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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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Experimental Study on the Strength Enhancement of Carbon Fiber Reinforced GGBS Concrete
Abstract: This study provides an in-depth analysis of the experimental investigation conducted on carbon fiber reinforced GGBS concrete (CFRGC). The primary objective of the research was to evaluate the effects of carbon fibers on various mechanical properties of concrete, with a particular focus on strength parameters. In this study, the carbon fiber content was systematically varied from 0.5% to 1.5% by weight of cement, in increments of 0.5%, to determine the …
Published in Journal of Structural Engineering and Management · Vol. 11, Issue 3, 2024 · pp. 36–50 Read article
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From Theory to Practice: The Mathematical Foundations of Secure Blockchain Transactions
Abstract: The rise of blockchain technology has transformed the method of conducting secure and decentralized transactions across multiple industries. At its core, blockchain relies on a robust mathematical foundation to ensure data integrity, transparency, and immutability. This paper delves into the theoretical underpinnings that make secure blockchain transactions possible, including cryptographic algorithms, distributed consensus protocols, and mathematical proofs of security. We begin by exploring the role of cryptography, particularly public-key encryption, …
Published in Journal of Advanced Database Management & Systems · Vol. 12, Issue 1, 2025 · pp. 13–20 Read article
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AI-Driven Psychological Profiling on Social Media: Mechanisms, Ethical Breaches, and Regulatory Challenges in Data Inference
Abstract: This literature review examines AI-driven psychological profiling on social media, analyzing 21 academic studies that focus on machine learning techniques such as supervised learning, deep neural networks, sentiment analysis, and natural language processing. These methodologies infer mental health indicators—such as depression, anxiety, and stress—from users' digital footprints, encompassing linguistic patterns, engagement metrics, and temporal behaviors. While these tools offer potential for early detection of psychological distress, they also raise significant …
Published in Recent Trends in Social Studies · Vol. 2, Issue 1, 2025 · pp. 1–7 Read article
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Antibiotic Resistance in Microbes: History, Mechanisms, Therapeutic Approaches, and Strategies for Mitigation
Abstract: The global emergence of clinically significant antibiotic resistance is increasingly linked to the environment. Antimicrobials, metals, and biocides are just a few of the substances that are released into the environment through paths that are regulated by environmental regulators. Consequently, environmental regulators ought to be heavily involved in developing national and international antimicrobial resistance (AMR) measures. Antimicrobial compounds from pharmaceutical waste, agricultural runoff, and wastewater discharge contribute to the spread …
Published in International Journal of Antibiotics · Vol. 2, Issue 2, 2025 · pp. 1–11 Read article
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A Review of Drug Design Techniques Assisted by Computers to Combat Diabetes
Abstract: Diabetes mellitus is a global health concern characterized by chronic hyperglycemia and associated complications. The creation of innovative medicines with enhanced efficacy and safety profiles continues to be a top focus, notwithstanding improvements in treatment. A useful method in drug development, computer-aided drug design (CADD) makes it easier to identify possible therapeutic candidates and optimise lead molecules. An extensive synopsis of CADD tactics used in the fight against diabetes is …
Published in Emerging Trends in Personalized Medicines · Vol. 2, Issue 1, 2025 · pp. 1–10 Read article
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Innovative Approaches to Luminescence: Exciton-Polariton Lasers and Quantum Confinement in 2D Materials
Abstract: The phenomenon known as luminescence occurs when an external energy of any kind excites a substance's electronic state, and the excited energy is released as light. Luminescence is the absence of heat produced by light emission. Luminescence comes in a variety of forms, including thermoluminescence, bioluminescence, and chemiluminescence. Examples of luminescence include flat-screen TVs, LED lights, and bioluminescent phytoplankton. The measurement of the emission spectrum produced when previously excited atoms …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 2, Issue 1, 2024 · pp. 26–33 Read article
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Development of Robot Arm Fingers with Polymer Soft Materials
