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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 Investigation on Heat Transfer Characteristics of Thermal Barrier Coating on Aero Engine Components
Abstract: The gas turbine blades play a crucial role in harnessing energy from the high-temperature and highpressure gas generated by the combustor. To withstand this challenging environment, turbine blades often employ super-alloys and incorporate new manufacturing technologies such as Direct Solidification (DS) and Single Crystal (SC). Additionally, the development of advanced ceramic Thermal Barrier Coating (TBC) is imperative to achieve higher operating temperatures (>1200°C). Therefore, the primary focus of this study …
Published in Journal of Polymer & Composites · Vol. 11, Issue 13, 2023 · pp. 50–58 Read article
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Deciphering Th-Related Gene Interactions in Chronic Spontaneous Urticaria: Bioinformatics Insights and Drug Affinity Exploration
Abstract: Objective: There has been a great deal of interest in how inflammatory dermatosis and The cell interact, but the etiopathogenesis of chronic spontaneous urticaria (CSU) is still inadequately comprehended. Through bioinformatics techniques, the purpose of this work is to elucdate the molecular mechanism underlying Th-related genes in CSU and seeks to find the highest affinity drug. Methods: The CSU RNA expression profiling dataset provided the basis for the investigation. The …
Published in International Journal of Genetic Modifications and Recombinations · Vol. 2, Issue 1, 2024 · pp. 1–15 Read article
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Biomaterials and its Role in Dentistry–A Review
Abstract: Increasing success through modern techniques in implantology brought a new transformation in dentistry field to successfully replace missing teeth. To inflate the success rate, regular and continuous attempts are done to improve the materials, techniques for comprehensive understanding of implant behavior to the biological system. Biomaterials used for implants and brought in contact with the biological environment play the most symbolic role in the success of treatment modality. This has …
Published in Journal of Polymer & Composites · Vol. 11, Issue 8, 2023 · pp. 339–352 Read article
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Foundry 4.0: Revolutionizing Casting Production with Computerized Systems
Abstract: For a considerable amount of time, foundries used computers for handling inventory, waging, wages, accounting, personnel records, and quality control. Nearly all of the foundry's systems and machinery are computerized. Through the installation of computers in foundries, employees' workloads and levels of stress have reduced significantly, and the workplace feeling has greatly improved. This review paper explores the potential implications and functions of computers in foundries. A thorough explanation of …
Published in International Journal of Machine Systems and Manufacturing Technology · Vol. 1, Issue 2, 2023 · pp. 1–11 Read article
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Predictive Modeling and Optimization of Tensile and Flexural Strength in FDM 3D Printing Using Decision Trees and Bayesian Optimization.
Abstract: This research investigates predictive modelling and optimization technique for the tensile and flexural strength of PlA (Poly Lactic Acid) in Fused Deposition Modelling (FDM) 3D printing. Employing Decision Trees and Bayesian Optimization enhances comprehension and control of 3D printing process. Precise model predicts PLA material properties based on input parameters. Methodology involves rigorous data preprocessing, encompassing, cleaning, transformation, and normalization. Hyperparameter optimization via grid search systematically explores configurations, optimizing model …
Published in Journal of Polymer & Composites · Vol. 11, Issue 12, 2023 · pp. 203–214 Read article
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Implementation of Light Weight Carbon Composite Driveshaft for a Light Commercial Vehicle
Abstract: The automotive drive shaft is a crucial component for power and torque transmission in vehicles, with a tubular shape that spins due to engine power. The current drive shaft is made of heavy-duty mild steel, increasing the vehicle's weight and fuel consumption. To reduce the weight, a composite material called carbon fiber was used. Carbon fiber showed better performance in driveshaft operation, and its properties were evaluated using universal testing …
Published in Journal of Polymer & Composites · Vol. 12, Issue 1, 2024 · pp. 52–65 Read article
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Cementing Sustainability: Utilizing Waste Foundry Sand to Enhance Concrete Performance and Reduce Environmental Impact
