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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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Synthesis, Spectral Characterization and Computational Studies of Hydrazine Derivative
Abstract: (E)-1-(2,3-dimethoxy benzylidene)hydrazine (2,3-DMBH) is synthesized by condensation reaction. FT-IR, ¹H NMR, ¹³C NMR spectra were recorded for this compound. The synthesized compounds were evaluated as potential drug candidates through ADME analysis and Lipinski’s rule verification. Molecular docking studies against six proteins using AUTO DOCK software showed promising results. Among them, 2,3-DMBH exhibited strong binding affinities, particularly with 3ERT (-5.44 kcal/mol), followed by 5F90, 7E9B, and 3EWD. These findings suggest that …
Published in Emerging Trends in Chemical Engineering · Vol. 12, Issue 2, 2025 · pp. 1–17 Read article
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Examining the role of banks in financing nuclear power programs for a green economy and clean energy transition
Abstract: Nuclear power programs have the potential to contribute to deep, multi-sector and economy-wide decarbonization as sources of reliable, low emissions intensity thermal and electrical energy. However, nuclear power projects are complex, capital-intensive ventures with significant financial risks associated with them. Therefore, financing has been a critical issue for these projects. To accelerate their deployment to meet clean energy transition targets of nations and institutions, financial institutions like banks can play …
Published in Journal of Nuclear Engineering & Technology · Vol. 15, Issue 1, 2025 · pp. 28–39 Read article
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Attendance System Based on Facial Recognition
Abstract: Attendance management is a fundamental aspect of educational institutions and workplaces, ensuring accountability, discipline, and operational efficiency. Traditional methods, such as manual roll calls, RFID cards, and fingerprint scanners, are often time-consuming, error-prone, and susceptible to fraud. This research presents an automated attendance management system utilizing face recognition technology to address these challenges effectively. The proposed system employs OpenCV for real-time image processing, the face recognition library for accurate facial …
Published in International Journal of Electronics Automation · Vol. 3, Issue 1, 2025 · pp. 28–34 Read article
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VHDL Programming for Secure Bootloaders in IoT Security
Abstract: The proliferation of Internet of Things (IoT) devices has brought unparalleled connectivity and convenience. However, this increased connectivity comes with a heightened risk of security vulnerabilities. One of the most critical areas for securing IoT devices is the bootloader, the software responsible for initializing the device and loading the operating system. A compromised bootloader can lead to a complete takeover of the device, making it a prime target for malicious …
Published in International Journal of VLSI Circuit Design & Technology · Vol. 3, Issue 1, 2025 · pp. 19–28 Read article
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Securing IoT Wilderness with VHDL
Abstract: The Internet of Things (IoT) has revolutionized connectivity by integrating billions of devices and reshaping industries. However, this vast network also brings substantial security concerns. From compromised sensors to hijacked industrial control systems, the vulnerabilities within IoT devices can have far-reaching consequences. Hardware Security Modules (HSMs) provide a reliable and secure environment for performing cryptographic operations and safeguarding sensitive data. This article explores the crucial role of VHDL (VHSIC Hardware …
Published in International Journal of VLSI Circuit Design & Technology · Vol. 3, Issue 1, 2025 · pp. 29–40 Read article
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A Review Natural Ventilation by Using Solar Chimney
Abstract: A solar chimney is an effective and sustainable ventilation technology designed to enhance airflow within residential and commercial buildings by utilizing natural convection. Operating on principles like a traditional fireplace, a solar chimney harnesses solar energy to generate an upward air movement, creating a pressure difference that drives passive ventilation. The system comprises a vertical shaft, usually constructed with heat-absorbing materials, which captures solar radiation and heats the enclosed air. …
Published in International Journal of Electrical Power and Machine Systems · Vol. 3, Issue 1, 2025 · pp. 22–28 Read article
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Replacement of Fine Aggregate in Concrete Using Bakelite Powder: A Review
Abstract: This review explores the feasibility of incorporating Bakelite, a thermosetting synthetic polymer known for its durability, heat resistance, and insulating properties, as a partial replacement for fine aggregate in concrete. The increasing focus on sustainable construction practices has driven interest in utilizing industrial waste materials like Bakelite to reduce environmental pollution while enhancing concrete performance. Bakelite, often discarded as industrial waste, presents an opportunity to improve the mechanical and durability …
