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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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Physio-Mechanics Experimental Characterization of Natural Fiber Polymer Composites for a Boat Hull
Abstract: Composite materials which will provide for improved mechanical properties- a focus there to develop light weight, more rugged, stronger ship hull materials. The various application of glass fibers reinforced composites can be seen in the marine applications such as boat hull, but incase of failing badly, they are non-recyclable and poses the threat to health hazards for aquatic animals and human beings which is their significant disadvantage. MARPOL Annex V, …
Published in Journal of Polymer & Composites · Vol. 14, Issue 4, 2026 Read article
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Photochemical Detoxification of Arsenic- and Mercury-Contaminated Soils: Geochemical Mechanisms and Pathways
Abstract: This study evaluates the geochemical aspects of soil detoxification in areas contaminated with arsenic (As) and mercury (Hg), emphasizing sustainable strategies for improving soil health and ensuring safe crop production. The research provides an ecological and toxicological assessment of regional soils and classifies them base on the concentration and mobility of toxic elements. Although the current levels of As and Hg do not yet present a critical risk to agricultural …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 4, Issue 1, 2026 · pp. 06–10 Read article
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Unani Concepts of Brain Pathology: Humoral Mechanisms in Māddī Neurological Disorders
Abstract: Background The Unani System of Medicine (USM) considers the brain (Dimāgh) as the principal organ of Quwā Nafsāniyya (psychic faculties), responsible for sensation, cognition, memory, movement, and emotional regulation. According to Unani principles, health is maintained through equilibrium of Mizāj (temperament) and Akhlāṭ (humours), whereas disease develops when this balance is disturbed. Among neurological disorders, Sū’-i-Mizāj Māddī Dimāgh refers to pathological conditions of the brain associated with the accumulation of …
Published in Journal of AYUSH: Ayurveda, Yoga, Unani, Siddha and Homeopathy · Vol. 15, Issue 2, 2026 Read article
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The Global and Regional Challenge of Pan-Antibiotic Resistance: A Review of Emerging Threats and Mechanisms
Abstract: Antimicrobial resistance (AMR) is one of the major and most intricate threats to the health of the 21st century as it is core to the undermined expertise of the common clinical practice and public health security worldwide. The problem is characterized by the extensive development of bacterial pathogens into extremely drug-resistant (XDR) and pan-drug-resistant (PDR) so- called superbugs faster than it can be done with therapeutics. It is a synthesis …
Published in International Journal of Antibiotics · Vol. 3, Issue 2, 2026 Read article
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Diet-Driven Enhancement of Immune Resilience, Disease Resistance, and Performance: Mechanistic Insights, Nutritional Interventions, and Implications for Sustainable Dairy Development
Abstract: This review synthesizes current knowledge on how dietary strategies can strengthen immune resilience, improve disease resistance, and enhance productive performance in dairy systems while advancing sustainable development. Immune function in dairy cattle is profoundly influenced by nutrition, with energy, protein, essential amino acids, fatty acids, vitamins, minerals, and bioactive compounds playing critical roles in shaping both innate and adaptive immune responses. Suboptimal nutrition impairs immune competence, increases susceptibility to infectious …
Published in Research and Reviews : A Journal of Immunology · Vol. 16, Issue 2, 2026 · pp. 15–24 Read article
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Immune Boosting Functional Foods for Strengthening Host Defense Mechanism to Combat in Opposition to Covid-19 and Unani Guidelines of Ayush for Its Prevention
Abstract: The Immune systems protect the host in opposition to infectious and poisonous diseases and guard from contagious agents present in the environment, such as viruses, fungi, bacteria, and parasites. Blood performs an essential position in enhancing immunity because of the arrival of white blood cells or tissues that combat in opposition to infectious diseases. Sometimes they are not able to understand those organisms. Due to this reason, we want to …
Published in Research & Reviews : A Journal of Unani, Siddha and Homeopathy Read article
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Short Report to Describe the Surface-driven Microfluidic Flow in Fluid Mechanics
