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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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A Quasi-Experimental Investigation of The Effects of Two Different Negative Pressure Levels During Open Endotracheal Tube Suctioning on Physiological Parameters in Mechanically Ventilated Patients in The PCCM ICU At Pt. B.D. Sharma P.G.I.M.S., Rohtak
Abstract: Introduction: Patients who are intubated often have difficulty clearing secretions through coughing. As a result, endotracheal suctioning is essential to minimize the risk of consolidation and atelectasis, which could impair ventilation. However, suctioning can pose several risks and complications, including bleeding, infection, atelectasis, hypoxemia, cardiovascular instability, increased intracranial pressure, and potential damage to the tracheal mucosa. The level of negative pressure applied during suctioning plays a crucial role in the …
Published in International Journal of Emergency and Trauma Nursing and Practices · Vol. 2, Issue 2, 2024 · pp. 29–58 Read article
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An Overview of The Impact of Reinforcement on Mechanical and Thermal Characteristics of Aluminum Alloy Composites
Abstract: Aluminum is utilized extensively in the domains of aerospace, electronic technology, electric module packing, automotive body structure, solar and wind energy management, and so on because of its better potential for weight reduction. Strength of aluminum is very less so application is limited where high strength is needed. Aluminum alloy which have greater potential for weight reduction as well as high strength to weight ratio have ability to overcome these …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 240–249 Read article
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Mechanical behaviour of Glass and Carbon fiber reinforced composites
Abstract: Components made with fiber reinforced composites are replacing components made with the conventional materials is due to holding superior mechanical properties and high specific strength with good corrosion resistance. These favourable attributes are not possible with a conventional monolithic material. Composites are developed with matrix and fibers as reinforcement material, the reinforcement fibers are playing a crucial role to attain a high strength property. Glass and carbon fibers are using …
Published in Journal of Polymer & Composites · Vol. 12, Issue 6, 2024 · pp. 253–257 Read article
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Influence of Nozzle Temperature, Nozzle Diameter, and Layer Height on Tensile and Hardness Characteristics of 3D Printed CF-PLA
Abstract: This research investigates the mechanical characterization of CF-PLA (Carbon Fiber-reinforced Polylactic Acid) composite material produced using Fused Deposition Modeling (FDM) technology. The study investigates the impact of different machine parameters, like nozzle temperature, nozzle diameter, and layer height, on the tensile property and hardness of CF-PLA specimens. A total of 27 samples were produced, each with different combinations of nozzle temperature (190°C, 200°C, and 210°C), nozzle diameter (0.4mm, 0.5mm, and …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 674–681 Read article
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The Integration of AI Technologies in Automating Cyber Defense Mechanisms for Cloud Services
Abstract: The swift growth of cloud computing has transformed how organizations handle and store data, providing greater scalability and adaptability. However, the transition to cloud-based environments has heightened the complexity of cybersecurity challenges, especially in detecting and responding to security incidents. Conventional methods of incident response, which heavily depend on manual efforts, are no longer adequate to address the rapidly evolving and complex nature of modern cyber threats. This study explores …
Published in Journal of Operating Systems Development & Trends · Vol. 12, Issue 1, 2025 · pp. 1–14 Read article
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Fabrication and Mechanical Characterization of Hybrid Metal Matrix Composite Castings
Abstract: This work investigates and addresses the casting of a novel hybrid composite material with tungsten carbide and aluminum-silicate particles mixed at varying weight fraction rates. Production of hybrid composite has some advantages if it is processed by near net shape techniques. The simplest method for dealing with this hybrid composite is the turbulence produced by the vortex agitating technique. The vortex mixing method is used in this study to create …
Published in Journal of Experimental & Applied Mechanics · Vol. 15, Issue 3, 2024 · pp. 32–38 Read article
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Mechanical Property Assessment of Hybrid Fiber Reinforced Composites Through Experimental Research
Abstract: Natural fibre reinforced composites are gradually taking the place of synthetic fibre composites due to its inexpensive cost, low density, and ease of supply. Furthermore, the addition of some waste materials to composites has remarkable properties that are attracting interest from a wide range of technical domains. Fibre reinforced with glass, carbon, and jute were used to generate hybrid composites. As a filler, different amounts of eggshell powder were mixed …
