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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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Green synthesis of Ag-Fe2O3-CuO-PANI nanocomposite and its application as an Apple Vinegar sensor
Abstract: Green synthesis of nanoparticles is inexpensive and environmentally safe, herein we report green approach for the synthesis of Ag, Fe2O3, CuO nanoparticles by using Asparagus Racemosus plant to detect carboxylate vapours. Synthesized Ag, Fe2O3, CuO nanoparticles were taken in 1:1:1 ratio and PANI (polyaniline) was added in ratio 5:1 to form Ag-Fe2O3-CuO–PANI nanocomposite. Synthesized Ag-Fe2O3-CuO-PANI were characterized by XRD, FESEM and FTIR whose size was in the range of 16–60 …
Published in Journal of Polymer & Composites · Vol. 12, Issue 4, 2024 · pp. 41–53 Read article
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Effect of Compressive Strength of Core and Precast Concrete on the Behavior of Column Retrofitted by Precast Segment and FRP Wrapping - A Finite Element Study
Abstract: In the present investigation the effect of compressive strength of core and precast concrete on the behavior of columns retrofitted by attaching precast segments and followed by FRP wrapping through Finite Element Analysis. A rectangular column converted into an elliptical column by attaching precast segment is modeled using ANSYS workbench, A Finite Element Analysis software. A Finite Element Model is developed, considering various structural parameters such as grades of core …
Published in Journal of Polymer & Composites · Vol. 12, Issue 2, 2024 · pp. 302–310 Read article
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Investigation on Structural Behavior of RC Beam-Column Joints: State-of-the-art
Abstract: Beam-column joints (BCJs) are critical structural elements in buildings, influencing overall structural performance and safety. This review paper presents a comprehensive analysis of findings of research showing concern about various aspects of BCJs, focusing on eccentricity effect, numerical investigation, joint behavior, shear strength, retrofitting strategies, and recent advances. Through experimental studies, numerical simulations, and analytical approaches, various studies have made significant progress in understanding BCJ response to various loading circumstances …
Published in Journal of Polymer & Composites · Vol. 12, Issue 2, 2024 · pp. 40–68 Read article
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Enzyme Stability Prediction using BERT and CNN-A Deep Learning Approach for Enhanced Biocatalysis
Abstract: An important factor in determining the efficacy of industrial enzymes used in various biotechnological applications is their stability. The goal of this study is to develop a predictive model for industrial enzyme stability, which is essential to the efficiency of these enzymes in biotechnological applications. The research takes a comprehensive strategy to comprehend the parameters affecting enzyme stability by combining statistical analysis, deep learning algorithms (BERT and CNN), and molecular …
Published in Research and Reviews : A Journal of Life Sciences · Vol. 14, Issue 2, 2024 · pp. 19–35 Read article
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Feedback Based Three Finger Robotic Gripper
Abstract: This research presents the development and validation of a novel three-finger robotic gripper system enhanced with force feedback capabilities. Leveraging Force-Sensing Resistor (FSR) sensors and servo actuators, the gripper is engineered to dynamically adjust its grasp based on real-time force feedback. Through a series of iterative design iterations and experimental validation, the gripper demonstrates robustness and adaptability in various gripping scenarios. The integration of force feedback allows the gripper to …
Published in Journal of Mechatronics and Automation · Vol. 11, Issue 1, 2024 · pp. 11–17 Read article
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Garbage Classifier Using Arduino
Abstract: In today's era, where prioritizing sustainable methods of waste disposal is crucial, a pioneering initiative titled "Garbage Collection using Arduino Nano " stands out as a revolutionary approach to refining the traditional, labor-intensive methods of household waste collection. Utilizing the Arduino Nano microcontroller, this project introduces a sophisticated waste management system equipped with diverse sensors and mechanisms. Through the automation of waste collection, this avant-garde system not only enhances efficiency …
Published in Journal of Mechatronics and Automation · Vol. 11, Issue 1, 2024 · pp. 18–23 Read article
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Fire Detection And Prevention in Electric Vehicles (Ev)
Abstract: This abstract presents a novel approach to fire prevention and detection in electric vehicles (EVs), highlighting the challenges posed by their high-voltage battery systems. The proposed system integrates advanced fire detection technology, such as infrared sensors and thermal imaging, with automatic gas release mechanisms triggered upon fire detection to manage the temperature of the electric engine and suppress fires effectively. The chosen gas serves a dual purpose of reducing oxygen …
