Search
1969 articles for “quantum mechanics/molecular mechanics (QM/MM)” (ranking capped at the first 2,000 matches — narrow the search to see the rest)
Nothing matched all of your words, so these match any of them.
-
Investigation of Mechanical Properties of Jute and Bamboo Natural Fiber Composites
Abstract: Natural fibers have become increasingly popular in recent decades. Natural fiber composites are also becoming increasingly popular in a various industries, including automobiles, furniture, packaging, construction and sports. Natural fibers have several advantages over synthetic fibers, including low cost, low density, reduced damage to processing equipment, good relative mechanical properties, renewability, and biodegradability. Natural fibers were also introduced with the goal of producing lighter composites, and they have shown a …
Published in Journal of Production Research & Management Read article
-
Quantifying Damage Evolution in Fiber-reinforced Composites Using Fracture Mechanics
Abstract: By evaluating the evolution of damage, such as cracks or delamination, within the material over time or under various loading situations, damage evolution in fiber-reinforced composites can be characterized using fracture mechanics. Fracture mechanics offers a framework for understanding and projecting the behavior of materials that already have damage or flaws. Since they have a high strength-to-weight ratio and unique mechanical qualities, fiber-reinforced composites are essential in many branches of …
Published in International Journal of Fracture Mechanics and Damage Science · Vol. 1, Issue 1, 2023 · pp. 26–32 Read article
-
Mechanical Characteristics of Naturally Woven Coconut Sheath/Short Sisal Fiber Reinforced Polymer Hybrid Composites
Abstract: This study presents the outcomes of an experimental investigation focusing on the tensile, flexural, impact and water absorption properties of unsaturated polyester resin reinforced with naturally woven coconut sheath and short sisal fibers. Sisal fiber, characterized by its abundance, affordability, degradability, and robust strength, serves as a compelling reinforcement. The naturally woven coconut sheath fibers, discreetly found in the hidden sections of coconut branches, offer an inexpensive, biodegradable option with …
Published in Journal of Polymer & Composites · Vol. 12, Issue 1, 2024 · pp. 34–44 Read article
-
Exploring Glucagon-like peptide-1 as a Target Protein for Diabetes Mellitus Treatment: Molecular Docking and Pharmacokinetic Analysis of Phytocompounds from Momordica charantia
Abstract: Objective: This study aimed to use molecular docking techniques to explore the potential of GLP-1 (glucagon-like peptide-1) as a target protein for the treatment of diabetes mellitus, a chronic metabolic disease marked by elevated blood glucose levels. Given its crucial role in maintaining insulin secretion and glucose homeostasis, GLP-1 may serve as a future target for diabetes therapy. Method: The study employed a multi-phase method. Initially, protein extraction was carried …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 2, Issue 1, 2024 · pp. 8–20 Read article
-
The Induction, Formation, and Establishment of Giant Cell in Plant-Parasitic (Meloidogyne Spp.)-Host Interactions: A Molecular and Cellular Basis
Abstract: Root-knot nematodes, (RKN) are obligatory endoparasites of over 3000 plant species, causing $70 billion in annual economic losses globally. The second stage juveniles hatch from the eggs invade the root apex and inject pathogen effectors that induce specialized feeding cell called Giants cell that are large multinucleated cell formed, due to repeated cycles of mitosis without cytokinesis and served sole source of feeding site for rootknot nematode. The ability RNN …
Published in Research & Reviews: A Journal of Pharmacognosy · Vol. 11, Issue 2, 2024 · pp. 34–45 Read article
-
Smart Material for Energy Harvesting and Energy Storage in Mechanical Systems
Abstract: The integration of smart materials into mechanical systems for energy harvesting and storage marks a transformative leap in sustainable energy technology. These materials, responsive to environmental cues, offer innovative solutions for capturing energy from mechanical sources. Leveraging properties like piezoelectricity and thermoelectricity, smart materials efficiently convert mechanical energy into electrical energy, enabling devices to generate power from human motion or industrial machinery. Moreover, they enhance energy storage capacity and efficiency …
Published in International Journal of Energy and Thermal Applications · Vol. 2, Issue 1, 2024 · pp. 41–48 Read article
-
Differential Scanning Calorimetry, Thermogravimetric Analysis, and Dynamic Mechanical Analysis for Advanced Medical Materials
