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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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Self-Navigating Rover for Real Time Mapping and Disaster Management
Abstract: This paper presents the development of an autonomous rover designed for mapping and object detection in challenging terrains. The rover integrates a 6-wheel rocker-bogie mechanism for enhanced mobility and stability, making it suitable for rugged and uneven environments. Key components include an Arduino Uno for control operations, a Camera module for real-time visual data capture and object detection, and a LiDAR for precise distance measurement and spatial mapping. The system …
Published in Journal of Aerospace Engineering & Technology · Vol. 15, Issue 1, 2025 · pp. 23–33 Read article
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Screening Phytocompounds of Tinospora cordifolia to Find Potential Drug Targets for Cystic Fibrosis
Abstract: This study aimed to evaluate the therapeutic potential of phytocompounds derived from Tinospora cordifolia in treating cystic fibrosis (CF), a genetic disorder caused by mutations in the CFTR gene that lead to severe respiratory and digestive complications. Phytocompounds were retrieved from the IMPPAT database and subjected to molecular docking simulations using PyRx to assess their binding affinity to the CFTR protein. The top-scoring compounds – sterol, magnoflorine, tembetarine, kaempferol, and …
Published in International Journal of Genetic Modifications and Recombinations · Vol. 3, Issue 1, 2025 · pp. 16–24 Read article
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Advanced Materials for Solar Photovoltaic Cells: Recent Developments and Future Prospects
Abstract: Solar energy is becoming a key component of renewable energy systems due to the global shift to sustainable energy sources. Recent developments in solar photovoltaic (PV) cell materials have resulted in notable gains in scalability, cost-effectiveness, and efficiency. With an emphasis on inorganic, organic, hybrid, and developing materials, this review looks at the most recent advancements in materials for photovoltaic technology. Notably, organic photovoltaics’ offer benefits in flexibility and inexpensive …
Published in Journal of Microelectronics and Solid State Devices · Vol. 12, Issue 1, 2025 · pp. 1–5 Read article
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Overview of Ionic Polarization: A Model Based Novel Approach
Abstract: This study presents a comprehensive analysis of ionic polarization through a novel model-based approach that integrates theoretical, computational, and experimental methodologies. Ionic polarization, which significantly influences the dielectric properties of materials, is examined through the lens of the Clausius-Mossotti equation and the Debye relaxation model, providing a theoretical framework for understanding the relationship between ionic displacement and dielectric behavior. To explore ionic displacement and polarization at the atomic level, advanced …
Published in International Journal of Cheminformatics · Vol. 2, Issue 2, 2024 · pp. 18–25 Read article
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A Critical Review on Carbon Fiber Reinforcement in Various Applications
Abstract: Carbon fiber, celebrated for its outstanding mechanical properties and impressive strength-to-weight ratio, has become a critical material in various industries. This review journal, An In-Depth Study of Carbon Fiber Reinforcement in Diverse Applications, delves into the recent advancements and innovations in carbon fiber technology. The exploration includes its integration into aerospace, automotive, civil engineering, sports equipment, and renewable energy sectors. The aerospace industry leverages carbon fiber for constructing lightweight, fuel-efficient …
Published in Journal of Polymer & Composites · Vol. 13, Issue 2, 2025 · pp. 490–502 Read article
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Biomimetic Approaches to Damage Tolerance: Lessons from Natural Materials
Abstract: Biomimicry has emerged as a powerful and innovative strategy for designing materials with enhanced damage tolerance by drawing inspiration from biological systems found in nature. Various natural materials, such as bone, nacre (mother-of-pearl), and spider silk, display exceptional mechanical properties, including high toughness, superior strength, and inherent self-healing capabilities. These remarkable attributes arise from their complex hierarchical architectures and adaptive mechanisms, which have been refined over millions of years through …
Published in International Journal of Fracture Mechanics and Damage Science · Vol. 3, Issue 1, 2025 · pp. 11–16 Read article
