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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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Treatment of Hepatotoxicity
Abstract: An instantaneous or prolonged response to a synthetic or natural substance is known as drug-induced liver injury, or drug-induced hepatotoxicity (DILI). There are two distinct pathways that lead to hepatotoxicity: the more unpredictable idiosyncratic mechanism and the dose-dependent intrinsic mechanism. Several pathways, some known and others speculated, may be involved in the emergence of drug-induced damage. Drug-induced liver impairment can have several causes, and elevated liver tests are one of …
Published in OmniScience: A Multi-disciplinary Journal · Vol. 15, Issue 1, 2025 · pp. 31–37 Read article
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POTENTIAL BIOPRESERVATIVE EFFECT OF ANTIMICROBIAL PEPTIDES OF SEEDS OF Vigna unguiculata (Cow Pea) ON Hibiscus sabdariffa L. (Roselle) Calyces (Zobo) DRINK
Abstract: Natural and efficient food preservatives are in greater demand because of growing concerns about the safety and quality of processed beverages. Antimicrobial peptides have emerged as promising natural substitutes for synthetic preservatives, boasting advantages like wide-ranging activity and reduced toxicity. In this research, we investigate the inhibitory effects of these peptides against common spoilage microorganisms in 'Zobo' drink. Peptides were extracted and purified from germinated Vigna unguiculata) seeds harvested on …
Published in Research & Reviews : Journal of Food Science & Technology · Vol. 14, Issue 1, 2025 · pp. 26–41 Read article
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Pharmacokinetic and Pharmacodynamic Studies of Black Seed Derived Compound
Abstract: Black seed (Nigella sativa) has been celebrated for centuries for its remarkable therapeutic properties. Among its bioactive compounds, thymoquinone (TQ) has gained significant attention in pharmacological research due to its diverse health benefits. This review delves into the pharmacokinetic (PK) and pharmacodynamic (PD) properties of black seed compounds, with a particular emphasis on TQ, the most extensively studied component. The PK of TQ includes the parameters of absorption, distribution, metabolism, …
Published in Research and Reviews : A Journal of Biotechnology · Vol. 15, Issue 1, 2025 · pp. 36–43 Read article
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Modeling and Analysis of a Diaphragm Micropump with Annular Actuation Using Bond Graphs
Abstract: Micropumps have been around for a while and are utilized for many things, including electrical cooling and biomedical applications. Numerous researchers have experimented with varying the chamber, diaphragm, pumping mechanism, or actuation mechanism materials to improve the device's performance. Despite this, the micropumps employed in the practical applications mentioned above fall short of meeting the necessary flow rates and pressure. In this study, annular actuation is proposed to enhance performance. …
Published in International Journal of Machine Systems and Manufacturing Technology · Vol. 2, Issue 2, 2024 · pp. 34–48 Read article
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QSAR Modeling of a Novel Series of Methoxylated Chalcones as Antioxidant Agents Against Gram-Positive Bacteria Staphylococcus aureus
Abstract: Background: Chalcones are aromatic ketones belonging to the flavonoid family. They are plant-based compounds and are widely found in nature. For centuries, these bioactive molecules have been utilized in various traditional medicines for the treatment of several ailments. Chalcones have antibacterial, antiviral, antimalarial, antifungal, antioxidant, and antileishmanial properties. They are also used to treat inflammation and cancer. Chalcones act as angiogenesis inhibitors, an important factor in cancer progression and metastasis. …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 3, Issue 1, 2025 · pp. 28–34 Read article
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Self-Healing Thin Films: Paving the Way for Smart, and Sustainable Corrosion Protection
Abstract: Corrosion is one of the serious problems that industries and infrastructures of every type face, ranked among such threats as huge economic losses and concerns to global safety. Recent developments in the area of self-healing thin films make them a really promising innovation for enhancing corrosion protection. This review considers the development, mechanisms, and applications of self-healing thin films. Detailed here are intrinsic and extrinsic self-healing strategies oriented toward chemical …
Published in International Journal of Crystalline Materials · Vol. 2, Issue 1, 2025 · pp. 22–45 Read article
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Enhancing Bituminous Mixes with Recycled Polyethylene: Performance Analysis Using Marshall Stability Test