Published in Recent Trends in Civil Engineering & Technology · Vol. 15, Issue 1, 2025 · pp. 6–10 Read article
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Kinematic Relations of Particle Motion using Polar Cylindrical Coordinates System: Applications in Robotics and AI
Abstract: This paper explores the motion of a particle in space using the cylindrical polar coordinate system. It presents the physics of particle motion by defining spatial positions in three-dimensional polar coordinates and examining the particle’s kinematics—namely its position, velocity, and acceleration—in vector form. These quantities are mathematically expressed as functions of time, accounting for the changing coordinates in radial, angular, and vertical directions. This coordinate system proves especially useful for …
Published in Research & Reviews : Journal of Physics · Vol. 14, Issue 1, 2025 · pp. 12–16 Read article
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Differential Model of Wave Vibration on Strings and Rods
Abstract: Vibration, as a physical phenomenon, plays a multifaceted role in both natural and engineered systems. Beyond its essential contribution to communication through sound and speech, it finds critical application in various technological domains. For instance, in the design of stringed musical instruments such as violins and guitars, precise manipulation of string vibrations defines tonal quality and musical resonance. Similarly, metal rods in tuning forks exhibit vibrational properties that are finely …
Published in Research & Reviews : Journal of Physics · Vol. 14, Issue 1, 2025 · pp. 17–21 Read article
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Swarm Intelligence in Software Engineering: A Systematic Review of Crowd-Based Development Models
Abstract: The crowd-based software production model has emerged as a transformative paradigm, leveraging global collaboration, decentralized governance, and artificial intelligence (AI)-driven automation to develop software efficiently. Traditional software development models, characterized by centralized control and in-house teams, are increasingly giving way to distributed, community-driven efforts. Key advancements such as blockchain-based decentralized autonomous organizations (DAOs), AI-assisted coding and debugging, and edge computing applications are reshaping the landscape of software engineering. DAOs provide …
Published in Journal of Software Engineering Tools & Technology Trends · Vol. 12, Issue 2, 2025 · pp. 01–11 Read article
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The Role and Functions of Computer Engineers
Abstract: Computer engineers play a crucial role in shaping the ever-evolving technological landscape by designing, developing, and optimizing computer systems and software. Their expertise spans various domains, including hardware design, embedded systems, software development, cybersecurity, and network architecture. These professionals contribute significantly to advancements across multiple industries, from healthcare and finance to telecommunications and artificial intelligence. This article delves into the diverse responsibilities of computer engineers, highlighting their involvement in problem-solving, …
Published in Journal of Software Engineering Tools & Technology Trends · Vol. 12, Issue 2, 2025 · pp. 37–51 Read article
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Strategies of Biopesticide Development and Application: The Hype and Hope
Abstract: This review presents a comprehensive analysis of biopesticides, examining their types, mechanisms of action, and role as eco-friendly alternatives to conventional chemical pesticides. It provides insights into the development strategies of biopesticides and explores their effectiveness in managing agricultural pests. The review also discusses market trends, identifying challenges and strategies faced by manufacturers and stakeholders in promoting biopesticides. It addresses the increasing interest in these sustainable solutions, distinguishing between the …
Published in Research and Reviews : A Journal of Life Sciences · Vol. 15, Issue 2, 2025 · pp. 34–50 Read article
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KVS Approach for IoT Network Security: A Novel Approach to IoT Network Security With B-Cell Inspired Models
Abstract: Internet of Things (IoT) is rapidly expanding, connecting billions of devices that collect, process, and transmit data. This interconnectedness, while offering immense opportunities, also presents significant security challenges. Customary security mechanisms often scuffle to retain stride with the vibrant and assorted form of IoT environments. In response, innovative security concepts are being explored, and one promising approach is the B-Cell concept called as KVS approach for IoT security. In immunology, …
Published in Journal Of Network security · Vol. 13, Issue 2, 2025 · pp. 16–25 Read article
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A Comprehensive Review of CAN Bus And IEEE 802.11b Networks: Evolution, Performance, and Wireless Extensions