Published in Journal of Automobile Engineering and Applications · Vol. 11, Issue 1, 2024 · pp. 26–31 Read article
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Effectiveness of Temporins for the Treatment of HPV Infections
Abstract: Objectives: Human papillomavirus (HPV), especially high-risk variants like type-16 have been linked to the formation of malignant tumors. HPV-16 has been implicated in most cases of cervical cancer in women. This study aims to assess the effectiveness of three types of temporin molecules, i.e., antiviral peptides secreted by certain frog species, for the inhibition of the viral L1 protein. Methods: In the present study, various computational tools were used to …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 2, Issue 1, 2024 · pp. 41–53 Read article
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Gene prioritization of colorectal cancer using computational approach
Abstract: Colorectal cancer (CRC) continues to be a major worldwide health issue, underscoring the need to pinpoint crucial genetic elements influencing its initiation and advancement. In this investigation, we utilize sophisticated computational methods to prioritize potential genes linked to CRC development. Through the utilization of various bioinformatics tools and comprehensive methodologies, we systematically examine extensive microarray datasets to identify potential genetic contributors. Initially, a vast amount of CRC microarray data (approximately …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 2, Issue 1, 2024 · pp. 39–52 Read article
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A review on Advanced Materials for Sustainable Innovation and Innovative Applications in Chemical Engineering
Abstract: High level materials assume a vital part in driving feasible mechanical headways across different enterprises. This comprehensive review paper aims to provide an in-depth analysis of the properties, synthesis methods, and potential applications of advanced materials, focusing particularly on nanomaterials, biomaterials, and smart materials. These materials exhibit unique characteristics that render them indispensable for a wide array of applications, spanning energy storage, environmental remediation, healthcare, and electronics. Nanomaterials, characterized by …
Published in Emerging Trends in Chemical Engineering · Vol. 11, Issue 1, 2024 · pp. 59–79 Read article
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Human Deep Skin Surface Vibration Frequency Detection from CT and DT Signals Using Genetic Algorithms
Abstract: To diagnose respiratory problems early on, a contactless, non-invasive, real-time assessment of human vibration is a crucial prerequisite. Optoelectronic plethysmography (OEP) and the forced oscillation technique (FOT), are two widely utilized methodologies, depending on variations in each patient’s local chest impedance. Calibration of the devices before each measurement is hence the primary problem of these approaches. This report presents a simulation-based analysis to assess the effectiveness of the CT and …
Published in International Journal of Algorithms Design and Analysis Review · Vol. 2, Issue 1, 2024 · pp. 9–16 Read article
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String Theory: Simplified Insights into Reality
Abstract: "String Theory: Simplified Insights into Reality" explores the fascinating realm of theoretical physics, delving into the profound principles of string theory and its implications for our understanding of the fundamental nature of the universe. The paper begins with an overview of the historical context, tracing the evolution of string theory from its inception as a theoretical framework to its current status as a leading candidate for a unified theory of …
Published in Research & Reviews : Journal of Space Science & Technology · Vol. 13, Issue 1, 2024 · pp. 1–11 Read article
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Topical Luliconazole for the Management of Fungal Infections: A Review
Abstract: Luliconazole, an antifungal agent of the imidazole class, possesses a distinctive structure where the imidazole component is fused with the ketene dithioacetate configuration. It exists in its R-enantiomer form, which exhibits greater antifungal efficacy compared to lanoconazole, a compound comprising a racemic blend. Strong action is shown by luliconazole against filamentous fungi, such as dermatophytes. The pharmacokinetic characteristics of dermatophytes, such as Trichophyton rubrum and Microsporum gypseum, help explain why …
Published in Trends in Drug Delivery · Vol. 11, Issue 2, 2024 · pp. 1–6 Read article
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Unlocking Potential: Capecitabine’s Evolution as an Anticancer Wonder Drug