Abstract: In this short report, a brief review on surface-driven microfluidic flow is provided. Also, the maskless lithography and indirect bonding technique are used to fabricate a single SU-8 based glass microfluidic device. Dyed ethylene glycol is prepared as working liquid to test the fabricated device. The surface-driven microfluidic flow of dyed ethylene glycol is recorded by a CMOS camera catching 25 frames per second with a corresponding time-scale resolution of …
Published in Recent Trends in Fluid Mechanics Read article
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Failure Analyses of 16 mm Thick SA 516 GR 70 Auto Clave
Abstract: With the acceleration of global industrialization, there is a demand for high-or low-pressure storage of liquids or gases. Because of the complicated operating conditions that will inevitably encounter a possible hazard, pressure vessel design is a critical responsibility. Previous failure studies have revealed that the presence of local loads and discontinuities increases pressure vessel fracture. As a result, a detailed examination of pressure vessel steel from the standpoint of fracture …
Published in Trends in Mechanical Engineering & Technology Read article
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Computational Molecular Docking Studies to Design Novel 2, 3-Substituted-1-(4-(Piperidin-1-yl) butyl)-1H- indol-5-ol Derivatives for Estrogen Receptor Alfa in AF-2 Domain
Abstract: The present manuscript describes the designing of novel 2, 3-Substituted-1-(4-(Piperidin-1-yl) butyl)- 1H-indol-5-ol derivatives as specific estrogen receptor alfa modulators and their screening by docking studies to determine the binding interaction for the best-fit conformations in the binding site of the ERα receptor. Based on the results of docking studies, the selected ligands reveal the all- important functional groups of the ligands that interact with active amino acid residues in the …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 12, Issue 3, 2025 · pp. 15–49 Read article
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Semiconductor Physics and Micron Scale Fluid Mechanics towards the Microelectromechanical Systems Associated with Nanotechnology
Abstract: Interrelations among semiconductor physics, microfluidics, nanofluidics and nanotechnology are briefly described. A single microchannel bend is designed and fabricated by author using the maskless lithography, hot embossing lithography and direct bonding. Dyed water is the selected and prepared working liquid in this work. Surface-driven (passive) capillary flow of working liquid is recorded in the fabricated microchannel bend using a CMOS camera. This work may be useful in applied chemistry.
Published in Research & Reviews : Journal of Physics Read article
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Molecular Docking Studies of Wildtype P53 with Damnacanthal and Scopoletin- Phytochemicals Derived from Morinda Citrifolia
Abstract: Cancer is a prominent cause of mortality globally, and it has the potential to impact any region of the body. The tumor suppressor protein P53 plays a significant role in inhibiting tumor growth by regulating DNA repair, inducing cell cycle arrest, promoting senescence, and triggering apoptosis when confronted with genotoxic stress. P53 is found mutated in 50% of cancers where it loses its tumor suppressive properties and gains oncogenic properties …
Published in International Journal of Molecular Biotechnological Research · Vol. 1, Issue 2, 2023 · pp. 20–31 Read article
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Molecular Docking studies of Benzodiazepine Derivatives With GABA(B) Receptor
Abstract: Benzodiazepines (BZDs) are pharmacologically significant compounds that act by binding to GABA A neurotransmitter receptors, subsequently augmenting GABA-induced chloride ion flux, consequently inducing neuronal hyperpolarization. Benzodiazepines are commonly used in the treatment of sleep disorders, anxiety, muscle spasms, seizure disorders, and some forms of depression. The primary inhibitory neurotransmitter, GABA, functions on two types of receptors: the ligand-gated GABA A/C receptors and the G protein-coupled GABA B receptors. These neurotransmitters …
Published in International Journal of Toxins and Toxics · Vol. 1, Issue 2, 2024 · pp. 1–14 Read article
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Investigation on the mechanical characteristics and productivity of GGBS based geopolymer mortars
Abstract: It has been known for decades that geopolymer will significantly replace cement's function in construction industry. Geopolymer has low creep and shrinkage and a peak compressive strength. That is as per a recent study, geopolymer mortar is made by Fly ash and GGBS. The composition includes (100-60%) GGBS with a 10% substitution of fly ash. Alkali activators used in the research are sodium hydroxide (NaOH) and sodium silicate (Na2SiO3). In …
Published in Journal of Polymer & Composites · Vol. 12, Issue 2, 2024 · pp. 253–264 Read article
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Traffic Management System using Divider Shifting Mechanism
