites. The environmental problems associated with non-biodegradable, high-carbon-footprint polymer composites make their more bio-based counterparts an attractive option that offers both environmental and structural benefits. To evaluate environmental impact and industrial feasibility, a comprehensive life cycle assessment was performed. The methodology adopts optimized bio-based …
Published in Journal of Polymer & Composites · Vol. 13, Issue 4, 2025 · pp. 194–208 Read article
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Mast Cell Activation Disorders: Diagnosis & Management
Abstract: Mast Cell Activation Disorder (MCAD) is a broad umbrella term which includes a heterogenous group of disorders characterized by the inappropriate and excessive release of mediators from mast cells. Mast Cell Activation Syndrome represents a severe and well-defined form within the broader spectrum of Mast Cell Activation Disorders. These disorders are generally divided into clonal and non-clonal categories. Clonal conditions include Systemic Mastocytosis, Cutaneous Mastocytosis, and Monoclonal Mast Cell Activation …
Published in Research and Reviews : A Journal of Immunology · Vol. 16, Issue 2, 2026 · pp. 31–40 Read article
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Multifunctional Car Covering System
Abstract: Traditional car covers are heavy, consume much space, and are not suitable for today’s advanced generation. They fail to meet the evolving necessities of modern vehicle protection. Often, they are operated manually, offer minimal security, and lack advanced features such as automated deployment or integrated maintenance systems. To address these problems and limitations, this project introduces an innovative and multifunctional smart car covering system powered by a wiper-like mechanism and …
Published in Journal of Automobile Engineering and Applications · Vol. 13, Issue 2, 2026 Read article
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IoT-Based Smart Waste Tracking & System for Monitoring
Abstract: In an era of rapid urban growth—driven by continued population growth and greater waste dispersion due to unregulated disposal practices by all citizens—a major challenge is emerging in the effective management of solid waste in urban environments. This project proposes a solution to this challenge: a Smart Waste Tracking & System for Monitoring. In this system, every household is provided with an RFID card, which they must use each time …
Published in International Journal of Environmental Noise and Pollution Control · Vol. 4, Issue 2, 2026 Read article
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A Study on Site Selection Component of Model Logistics Park: A Case of Uttar Pradesh, India
Abstract: Uttar Pradesh, India’s 4th largest state and 3rd largest economy eyeing being a One trillion-dollar economy. Among the top 5 manufacturing states of India, home to the second-highest number of Micro, Small, and Medium Enterprises (organized and unorganized) in India. The National Highways Logistics Management Limited under the Ministry of Road Transport and Highways (MoRTH) and the National Highways Authority of India proposed Multi-Modal Logistics Parks (MMLPs) as an initiative …
Published in Trends in Transport Engineering and Applications Read article
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Investigate an Implementation Study of TI-6AL-4V Lattice-based Scaffold Design Using Finite Element Analysis
Abstract: Implementation studies are advised to determine the effectiveness and performance of bone scaffolding in morphology, which has been demonstrated scientifically. The rehabilitation of bone defects, which is still a complex problem in orthopedic surgery, was the subject of an implementation study we provided. Biomaterial scaffolding porosity and pore size are essential in both in vivo and in vitro bone development. However, it has been linked to various drawbacks, including poor …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 1, Issue 1, 2023 · pp. 28–35 Read article
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Taguchi Method: A New Approach for Evaluating and Optimizing Parameters of TIG Welding
Abstract: The construction and industrial sectors must improve the quality of their welds. An experimental plate fabricated of SS304L was to be tungsten inert gas (TIG) welded in this experiment, and an effort was made to enhance the mechanical properties. The Taguchi L9 orthogonal array was used to organize the experiment, and the mechanism of advancement was used to simulate the performance. The tensile strength of the welded junction rises in …
Published in Journal of Polymer & Composites · Vol. 11, Issue 2, 2023 · pp. 121–129 Read article