Abstract: This study investigates the impact of incorporating recycled low-density polyethylene (LDPE) and high-density polyethylene (HDPE) in bituminous mixes for potential use in flexible pavement construction. Utilizing a Marshall Stability Test, various proportions of LDPE and HDPE were analyzed to determine optimal stability and flow characteristics. The test maintained a fixed Zycotherm content at 1.5% and varied LDPE content from 2% to 5% by weight, while HDPE content was also tested …
Published in Recent Trends in Civil Engineering & Technology · Vol. 15, Issue 1, 2025 · pp. 1–5 Read article
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The Art of Drug Design and Process Chemistry
Abstract: The creation of safe and efficient medications depends heavily on the art of drug design and process chemistry. This multidisciplinary discipline designs and optimizes drug candidates for therapeutic uses by fusing the concepts of biology, chemistry, and engineering. Researchers can develop compounds with pharmacological activity by using logical drug design techniques if they have a thorough understanding of the molecular targets implicated in disease pathways. By making it easier to …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 1, 2025 · pp. 1–10 Read article
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Enhancing Concrete Performance With GGBFS: An Analysis of Strength Characteristics at Various Replacement Levels
Abstract: This study investigates the effect of ground-granulated blast furnace slag (GGBFS) as a partial replacement for cement on the mechanical properties of concrete. The primary objective was to assess the compressive, flexural, and split tensile strengths, along with the modulus of elasticity, at different replacement levels of cement with GGBFS and at distinct curing ages of 7, 28, and 56 days. Concrete mixes were prepared by replacing cement with GGBFS …
Published in Journal of Polymer & Composites · Vol. 13, Issue 2, 2025 · pp. 121–138 Read article
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The State of Air Quality: Pollution Sources, Health Implications, and Future
Abstract: Air quality is a critical component of environmental health, significantly affecting human well-being and ecological balance. Poor air quality has been related to a variety of health issues, including respiratory and cardiovascular disorders, and it is a major cause of early death worldwide. Understanding the origins, kinds, and impacts of air pollutants is critical for establishing effective pollution-reduction initiatives. This review focuses on the principal pollutants that affect air quality, …
Published in International Journal of Atmosphere · Vol. 1, Issue 2, 2024 · pp. 1–4 Read article
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Health Hazards of Nanoparticles and Environmental Pollutants
Abstract: The exponential growth in the use of nanoparticles and the prevalence of environmental pollutants have raised significant concerns regarding their health hazards. Nanoparticles, owing to their unique physicochemical properties—such as small size, high surface areatovolume ratio, and chemical reactivity—can penetrate biological barriers, including the bloodbrain barrier, and interact at the cellular and molecular levels. This can lead to oxidative stress, inflammation, and cellular dysfunction, ultimately resulting in potential toxicity. Similarly, …
Published in Research and Reviews: A Journal of Toxicology · Vol. 15, Issue 1, 2025 · pp. 1–9 Read article
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Women Safety Night Patrolling Device
Abstract: With increasing societal concerns regarding women's safety, the Women's Safety Project emerges as a crucial response to empower women through a secure distress signal mechanism during emergencies. This comprehensive initiative seamlessly integrates advanced hardware, including a GPS module and a distress button connected to an Arduino, alongside a dynamic web platform. The escalating challenges faced by women underscore the pressing need for a reliable safety solution, prompting the development of …
Published in Journal of Communication Engineering & Systems · Vol. 15, Issue 1, 2025 · pp. 32–39 Read article
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Exploring the Effects of Yogic Meditation on Stress, Anxiety, and Cardiovascular Health: A Prospective Cross-Sectional Cohort Study at Desh Bhagat Hospital
Abstract: Background: Stress and anxiety are significant risk factors for cardiovascular disorders, with growing evidence suggesting that yogic meditation can mitigate these effects. This prospective cross-sectional cohort study was conducted to evaluate the impact of yogic meditation on stress, anxiety, and cardiovascular parameters among patients attending Desh Bhagat Hospital. Methods: A cohort of 350 patients was recruited, comprising individuals presenting with elevated stress, anxiety, or cardiovascular conditions. Participants underwent a guided …
Published in Journal of AYUSH: Ayurveda, Yoga, Unani, Siddha and Homeopathy · Vol. 14, Issue 1, 2025 Read article
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Resource Reservation Approach: Application in Wireless Network