Abstract: Lightweight soft material applications have attracted attention to Basalt Fiber Reinforced Polymer (BFRP) laminates because of their impressive mechanical characteristics. The impact response and stress-strain behavior of epoxy resin laminates armored with basalt fiber and banana fiber are investigated during this project using computational and experimental approaches. The hand lay-up method was employed to create laminates with a thickness of 3 mm, dimensions of 300x300 mm², and a layout of …
Published in Journal of Polymer & Composites · Vol. 13, Issue 2, 2025 · pp. 432–439 Read article
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Experimental Investigation on Mechanical Characterization of Electrodeposited Shot Peened Copper Coated and Un-Coated Mild Steel
Abstract: The fatigue strength of fabricated copper coating on mild steel specimens under repeated loading and the overall number of cycles to failure has been investigated. The specimens of copper coating on mild steel substrate are fabricated by using an electro deposition shot peening method. The hardness behaviour of fabricated specimens studied and the experimental work has been carried out by using Vickers Micro Hardness under the load of 20N force. …
Published in Journal of Polymer & Composites · Vol. 13, Issue 3, 2025 · pp. 279–288 Read article
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Self-Healing Polymer Composites for Pharmaceutical Packaging Applications
Abstract: Pharmaceutical packaging plays a crucial role in ensuring the safety, stability, and effectiveness of pharmaceutical products. Conventional polymer-based packaging materials are prone to mechanical damage, microcracks, and environmental degradation, which can compromise drug integrity. Self-healing polymer composites (SHPCs) offer a promising solution by enabling autonomous or stimuli-responsive repair mechanisms that restore packaging integrity, enhance durability, and extend product shelf life. These materials function through intrinsic mechanisms, such as dynamic covalent …
Published in Journal of Polymer & Composites · Vol. 13, Issue 4, 2025 · pp. 648–658 Read article
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Density Functional Theory (DFT): Understanding and Quantifying Molecular Structure of 2-D Materials
Abstract: Density Functional Theory (DFT) has emerged as a cornerstone in computational chemistry and materials science, offering a powerful framework for predicting electronic structures and properties of atoms, molecules, and solids. By focusing on electron density rather than wave functions, DFT simplifies the many-body problem through approximations like the local density approximation (LDA) and generalized-gradient approximations (GGAs). The Hohenberg-Kohn theorems establish the theoretical foundation, proving that ground-state properties are uniquely determined …
Published in Journal of Microelectronics and Solid State Devices · Vol. 12, Issue 2, 2025 · pp. 33–40 Read article
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Evaluating the Optimal Alccofine-1203 Replacement Ratio in M20 Grade Concrete
Abstract: The primary objective of this research is to investigate the potential of partially replacing cement with Alccofine 1203 in M20 grade control concrete and to evaluate the resulting effects on the mechanical properties of the concrete. Alccofine 1203, a high-performance mineral admixture known for its ultrafine particle size and high reactivity, was used as a partial cement substitute at varying replacement levels of 5%, 10%, and 15% by weight of …
Published in Journal of Polymer & Composites · Vol. 13, Issue 4, 2025 · pp. 294–299 Read article
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Internet of Things Connectivity Using Millimetre Wave: A Study
Abstract: Internet of Things(IoT) is undergoing rapid development, which is connecting millions of devices and causing sectors to undergo transformation. On the other hand, given this increase, the constraints of conventional wireless communication technologies are being stretched to their limits. Millimetre wave, often known as mmWave, is a high-frequency band that has the potential to revolutionise Internet of Things connectivity by providing much higher capacity levels and lower latency levels. Microwave …
Published in Journal of Microwave Engineering and Technologies · Vol. 12, Issue 2, 2025 · pp. 18–30 Read article
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Robust Access Control Mechanisms Using VHDL Programming for IoT Security
Abstract: The Internet of Things (IoT) devices are increasingly becoming targets for criminal actors. A compromised device can result in data breaches, denial-of-service attacks, and even physical damage. While software-based security solutions are important, they are susceptible to attacks and often impose significant overhead, negatively impacting both performance and battery life. A viable alternative is provided by hardware-based security, which takes advantage of the inherent security benefits that are associated with …
Published in Journal of VLSI Design Tools and Technology · Vol. 15, Issue 2, 2025 · pp. 6–1`9 Read article
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Next-Generation Conductive Polymer Composites for Flexible and Wearable Electronics