Abstract: Capecitabine, a precursor to 5-fluorouracil (5-FU), is Anticancer Drug in treating solid tumors like colorectal, breast, and gastric cancers. Its mechanism involves converting to 5-FU mainly within tumor cells, reducing toxicity while maximizing effectiveness. Besides being effective alone, it is also valuable in combination therapies, showcasing its versatility in cancer treatment. This review explores the transformative journey of capecitabine as a pivotal anticancer drug. Beginning with an introduction to its …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 11, Issue 2, 2024 · pp. 17–24 Read article
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FPGA Enabled Flight Control Unit
Abstract: The FPGA flight controller revolutionizes drone technology with unmatched stability and precision. Integrated with an IMU and advanced sensors like the MPU 6050, it ensures accurate positioning critical for reliable UAV operation. Its efficient real-time data processing and seamless sensor communication enhance performance and reliability across various conditions. This advancement sets a new standard in UAV technology, suitable for applications ranging from surveillance to disaster relief. An aircraft's flight control …
Published in Journal of Aerospace Engineering & Technology · Vol. 14, Issue 1, 2024 · pp. 19–25 Read article
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Remote Controlled Boat for Hyacinth Removal
Abstract: This research focuses on the design and production of Hyacinth infestation poses a significant ecological and economic challenge in many aquatic ecosystems, causing disruptions in water quality, biodiversity, and water transportation. To address this issue, we have developed a remote-controlled boat specifically designed for hyacinth removal. This innovative solution leverages the capabilities of autonomous watercraft, equipped with advanced sensors and a specially designed cutting mechanism, to efficiently and effectively manage …
Published in Recent Trends in Fluid Mechanics · Vol. 11, Issue 1, 2024 · pp. 20–26 Read article
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Impact of Therapeutics on Carbapenem-Resistant Acinetobacter baumannii
Abstract: Acinetobacter baumannii, a formidable pathogen in healthcare settings, poses a significant threat due to its propensity to cause nosocomial infections. This bacterium exhibits several attributes that enable it to evade the human body's natural defenses. A. baumannii's remarkable adaptability is highlighted by its ease in acquiring antibiotic resistance determinants, rendering it challenging to treat. Its ability to thrive in hospital environments underscores the urgent need for stringent infection control practices …
Published in Research and Reviews: A Journal of Microbiology and Virology · Vol. 14, Issue 2, 2024 · pp. 1–11 Read article
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Current Drugs Target the EGFR
Abstract: Cancer is a devastating disease, but there have recently been significant advancements in therapy that have identified EGFR and its related proteins as valuable indicators and targets for treatment. The ERBB receptor tyrosine kinase superfamily includes EGFR, which is a transmembrane glycoprotein. When the EGFR receptor interacts to its particular ligand, EGF, it causes tyrosine residues to be phosphorylated and forms receptor dimers with other members of the receptor family. …
Published in Research and Reviews : A Journal of Medical Science and Technology · Vol. 13, Issue 2, 2024 · pp. 1–8 Read article
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Comparative Buckling Load Analysis of Thin Functionally Graded Material Plates with Variable Distributions: Power Law vs. Sigmoidal vs. Exponential
Abstract: A comprehensive comparative analysis of buckling load behavior in thin Functionally Graded Material (FGM) plates with variable material distributions is presented in this paper. FGMs, characterized by gradient composition, possess unique mechanical properties suitable for diverse engineering applications. The study focuses on three distinct distribution functions: Power Law, Sigmoidal, and Exponential, each exerting different influences on the material gradient. Finite Element Analysis is utilized in exploring the buckling response for …
Published in Journal of Polymer & Composites · Vol. 12, Issue 3, 2024 · pp. 98–105 Read article
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Socket Preservation: Review
Abstract: The removal of a tooth results in remodeling and absorption not only within the socket but also in the surrounding alveolar bone. Alterations in the bone ridge following extraction are unavoidable, influenced by the initial size of the socket, with wider sockets requiring more time to heal completely. Both the height and width of the bone undergo dimensional changes subsequent to tooth extraction.The volumetric bone reduction changes occur after tooth …
Published in Research and Reviews: A Journal of Dentistry · Vol. 15, Issue 2, 2024 · pp. 8–13 Read article