Abstract: Modern healthcare depends on advanced medical products that come up with new ways to care for and help patients. Characterizing these products is important to make sure they are safe, effective, and work well. While there are many analysis methods, Differential Scanning Calorimetry (DSC), Thermogravimetric Analysis (TGA), and Dynamic Mechanical Analysis (DMA) are the most important ones for checking the temperature and mechanical qualities of medical materials. By measuring the …
Published in Journal of Polymer & Composites · Vol. 12, Issue 4, 2024 · pp. 57–72 Read article
-
Multitarget Molecular Docking Using Curcuma longa Phytocompounds for Polycystic Ovary Syndrome Treatment
Abstract: Objective: The primary goal of this research is to understand and describe specific aspects of molecular interaction, it includes studying various aspects such as binding affinity, binding mode, and stability of the ligand-protein complex. Molecular docking is a computational technique used to predict the preferred orientation of one molecule to a second when bound together to form a stable complex. In this study, molecular docking will be employed to stimulate …
Published in International Journal of Molecular Biotechnological Research · Vol. 2, Issue 1, 2024 · pp. 15–28 Read article
-
Impact of Chemical Conditioning on the Mechanical Performance of Pine Fibre-Reinforced Composites
Abstract: The study examines the effects of treatments like alkaline, silane, and acetylation on enhancing the mechanical strength and reducing water absorption in pine fiber-reinforced composites. Natural fibres, while eco-friendly and sustainable, present challenges in fibre-matrix adhesion due to their hydrophilic nature, impacting composite performance. Chemical treatments were employed to modify fibre surface characteristics, enhance interfacial bonding, and thereby improve mechanical properties. Silane-treated composites exhibited the highest tensile and flexural strengths, …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 140–150 Read article
-
Red emissive MSA capped CdTe quantum dots for cell imaging
Abstract: The changes in the optical and electronic properties of the materials due to the quantum confinement effect in semiconductor nanoparticles have attracted huge interest in the scientific community. Within the semiconductor nanoparticles, the quantum dots (QDs) deserve a special position due to their high quantum confinement effect and unique optoelectronic properties. Among the semiconductor quantum dots, CdTe attracts more attention due to its easy manufacturing, large Bohr exciton radius, and …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 716–721 Read article
-
A Review on Mechanical Behavior of Lithium Ion Batteries for Electric Vehicles
Abstract: The current automobile industries are much dependent on conventional petroleum fuels like petrol, diesel etc. which are creating many environmental issues due to combustion reactions and generation of carbon dioxide. This continues use of conventional fuels leads to either increasing the price of it and vanishing of its resources in future. Considering this pure battery based electric vehicle or electric vehicle with hybridize combination of battery and any other energy …
Published in International Journal of Electro-Mechanics and Material Behaviour · Vol. 2, Issue 2, 2024 · pp. 1–20 Read article
-
In Silico Exploration of Podophyllum Hexandrum-Derived Phytocompounds as Potential Therapeutics Against Small Cell Lung Cancer (SCLC): A Molecular Docking Approach
Abstract: Small Cell Lung Cancer (SCLC) is a fast-growing and aggressive type of lung cancer that spreads quickly strongly associated with smoking. It is characterized by symptoms, such as persistent cough, breathing difficulties, or hoarseness, though it can sometimes be asymptomatic which makes early detection challenging. The tumor suppressor gene TP53 is critical in regulating the cell cycle and preventing uncontrolled cell division. Mutations in TP53 result in the loss of …
Published in International Journal of Molecular Biotechnological Research · Vol. 3, Issue 1, 2025 · pp. 1–11 Read article
-
Statistical Modeling of Heat Transfer and Fluid Dynamics: Application in Mechanical Engineering Design
Abstract: Understanding and optimizing the intricate processes involved in heat transfer and fluid dynamics—two concepts essential to mechanical engineering design—require statistical modeling. Engineers can forecast, regulate, and enhance the performance of systems including heat exchangers, turbines, cooling mechanisms, and different fluid machinery by using statistical approaches. In order to address uncertainties, variability in material properties, boundary conditions, and operational parameters, this work investigates the integration of statistical modeling tools in the …
Published in Research & Reviews : Journal of Statistics · Vol. 13, Issue 2, 2024 · pp. 18–22 Read article
-
Mechanical Testing Under Tensile-load