Abstract: The rising demand for flexible and wearable electronics has accelerated research into conductive polymer composites (CPCs) due to their lightweight nature, electrical conductivity, and mechanical flexibility. Despite significant advancements, challenges such as reduced conductivity under mechanical deformation and limited durability persist. This study aims to develop next-generation CPCs with enhanced conductivity, flexibility, and self-healing capabilities. Hybrid nanofillers—graphene, carbon nanotubes (CNTs), and silver nanowires (AgNWs)—were incorporated into bio-based conductive polymers through …
Published in Journal of Polymer & Composites · Vol. 13, Issue 5, 2025 · pp. 550–566 Read article
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Advanced Security Mechanisms for Protecting Mobile Devices: A Comprehensive Analysis of Threats and Counter Measures
Abstract: The digitization of clinical care has led to significant advancements in medical devices and telemetry, fundamentally transforming the healthcare landscape. These innovations have enhanced the quality of patient care by enabling more accurate diagnoses, real-time monitoring, remote consultations, and increased transparency in clinical workflows. As a result, modern medical practices have become more efficient, data-driven, and patient-centric. Devices such as infusion pumps, pacemakers, ventilators, and wearable monitors now rely heavily …
Published in Trends in Opto-electro & Optical Communication · Vol. 15, Issue 3, 2025 · pp. 24–31 Read article
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The Evolution of Ransomware: In-Depth Analysis of Threat Development and Modern Defense Mechanisms
Abstract: Ransomware is the most severe of all cybersecurity threats the contemporary digital world is confronted with. It is a form of malware that encrypts a victim's information and requests ransom, usually in cryptocurrency, for its decryption. From its first appearance in the late 1980s, ransomware grew from simple malware into very advanced and targeted attacks that can be used to bring down entire organizations, businesses and critical infrastructure. This study …
Published in Journal Of Network security · Vol. 13, Issue 3, 2025 · pp. 35–43 Read article
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Molecular Characterization Phylogenetic Analysis from E.coli Isolated from Human and Cows Raw Milk
Abstract: E. coli is a significant pathogen that contributes to the genesis of both human and animal diseases. 20 different E. coli isolates were found in milk, stool, and utensil samples. Depending on whether each E. coli strain has the gene, the chuA, and the DNA segment TspE4.C2 has joined. the intestinal groups A and B1 as well as the extraintestinal groups B2 and D. The findings of the PCR-based analysis …
Published in Research and Reviews : A Journal of Life Sciences · Vol. 15, Issue 3, 2025 · pp. 1–8 Read article
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Effect of Process Variables on the Mechanical Characteristics of form Fabricated Materials
Abstract: Additive manufacturing prominent rapidly advancing technologies for producing 3D-printed products. Initially developed by stratasys, FDM technology emerged during the 1980s. This additive manufacturing technique builds products by extruding semi-molten material through a nozzle onto a platform. PLA and ABS are among numerous thermoplastics that are commonly used as filaments in this procedure. Purpose of research was to observe the effect of variables such as infill percentage, bed temperature, printing speed …
Published in International Journal of Machine Systems and Manufacturing Technology · Vol. 3, Issue 2, 2025 · pp. 32–39 Read article
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Molecular Transport Kinetics of Non-Polar Solvents Through AGNP Filled EPDM Elastomeric Composites
Abstract: EPDM Based rubber composites can be used in tank and pipe lining works. In these applications one of the major requirements is that the composite must have good fluid permeability and chemical degradation resistances in their working environment. In order to enhance the performance of EPDM rubber to suit these applications, scientists and engineers are trying to develop novel nanocomposites by incorporating nano fillers. In the present work, to ensure …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 993–1006 Read article
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Pathways in Drug Discovery and Development: From Molecular Targets to Market Approval
Abstract: A complicated, multidisciplinary, and resource-intensive process, the discovery and development of new pharmacological drugs is essential to the advancement of contemporary medicine. Finding and optimising lead chemicals comes after a disease-relevant biological target has been identified and validated. Through preclinical research in animal models, these leads are thoroughly assessed for toxicity, pharmacokinetics, safety, and efficacy. Clinical trials, which are carried out in several stages to evaluate safety, efficacy, ideal dosage, …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 13, Issue 1, 2026 · pp. 01–04 Read article