Abstract: This paper addresses traffic congestion through innovative solutions, including movable dividers that adjust road configurations and lanes dynamically. Real-time monitoring, using sensors and cameras, coupled with advanced algorithms, optimizes traffic flow by reallocating lanes according to changing conditions such as rush-hour congestion or accidents. Additionally, the system integrates variable speed limits and dedicated lanes for pedestrians and cyclists to enhance safety and accommodate diverse transportation modes. Centralized integration with a …
Published in Journal of Production Research & Management · Vol. 14, Issue 1, 2024 · pp. 21–28 Read article
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Exploring the Dynamics of Memristors: Mechanisms, Models, and Multifaceted Applications
Abstract: Memristors, a fundamental electronic component first proposed by Leon Chua in 1971, have garnered significant attention due to their unique electrical behavior and promising applications in various fields. This paper provides a comprehensive overview of memristors, covering their basic principles, characteristics, fabrication methods, and applications of Memristor and it’s significance with flux charge linkage. The paper also shows study of a grounded memristor emulator and it’s working as a memristor …
Published in Journal of VLSI Design Tools and Technology · Vol. 14, Issue 1, 2024 · pp. 1–7 Read article
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Molecular Docking Studies for the Identification of Mycobacterial Adenosine Triphosphate (ATP) Synthase Inhibitors Using Active Phytocompounds from Plants Curcuma longa, Curcuma zedoaria and Galipea officinalis
Abstract: Objective: Tuberculosis (TB), known in human history for several decades, remains the second leading infectious disease after COVID-19. Still, the occurrence of TB increases due to the bacterium’s greater survival nature. They can survive in extreme conditions by being in long latency and adapting to the host. This study seeks to identify potential inhibitors from Curcuma longa, Curcuma zeodaria, and Galipea officinalis based on ancient folklore and compare them against …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 2, Issue 1, 2024 · pp. 16–26 Read article
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Development of a Self-Cleaning Mechanism for Solar Panels to Enhance Efficiency
Abstract: On Earth, solar energy is the most plentiful source of energy. As it happens, the heat generated by the fusion of helium on the outermost part of the Sun additionally happens to be renewable. This energy is becoming popular because of natural advantages. In digital circuit design, AI can aid in logic synthesis and analog circuit design, AI can help in sizing transistors. The tools used to transform daylight into …
Published in Journal of Mechatronics and Automation · Vol. 11, Issue 1, 2024 · pp. 1–10 Read article
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Development of Hybrid Detection and Alert mechanism for Women Safety using AI
Abstract: The integration of AI-based smart surveillance systems in enhancing women's safety and security has been a focal point of research and development. This literature study explores the impact of information technology advancements, particularly in the realm of mobile applications, GPS tracking, and social media platforms, on improving women's safety. Noteworthy contributions include the development of apps such as Circle of 6 and Be Safe, which offer women immediate access to …
Published in Journal of Remote Sensing & GIS · Vol. 15, Issue 1, 2024 · pp. 36–46 Read article
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Mechanically Operated Portable Hydrotesting Setup
Abstract: Hydrostatic testing is a crucial process in ensuring the integrity and safety of pressure vessels, pipelines, and various other industrial equipment. Traditional hydrostatic testing setups often require significant infrastructure and resources, limiting their accessibility and flexibility, especially in remote or constrained environments. This research paper presents the design, development, and implementation of a portable hydro testing setup tailored to address these challenges. The proposed setup offers a compact, versatile, and …
Published in International Journal of Robotics and Automation in Mechanics · Vol. 2, Issue 1, 2024 · pp. 21–27 Read article
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SF6 Circuit Breakers: A Comprehensive Study of Mechanisms and Benefits
Abstract: This report presents an assessment of the dependability of sulfur hexafluoride (SF6) circuit breakers in substations for the transmission, with the considered potential areas of deterioration identified in the device. The aging process has a tangible impact on the equipment, potentially diminishing its strength and increasing the likelihood of malfunction. The reliability of the equipment cannot be determined solely by its age, as its actual condition is influenced by wear …
Published in Trends in Electrical Engineering · Vol. 14, Issue 3, 2024 · pp. 33–38 Read article