Abstract: This paper presents an enhanced resource reservation and call admission control strategy tailored for cellular networks. The proposed method uses user mobility trends to improve the efficiency of resource usage while avoiding significant network congestion. The call admission control mechanism is activated each time a new or handoff service request occurs, ensuring that resources are allocated efficiently to uphold a steady quality of service (QoS) for multimedia traffic. This mechanism …
Published in International Journal of Wireless Security and Networks · Vol. 3, Issue 1, 2025 · pp. 9–12 Read article
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Solar Energy for Sustainable and Efficient Agriculture
Abstract: Agriculture is the mainstay of Indian economy and a sustainable agriculture the need of the hour. Today in the developing world where technology is dominating all aspects of life, agriculture is no longer untouched. It would be very right to say that agriculture and technology are going hand in hand and it’s the technological advancement which has taken agriculture at new heights. However technological advancements have their own disadvantages including …
Published in Journal of Nuclear Engineering & Technology · Vol. 15, Issue 1, 2025 · pp. 12–16 Read article
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Effect of Different Incubation Times on the Effectiveness of Oyster Mushrooms Towards the Growth of Some Fungal Isolates
Abstract: The study was conducted by preparing the filtrate of the oyster mushroom Pleurotus ostreatus, where the effectiveness of the fungal filtrate prepared from growing the fungus in the liquid Potato Dextrose Broth (PDB) medium was selected for two different periods (14, 28 days) in inhibiting some types of fungi (Aspergillus Spp : Aspergillus niger ،Aspergillus flavus, Aspergillus terreus) and some types of fungi (Candida Spp: Candida albicans, Candida tropicalis, Candida …
Published in Research and Reviews : A Journal of Life Sciences · Vol. 15, Issue 2, 2025 · pp. 1–8 Read article
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The ability of Henna Leaf Extract to affect The growth of some Fungi
Abstract: The study was conducted by preparing an aqueous extract of henna leaves, which were collected from A garden in a house located in Najaf Governorate was used to test the inhibitory effects of an extract against two fungal isolates: Aspergillus niger and Candida albicans. The extract was prepared in a series of concentrations: 5, 10, 15, 20, and 25 mg/ml. The results showed an inhibitory effect of the concentrations used …
Published in OmniScience: A Multi-disciplinary Journal · Vol. 15, Issue 2, 2025 Read article
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Nano Graphene Oxide Synthesis, Characterization, and Application in Thermoplastics
Abstract: The derivative graphene oxide (GO) is made of graphene, which is a layer of carbon atoms organized in a hexagonal lattice that is one atom thick. Graphene oxide possess remarkable properties like high surface area, excellent mechanical strength, and electrical conductivity, making GO a material of interest for a wide range of applications. The synthesis of nano graphene oxide (nGO) involves oxidation that introduce oxygen functional groups onto the surface …
Published in Journal of Modern Chemistry & Chemical Technology · Vol. 16, Issue 2, 2025 · pp. 1–7 Read article
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Advancements in Electromechanical Modeling for Energy Harvesting and Actuators in Robotics and Design Engineering
Abstract: This article examines the expanding field of electromechanical modeling, highlighting the integration of energy harvesting, actuator behavior, and magnetic/electromagnetic analyses in the design and production of electromechanical systems. It discusses the application of the Galerkin method for modeling intricate vibrations and torque generation, with a particular focus on its use in actuators for robotics and induction motors. Significant advancements in energy harvesting methods, especially those utilizing mechanical vibrations, have led …
Published in International Journal of Electro-Mechanics and Material Behaviour · Vol. 2, Issue 2, 2024 · pp. 21–25 Read article
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Length–Weight and Girth Relationship, Condition Factor, and Stomach Contents of Pila Ovata from Otuoke/Otuaba River, Bayelsa State, Nigeria
Abstract: Otuoke/Otuaba River situated in Otuoke, Bayelsa State, Nigeria serves numerous purposes, such as fishing, laundry, human feacal disposal, amongst others. The river is home to Pila ovata, a mollusc which serves as a special delicacy in the meals of most Bayelsan due to its high protein content. The length-weight and girth relationship, condition factor and stomach contents of P. Ovata (Apple snail) from Otuoke/Otuaba River was studied. Snail samples were …
Published in International Journal of Marine Life · Vol. 2, Issue 1, 2025 · pp. 10–17 Read article