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Next-Generation Photochemical Research Using Cathodoluminescence: Mapping Optical Properties and Resonances at the Nanoscale
Abstract: This study explores the principles and diverse applications of CL, particularly in the analysis of inorganic compounds and nanophotonic structures. It examines various facets of CL, including aperture effects, transmission modes, resolution, momentum, scanning techniques, and modulation within CL imaging. The study underscores significant advancements in CL technology, highlighting its utility in characterizing nanostructures, plasmonic materials, and optoelectronic devices. The discussion emphasizes CL's role in mapping the Local Density of …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 2, Issue 2, 2024 · pp. 01–05 Read article
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Advancements in Photocatalysis: Applications in Environmental Remediation
Abstract: The study of radioluminescence, a phenomenon where materials emit light upon exposure to ionizing radiation, has expanded significantly in recent years, finding applications in various fields, including environmental remediation, radiation detection, and dosimetry. This paper reviews recent advancements in radioluminescent technologies, particularly focusing on Radioluminescent Isotope Cells (RLICs) and semiconductor colloidal quantum dots (cQDs). The use of RLICs, particularly those based on 63Ni, demonstrates enhanced energy conversion efficiency through optimized …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 2, Issue 2, 2024 · pp. 39–44 Read article
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Design, Synthesis, and Spectroscopic Elucidation of 3-Methyl-1-Phenylpyrazol-5-One: A Cheminformatics-Aided Approach to Heterocyclic Drug Scaffolds
Abstract: Pyrazolone, a notable heterocyclic compound, has drawn increasing interest due to its broad pharmacological profile and structural versatility. The synthesis, characterisation, and biological assessment of new pyrazolone derivatives are examined in this work. A comprehensive review of existing synthetic strategies is presented, emphasizing green and efficient methodologies. Novel derivatives were synthesized using varied starting materials and catalytic systems, followed by structural confirmation through spectroscopic analyses, including NMR, IR, and mass …
Published in International Journal of Cheminformatics · Vol. 3, Issue 1, 2025 · pp. 29–40 Read article
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Assessment of Sustainable Composite for UAV structural Application
Abstract: Now-a-days aligned with global mission the growth of Unmanned aerial vehicle (UAV) application is enormous in the field of agriculture, defence, surveying etc., This research work investigates the improvement in strength of polymer matrix composite material of adding epoxy polymer resin with novel bio fibers such as Tamarindus and Morinda. The composite material was fabricated by using hand-layup method later its mechanical properties are analysed by numerical method as well …
Published in Journal of Polymer & Composites · Vol. 13, Issue 2, 2025 · pp. 359–377 Read article
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Effect of Polymer Crosslinking on Drug Release Kinetics
Abstract: In order to improve treatment effectiveness and minimise adverse effects, polymer-based drug delivery systems are often used to produce regulated and sustained drug release. Polymer crosslinking, which alters the structural, mechanical, and degrading characteristics of the polymer matrix, is one of the key elements affecting drug release kinetics. The porosity, swelling behaviour, and rate of degradation of the polymer are all impacted by the crosslinking process, which may be accomplished …
Published in Journal of Polymer & Composites · Vol. 13, Issue 4, 2025 · pp. 636–647 Read article
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Tiny Titans: The Promise of E-Nanorobots in the Fight Against Cancer
Abstract: Cancer, a disease characterized by uncontrolled cell growth, continues to be a leading cause of mortality worldwide. Despite advances in surgery, radiation, and chemotherapy, significant challenges remain in achieving targeted and effective treatments without harmful side effects. But what if we could deploy microscopic robots, engineered at the nanoscale, to precisely target and destroy cancerous cells while leaving healthy tissue untouched. The fascinating possibilities of e-nanorobots are driving extensive research …
Published in Journal of Advancements in Robotics · Vol. 12, Issue 2, 2025 · pp. 11–21 Read article
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The Effect of Salt Stress and Selenium on Some Morphological and Flowering Traits of Petunia Plants ( Petunia hybrida L.)