Abstract: The Controller Area Network (CAN) bus has been a cornerstone in vehicular communication, facilitating robust and efficient data exchange among electronic control units (ECUs). This paper provides a comprehensive review of the classical CAN bus, CAN FD, and their key attributes, including message prioritization, arbitration mechanisms, and error detection. Additionally, the paper explores the IEEE 802.11b wireless standard, emphasizing its potential for extending CAN-based networks into wireless domains. The study …
Published in Journal Of Network security · Vol. 13, Issue 2, 2025 · pp. 26–39 Read article
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Unmanned Aerial Vehicle Using AI-ML
Abstract: Remotely piloted aircraft systems (RPAS), commonly known as drones, have evolved significantly in recent years, revolutionizing various industries and domains. This article provides an overview of the key aspects of RPAS technology, their applications, and the impact they have had on society. RPAS are autonomous or semi-autonomous aerial vehicles that can be controlled remotely, offering diverse capabilities, from data collection and surveillance to cargo delivery and recreational activities. This abstract …
Published in International Journal of Satellite Remote Sensing · Vol. 3, Issue 1, 2025 · pp. 11–19 Read article
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Advancements in O-Glycosylation Techniques with Diverse Donor Molecules
Abstract: Since the early stages of carbohydrate chemistry, numerous researchers have employed alkynyl glycosyl donors as key reagents in glycosylation reactions. These donors have played a crucial role in facilitating the synthesis of glycosidic bonds, an essential aspect of carbohydrate-based compounds. Over time, various modifications and improvements have been introduced by different research groups to enhance the efficiency, selectivity, and sustainability of glycosylation processes. A major focus has been on designing …
Published in International Journal of Cheminformatics · Vol. 3, Issue 1, 2025 · pp. 7–28 Read article
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Real-Time Cab Fare and ETA Prediction Using API Integration
Abstract: The exponential proliferation of ride-hailing platforms has necessitated the formulation of sophisticated and highly responsive predictive models for cab fare estimation and estimated time of arrival (ETA) computation. This work elucidates a robust framework leveraging real-time application programming interface (API) integration from Uber and Ola within a Flutter-based ecosystem to enhance predictive analytics. By assimilating real-time geospatial data, dynamic pricing algorithms, and latency-optimized API responses, this study investigates the empirical …
Published in Journal of Computer Technology & Applications · Vol. 16, Issue 2, 2025 · pp. 08–15 Read article
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Modeling of ZnO Based Nano Sensor Device for Evaluating Electronic Interaction with NO2 Pollutant: Combining Multiphysics Simulation and DFT Study
Abstract: This study focuses on the designing and modeling of a sensor device employing zinc oxide (ZnO) nanowires (NWs), and the evaluation of the chemical response of the same in the presence of nitrogen dioxide (NO2), which is an acute harmful pollutant for human health and environment. Experimentally synthesized ZnO nanostructures were used as the basis for modeling of the ZnO NWs based sensor device along with a single ZnO NW, …
Published in Journal of Polymer & Composites · Vol. 13, Issue 2, 2025 · pp. 211–219 Read article
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Fabrication and Characterization of Almond Skin Powder Reinforced PLA Based Composite Filaments for Fused Filament Fabrication
Abstract: Researchers around the globe are increasingly utilizing recycling methods to address waste generated from polymers, spurred by the dire need to deal with environmental challenges promoting sustainable practices. Polymers are having highly-stable long-chain polymer structure which makes it difficult to degrade easily posing many environmental and health challenges, hence, recycling of the polymers is the sole method to mitigate harmful effects. However, there has been relatively little focus on producing …
Published in Journal of Polymer & Composites · Vol. 13, Issue 2, 2025 · pp. 530–539 Read article
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Phytochemical, Pharmacological and Toxicological Studies of Solanum americanum: A Systemic Review
Abstract: Solanum americanum, a plant widely used in folk medicine, has recently gained attention in the scientific community due to its diverse therapeutic potential. The bioactive compounds found in different plant parts, such as alkaloids, flavonoids, and tannins, have significant medicinal effects. These compounds exhibit several pharmacological properties, such as antimicrobial, anti-inflammatory, anticancer, and antioxidant effects. However, despite these medicinal benefits, some compounds show significant toxicity to the human body if …
Published in Research & Reviews : Journal of Herbal Science · Vol. 14, Issue 2, 2025 · pp. 52–62 Read article