Abstract: Mechanical testing is a technique used to establish a material's mechanical qualities by examining its strength, toughness, hardness, and other characteristics. Specimens produced of various materials whose qualities need to be examined are used to verify this property. In which a static load is applied and a dynamic load is applied, and the test is completed. Understating loads in mechanical testing is the topic of this research article. Any manufacturing …
Published in International Journal of Fracture Mechanics and Damage Science · Vol. 3, Issue 1, 2025 · pp. 1–10 Read article
-
Advancements in Plant Molecular Biology and Genetics: Insights into Genetic Engineering, Genomics, and Crop Improvement
Abstract: This comprehensive review explores the rapidly advancing fields of plant molecular biology and genetics, offering a thorough examination of contemporary research and innovative methodologies that contribute to a deeper understanding of plant development, improved crop productivity, and the mitigation of environmental challenges. Recent breakthroughs in genetic engineering, genomics, and transcriptomics are thoroughly analyzed to provide valuable insights into their practical applications for sustainable agriculture. The integration of cutting-edge tools and …
Published in International Journal of Trends in Horticulture · Vol. 2, Issue 1, 2025 · pp. 25–27 Read article
-
State of the Art: A Pandemic Big HealthCare Analytics Solution: Image Data Classification Using Quantum MAML
Abstract: The modern age is facing many pandemic healthcare problems, e.g., covid 19, infections, inflammations, and many more, leading to critical, deadly situations. Survival rate can be increased with proper diagnosis of such data. We have proposed one of the implementations based on a medical image dataset for classification using deep reinforcement learning (RL) with quantum computing. Deep RL is the combination of DL (deep learning), generative adversarial network (GAN), and …
Published in Research and Reviews : A Journal of Medical Science and Technology · Vol. 14, Issue 2, 2024 · pp. 1–9 Read article
-
Advanced Polymer Composites for Dental Applications: A Study on Twin Wire Tucker Mechanism
Abstract: This study explores the development of advanced polymer composites for dental applications, particularly focusing on the twin wire tucker mechanism. The study investigates the polymer chemistry underlying the mechanical properties of polymer-based dental instruments, emphasizing the stability, flexibility, and ergonomic benefits of polymer composites in orthodontic applications. The incorporation of reinforced polymers into dental instruments aims to enhance performance, durability, and patient comfort. By integrating high-strength polymers with superior biocompatibility, …
Published in Journal of Polymer & Composites · Vol. 13, Issue 5, 2025 · pp. 1–6 Read article
-
Experimental Investigation Mechanical Behaviour of Composite Made by Carbon Fibre Mixed with Zro2 and Phenolic Resin
Abstract: Composites are one of the major research criteria in aerospace technologies to fulfil the present needs. Addition of materials to carbon fibers without increasing of weight of the parts Nano and micro fillers have its own criteria in improving mechanical properties. ZrO2 particles added to carbon fibers can improve the strength with a light add up in density. Present study focused on the mechanical behavior of zirconium oxide addition to …
Published in Journal of Polymer & Composites · Vol. 13, Issue 3, 2025 · pp. 562–573 Read article
-
Exploring the Role of MAPK3 in Major Depressive Disorder: Molecular Docking, Dynamics, and Binding Free Energy Analysis of Natural Compounds as Alternatives to Conventional Drugs
Abstract: Major Depressive Disorder (MDD) is a prevalent neuropsychiatric disorder with limited treatment efficacy and significant side effects associated with conventional antidepressants. Recent studies have highlighted the role of mitogen-activated protein kinase 3 (MAPK3) in the mechanisms underlying MDD, positioning it as a potential target for the development of novel therapeutic drugs. In this study, we employed various computational approaches to explore natural compounds as viable alternatives to synthetic antidepressants. Researchers …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 2, 2025 · pp. 53–68 Read article
-
Cybersecurity of AI and IoT Integrated for Mechanical Industries
Abstract: By facilitating the concept of Industry 4.0, the intersection of artificial intelligence (AI) and the Internet of Things (IoT) has changed the mechanical industries. When combined, these technologies are advancing process optimization, predictive maintenance, real-time condition monitoring, and smarter automation. In order to give proactive system control and intelligent decision-making, AI algorithms mine large datasets generated via IoT devices for relevant patterns. In the meanwhile, IoT guarantees smooth communication between …
Published in Journal of Mechatronics and Automation · Vol. 12, Issue 2, 2025 · pp. 27–33 Read article