Abstract: The incorporation of waste foundry sand into concrete production represents an environmentally conscious and cost-effective approach. This method involves substituting discarded foundry sand for a portion of traditional fine aggregates in concrete mixtures. The primary objective is to address environmental concerns associated with waste disposal while simultaneously achieving cost efficiency in construction materials. By integrating waste foundry sand into concrete, this practice promotes sustainability by reducing landfill waste and conserving …
Published in Journal of Construction Engineering, Technology & Management · Vol. 14, Issue 1, 2024 · pp. 13–21 Read article
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Heat Treatment Research Studies of EN9 Carbon Steel by Quenching Operation in Different Quenching Media
Abstract: In this experimental research, EN9 type of steels is selected to process the heat treatment by quenching to increase the hardenability of a material. EN9 steel is cut into small work samples with diameter 25mm and length 15mm to analyze. Then they are polished the cut surface in a fine manner. Microstructure and hardness are to be found for EN9 work pieces before heat treatment at different locations like at …
Published in International Journal of Mechanical Dynamics and Systems Analysis · Vol. 1, Issue 2, 2023 · pp. 1–25 Read article
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Comprehensive Review of Moebius Syndrome: Clinical Landscape, Etiology, and Therapeutic Challenges
Abstract: Moebius syndrome, a rare congenital neuromuscular disorder, presents with non-progressive facial weakness, limited eye abduction, and diverse manifestations affecting cranial nerves. This comprehensive review explores its clinical landscape, emphasizing the need for extensive investigations into its elusive etiology and genetic underpinnings. The estimated prevalence is 1 in 250,000 live births, with sporadic cases prevailing. Initial symptoms, evident from birth, encompass difficulties in sucking, and feeding, and absent facial expressiveness. Beyond …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 2, Issue 1, 2024 · pp. 27–38 Read article
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In Silico Investigation of 2,3-Dihydrobenzofuran from Centella asiatica: A Possible Pioneer in the Management of Tetanus
Abstract: Objective: Tetanus toxin (TeNT) is a neuroprotein toxin, the most toxic known. They have three functional domains and are structurally similar. They possess an N-terminal catalytic section (light chain), an internal domain for heavy-chain translocation (HN domain), and a C-terminal receptor binding domain for the heavy chain (Hc domain or RBD). Tetanus, an acute nerve-affecting disease, is provoked by a toxin-producing bacterium called Clostridium tetani. This bacterium is environmental, Gram-positive, …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 1, 2024 · pp. 19–30 Read article
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Computer Aided Drug Designing for Targeted Drug Delivery Systems
Abstract: The discovery and development of a contemporary sedate is widely acknowledged as an extremely difficult task that requires significant resources and effort. Therefore, computer-aided medication design techniques are widely utilized today to increase the productivity of the drug discovery and development process. Among structure-based and ligand-based drug design approaches, both recognized for their efficiency in drug discovery and development, various CADD (Computer-Aided Drug Design) techniques are evaluated based on specific …
Published in Trends in Drug Delivery · Vol. 11, Issue 2, 2024 · pp. 34–41 Read article
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Navigating Risk-Based Approaches in Quality Assurance: Strategies, Implementation, and Impact
Abstract: This review investigates the implementation of a risk-based approach within Quality Management Systems (QMS) as stipulated by ISO 9001:2015 regulations. It scrutinizes the challenges organizations encounter when transitioning to ISO 9001-2015 requirements, particularly focusing on the alignment of conceptual frameworks and processes among stakeholders. A key objective of this review is to propose a refined definition of "quality risk" and "risk-based thinking in QMS" to address the idiosyncratic characteristics of …
Published in Research & Reviews: A Journal of Drug Formulation, Development and Production · Vol. 11, Issue 2, 2024 Read article
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Characterization of Synthesized Heterocyclic Oxadiazole Derivatives Using Mass, UV, IR, and NMR Spectroscopy, Among other Spectroscopic Techniques: Review
Abstract: The current study synthesized and assessed 3-heteroarylazo 4-hydroxy coumarin derivatives' initial antibacterial activities in vitro against four distinct pathogenic bacterial strains, including Pseudomonas aeruginosa, Bacillus subtilis, Escherichia coli, and Staphylococcus aureus. Ampicillin, a common medication, was used to compare each compound's antibacterial properties. UV, IR, 1H NMR, mass spectroscopy, and X-ray diffraction examinations were used to analyze the compounds. By using UV–vis spectra, the solute-chromic behavior of these compounds was …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 1, Issue 1, 2023 · pp. 28–33 Read article