Published in Journal of Polymer & Composites · Vol. 13, Issue 2, 2025 · pp. 244–251 Read article
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E-glass Fiber Epoxy Composites: Role of Al2O3/SiC Fillers in Physical, Flammability and Mechanical Characteristics
Abstract: This study investigates the effects of varying weight percentages of Silicon Carbide and Alumina particles in epoxy-based composites, fabricated through compression molding, on their physical and mechanical properties. Comparing different studies on carbon fiber-reinforced polymer (CFRP) composites, as well as glass fiber-reinforced polymer (GFRP) composites, especially with the reinforcement of nanoparticles such as silicon carbide (SiC), alumina (Al2O3) and graphene. The investigations cover fabrication methods, like vacuum infusion and compression …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 238–250 Read article
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Repurposing Approved Immunomodulatory Drugs for Target Proteins in the Pancreas of European eel: A Molecular Docking Approach
Abstract: Leishmaniasis is a disease caused by tiny parasites called Leishmania, which spread to humans through the bite of an infected female sand fly. The disease manifests in three different forms, and the protein calcitonin promotes the disease’s spread. By reducing blood calcium levels, inhibiting osteoclast activity, increasing calcium excretion, and possibly playing a role in neurotransmitter modulation, calcitonin, a hormone released by vertebrates, promotes the progression of pathogenesis and lessens …
Published in International Journal of Molecular Biotechnological Research · Vol. 3, Issue 1, 2025 · pp. 12–19 Read article
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Improving the Mechanical and Interfacial Properties of Bhendi Fiber via Chemical Surface Treatments
Abstract: Because of its primary benefits—moderate strength and stiffness, low cost, and being a renewable, degradable, and ecologically friendly material—natural fibers are believed to have potential use as reinforcing agents in polymer composite materials. Due to their inherent hydrophilicity, they have a tendency to retain moisture, which can impair or soften the fibers' adhesion to the surrounding matrix. This can have an impact on the performance of composite materials used in …
Published in International Journal of Advance in Molecular Engineering · Vol. 3, Issue 1, 2025 · pp. 22–32 Read article
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Comprehensive Insights into Toxicology: Mechanisms, Applications, and Modern Developments
Abstract: Toxicology, the study of the harmful effects of substances on living organisms, has become increasingly vital in today's world due to industrial growth, agricultural advancements, and heightened exposure to environmental and chemical toxins. This article examines the foundations of toxicology, exploring its definitions, core principles, and mechanisms of action. It also delves into specialized branches such as forensic, environmental, and medical toxicology, highlighting the differences between toxicants, toxins, and poisons, …
Published in Research and Reviews: A Journal of Toxicology · Vol. 15, Issue 1, 2025 · pp. 31–37 Read article
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Millimeter Wave in Internet of Things Connectivity: A Study
Abstract: The internet of things (IoT) is rapidly evolving, connecting billions of devices and transforming industries. However, this growth is stretching the limitations of traditional wireless communication technologies. Enter millimeter wave (mmWave), a high-frequency band promising to revolutionize IoT connectivity by offering significantly higher bandwidth and lower latency. While still in its early stages of implementation, mmWave is poised to become a cornerstone of the next generation of IoT ecosystems. Millimeter …
Published in International Journal of Wireless Security and Networks · Vol. 3, Issue 1, 2025 · pp. 13–23 Read article
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Computational Investigation of Phytochemicals Targeting AKT1 for Major Depressive Disorder: A Molecular Docking and ADMET Study
Abstract: Major depressive disorder (MDD) is a prevalent neuropsychiatric condition affecting approximately 280 million individuals worldwide, with women exhibiting a 50% higher likelihood of diagnosis than men. Despite significant advancements in treatment, MDD remains a chronic and relapsing disorder, necessitating the exploration of novel therapeutic interventions. This study focuses on the AKT1 gene, a key player in neuropsychiatric disorders, and investigates its interactions with natural phytochemicals as potential alternatives to conventional …
Published in Research and Reviews : Journal of Computational Biology · Vol. 14, Issue 2, 2025 Read article
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Synthesis, Molecular Docking and Biological Evaluation of Novel Chlorobenzenesulfonamide Analogues of Ibuprofen as Anti-Bacterial, Anti-Diabetic and Anti-Alzheimer Agents