Abstract: This study carried out in one of the nurseries of Kufa city/Iraq during the winter season of 2024 to study the effect of salt stress caused by sodium chloride at concentrations (0, 25, 50) mmol and foliar spraying with selenium at concentrations (0, 10, 20) mg.L-1 and the effect of the study factors on some growth and flowering traits and the percentage of nitrogen, phosphorus and potassium as well as …
Published in Research & Reviews : Journal of Botany · Vol. 14, Issue 3, 2025 · pp. 29–37 Read article
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Advancing Brain Tumor MRI Segmentation
Abstract: Segmentation of brain tumors in MRI scans is an integral part of neuroimaging carried out for diagnostic and therapeutic interventions. Given that manual segmentation is cumbersome and highly variable, there arises a need for automated, more precise segmentation solutions. This project, ‘Machine Learning and Deep Neural Networks to Advance Brain Tumor MRI Segmentation’ will develop a better, efficient, and accurate segmentation model to help clinicians identify brain tumors with greater …
Published in Recent Trends in Electronics Communication Systems · Vol. 12, Issue 2, 2025 · pp. 28–33 Read article
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Design and Development of Pipe Bending Machine
Abstract: The design and development of a pipe bending machine are crucial for various industrial applications, including the construction, automotive, and manufacturing sectors. Bending is a fundamental metalworking process that involves deforming pipes, tubes, square hollows, and rods without compromising their structural integrity. This study focuses on designing a cost-effective and efficient pipe bending machine that can accommodate different pipe sizes and materials. The key design considerations include selecting an appropriate …
Published in International Journal of Manufacturing and Production Engineering · Vol. 3, Issue 1, 2025 · pp. 22–30 Read article
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Review of Research on Pozzolanic Materials for Cement Blending and Concrete Applications
Abstract: The growing environmental concerns associated with cement production, particularly its high carbon footprint, have driven research into sustainable alternatives such as supplementary cementitious materials (SCMs) derived from agricultural and industrial waste. This study synthesizes findings from recent investigations into the pozzolanic potential of basil plant ash (BPA), rice husk ash (RHA), and stockpiled fly ash (FA), evaluating their processing methods, microstructural characteristics, and performance in concrete applications. BPA, being derived …
Published in Recent Trends in Civil Engineering & Technology · Vol. 15, Issue 3, 2025 · pp. 1–6 Read article
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An Overview of Natural Fibers and Fillers Reinforced Polymer Composite Materials
Abstract: Polymer composite materials reinforced with natural fibers and fillers are drawing wide spread attention due to their sustainability, eco-friendliness, and a replacement of conventional synthetic composites. Such materials combine strength and stiffness of natural fibers like jute, hemp, flax, and sisal with flexibility and durability of polymer matrices, including thermoplastics, and thermosets. The paper reviews some developments, properties, and applications of natural fiber-reinforced polymer composites (NFRPCs), focusing on their merits, …
Published in Journal of Polymer & Composites · Vol. 13, Issue 4, 2025 · pp. 78–92 Read article
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Investigating The Alkalizing Potential of Chandanasava For Restoring Acid-Base Homeostasis in Renal Tubular Acidosis: A Computational and In Silico Pharmacological Study
Abstract: Chandanasava, a traditional Ayurvedic formulation, is recognized for its potential alkalizing properties, which may help restore acid-base homeostasis in conditions such as renal tubular acidosis (RTA). This study aims to investigate the active components of Chandanasava and their interactions with key renal target proteins, Pendrin and Carbonic Anhydrase II, which are essential for maintaining acid-base balance. An in silico approach was utilized to explore the pharmacological potential of the phytochemicals …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 2, 2025 · pp. 28–52 Read article
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The Impact of Quran Memorisation on Wellbeing: Lived Experiences of Bohra Huffaz
Abstract: The Quran, revealed over 1400 years ago, remains central to Muslims' daily lives, particularly through recitation during prayers. Quran memorisation (QM), known as Hifz, is a centuries-old tradition requiring intense cognitive engagement, discipline, and spiritual dedication. While many studies explore the psychological benefits of spiritual practices, few have examined the profound impact of full Quran memorisation on personal well-being. This study examines how Quran memorisation influences psychological well-being, particularly among …
Published in International Journal of Trends in Humanities · Vol. 2, Issue 2, 2025 · pp. 1–13 Read article
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Study on Partial Replacement of Cement with Pinus Fiber and Nano Silica in M30 Concrete Paver Blocks: A Fiber-Reinforced Polymer-Cement Composite Approach
Abstract: This study investigates the partial replacement of cement in M30 grade concrete paver blocks using nano silica and Pinus fiber, with a primary focus on mechanical performance, sustainability, and long-term durability and promoting sustainability. Portland cement, a major contributor to global CO₂ emissions, can be partially substituted using supplementary materials to create eco-efficient construction solutions. Nano silica, due to its high pozzolanic reactivity and ultrafine size, improves the microstructure and …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 63–76 Read article