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AI Hindi Poem Generator
Abstract: The Hindi Poetry Generator project represents a pioneering initiative in the domain of computational creativity, blending machine learning algorithms and natural language processing methodologies to craft poetic expressions in the Hindi language. Rooted in the vast landscape of Hindi literature, this project harnesses the power of deep learning models to generate evocative and culturally significant poetry. At its core, the system relies on neural networks and sophisticated language modeling techniques …
Published in Recent Trends in Programming languages · Vol. 11, Issue 2, 2024 · pp. 10–16 Read article
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Experimental analysis of wind turbine blade (HAWT) with recycled carpet waste polymer composite material
Abstract: The term "carpet" is often used interchangeably with "rug," but there is a technical distinction. Rugs are generally smaller and can be easily moved, while carpets are typically larger and cover a significant portion of the floor. Carpets are commonly used to enhance the comfort of indoor spaces, provide insulation, and contribute to the overall design and atmosphere of a room. Polymer composite materials also known as polymer matrix composites …
Published in Journal of Polymer & Composites · Vol. 12, Issue 3, 2024 · pp. 259–265 Read article
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Role of Topical Onion Extract in Scar Management at Donor Site
Abstract: Scarring is commonly caused by an imbalance between collagen synthesis and degradation. One promising approach to mitigate scar formation involves the use of onion extract, known for its ability to inhibit fibroblast activity, which plays a key role in the development of scars. Despite the widespread use of onion extract in various commercial scar treatment products, the exact molecular mechanisms through which it exerts its scar-reducing effects remain unclear.This study …
Published in Research and Reviews : Journal of Surgery · Vol. 13, Issue 2, 2024 · pp. 7–11 Read article
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Testing of Efficiency of Wind Turbine Blade NACA2415 Aerofoil Type Using Recycled Carpet Waste Polymer Composite Material
Abstract: In 2020, over 50% of residential properties in the United States were outfitted with carpet flooring, boasting an average longevity ranging from 10 to 18 years. Carpets are crafted from various fibers, including woven nylon, polyester, polypropylene, or wool fibers. Historically, nearly 6 billion pounds of discarded carpets were directed to landfill sites, perpetually undergoing decomposition processes. My current project entails the fabrication of a wind turbine blade utilizing a …
Published in Journal of Polymer & Composites · Vol. 12, Issue 5, 2024 · pp. 314–324 Read article
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Impact of Various Front-line Hypertensive medication on Blood Pressure Control During Maximum Exercise Testing in Coronary Artery Disease Patients
Abstract: It has long been known that blood pressure (BP) and cardiovascular morbidity are related. It is acknowledged that blood pressure during activity may serve as a more reliable indicator than resting blood pressure, which might not accurately reflect blood pressure at other times. Goals: 1) To assess how blood pressure behaves during physical activity in individuals with coronary artery disease (CAD) whose hypertension is managed with first-line antihypertensive medications. 2) …
Published in Research and Reviews: A Journal of Pharmacology · Vol. 14, Issue 2, 2024 · pp. 37–41 Read article
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Design And Implementation of A Smart Dustbin System Integrated With Solar Panel For Sustainable Waste Management
Abstract: India is a rapidly developing country in the world. As a growing economy it is important to manage its waste. In India on an average 64 million tons of detritus is produced which ranks 5th in the global scenario. Nowadays in many localities garbage is thrown around arbitrarily and roads are full of litter. These unplanned things cause many problems and sometimes it may cause hazardous diseases. With the potential …
Published in Journal of Alternate Energy Sources & Technologies · Vol. 15, Issue 2, 2024 · pp. 1–5 Read article
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Study of Rehydration and Dehydration behavior of Scolecite by insitu Raman spectroscopy
Abstract: The study of structural changes of stretching and bending modes around 3000-4000cm-1 and 700-1800cm-1 in the temperature range of 299 to 503 K during the dehydration of naturally occurring scolecite was investigated using in-situ Raman spectroscopy. A Raman spectrum from 3000-4000cm-1 was measured for a fibrous zeolite called scolecite to regulate the behavior of water molecules in the passages. The extending vibrations of H2O molecules of scolecite are located between …
Published in Journal of Polymer & Composites · Vol. 12, Issue 6, 2024 · pp. 152–159 Read article