Abstract: In this work, we have synthesized novel chlorobenzensulfonamide tertiary amide based analogues of Ibuprofen (Ibu) and investigated them for their anti-bacterial, anti-diabetic and anti-Alzheimer activities. In the first step, Ibu was converted to amide derivatives by incorporating different aromatic amines. These were further converted into sulfonamide analogues (Sul-Ibu, 1-9) by treating it with p-chlorobenzensulfonyl chloride. Sul-Ibu (1-9) were screened against S. aureus, B. subtilis, S. mutans, E. coli, P. aeruginosa, …
Published in International Journal of Cheminformatics · Vol. 3, Issue 1, 2025 · pp. 41–55 Read article
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Rapid Post-uterine Involution in Dairy Cows: Mechanisms, Dietary Strategies, and Impact on Postpartum Recovery
Abstract: The postpartum period in dairy cows is critical for reproductive success, with uterine involution playing a central role in returning the reproductive tract to its pre-pregnancy state. Rapid uterine involution is essential for improving reproductive performance and minimizing the risk of postpartum complications. This review explores the nutritional mechanisms that influence uterine involution, focusing on key dietary strategies to promote tissue repair and recovery. We examine the role of energy, …
Published in Emerging Trends in Metabolites · Vol. 2, Issue 2, 2025 Read article
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Finite Element Formulation for Mechanical Buckling of FGM Plate Exposed to Various Boundary Conditions
Abstract: Mechanical buckling analysis of functionally graded (FG) material plates based on first-order shear deformation theory. In the real world many components manufactured by FG materials face the buckling load under certain conditions. Various types of gradation law for tailoring the material properties are applied by the researcher, out of that, presently a simple power law for material gradation is applied with shear correction factor (SCF) is used to take account …
Published in Journal of Polymer & Composites · Vol. 13, Issue 4, 2025 · pp. 503–513 Read article
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Mechanical Characterization of Hybrid Basalt Fiber Composites with Silicon Carbide Fillers
Abstract: Natural fiber composites (NFCs) have experienced significant growth and innovation in recent research because to their advantages over synthetic fiber composites, including their lower cost and environmental impact. This paper investigates the tension and compression properties of hybrid laminate composites composed of stainless-steel wire mesh, epoxy resin reinforced with basalt fibre, and silicon carbide (SiC) filler. Composites with varying weight percentages of SiC filler (0%, 1.5%, and 3%), were made …
Published in Journal of Polymer & Composites · Vol. 13, Issue 4, 2025 · pp. 582–593 Read article
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Vaccines in the Fight Against COVID-19: Mechanisms, Efficacy, and Global Challenges
Abstract: The SARS-CoV-2 pandemic has created an unparalleled public health problem, necessitating comprehensive prevention. This page discusses COVID-19's evolution, scientific understanding, and quick vaccine production and implementation. It compares the mechanisms, efficacy, and safety profiles of the four major types of COVID-19 vaccines—namely mRNA, viral vector, protein subunit, and inactivated virus vaccines. Each type is evaluated in terms of how it stimulates the immune response, its effectiveness in preventing infection or …
Published in Recent Trends in Infectious Diseases · Vol. 2, Issue 2, 2025 · pp. 34–48 Read article
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Synthesis, Molecular Docking and Biological Evaluation of Novel Chlorobenzenesulfonamide Analogues of Ibuprofen as Anti-Bacterial, Anti-Diabetic and Anti-Alzheimer Agents
Abstract: In this work, we have synthesized novel chlorobenzensulfonamide tertiary amide based analogues of Ibuprofen (Ibu) and investigated them for their anti-bacterial, anti-diabetic and anti-Alzheimer activities. In the first step, Ibu was converted to amide derivatives by incorporating different aromatic amines. These were further converted into sulfonamide analogues (Sul-Ibu, 1-9) by treating it with p-chlorobenzensulfonyl chloride. Sul-Ibu (1-9) were screened against S. aureus, B. subtilis, S. mutans, E. coli, P. aeruginosa, …
Published in International Journal of AgroChemistry · Vol. 3, Issue 1, 2025 · pp. 35–49 Read article
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Improvement in Mechanical Properties Using High Velocity Oxyfuel Coating (HVOF): A Review
Abstract: Surface modification plays a vital role in improving the service life of different machine parts used in number of industries. Due to daily routine operations at difficult environment conditions, most of machine components have failure in their operations. In these types of cases, only materials with superior wear resistance can be used or material surface can be modified by coating. High velocity oxyfuel coatings (HVOF) play a significant role in …
Published in Trends in Machine design · Vol. 12, Issue 2, 2025 · pp. 1–8 Read article