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200 articles for “compound”
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QSAR Modeling Techniques: A Comprehensive Review of Tools and Best Practices
Abstract: Quantitative Structure–Activity Relationship (QSAR) modeling has become an essential tool in drug discovery, toxicity assessment, and environmental chemistry. By correlating chemical structure with biological activity or toxicity, QSAR enables the prediction of compound behavior without extensive experimental testing. This approach not only saves time and resources but also supports ethical practices by reducing reliance on animal studies. The evolution of QSAR from basic linear models to advanced machine learning and …
Published in International Journal of Cheminformatics · Vol. 3, Issue 1, 2025 · pp. 56–63 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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Impacts of Climate Change on Land Degradation: A Review of Mitigation
Abstract: Land degradation has emerged as one of the most pressing environmental challenges globally, significantly impacted by the multifaceted and escalating effects of climate change. The degradation of land, including soil erosion, nutrient depletion, deforestation, and desertification, directly threatens food security, biodiversity, and human livelihoods. As climate change leads to increasingly erratic weather patterns, including prolonged droughts, intense rainfall, and extreme temperatures, land degradation has become more pronounced and widespread, exacerbating …
Published in International Journal of Land · Vol. 2, Issue 1, 2025 · pp. 6–10 Read article
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Low-Grade Heat Recovery: Emerging Materials and Systems for Efficient Utilization
Abstract: Low-grade heat (LGH), generally characterized by temperatures below 200°C, constitutes a significant portion of wasted thermal energy in industrial, commercial, and even residential processes. Despite its vast availability, the efficient recovery and utilization of LGH remains underdeveloped due to its inherently low exergy content and the limitations of traditional heat recovery technologies. The creation of cutting-edge materials and creative system-level approaches for LGH recovery has accelerated significantly as companies continue …
Published in International Journal of Energy and Thermal Applications · Vol. 3, Issue 1, 2025 · pp. 24–29 Read article
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Molecular Docking Analysis of Berberis aristata Phytocompounds as Potential Growth Factor Receptor Blockers in Cancer Therapy
Abstract: Middle-aged and older women are susceptible to breast cancer (BC), a potentially fatal condition. When breast cancer is diagnosed, the median age is 62. Breast cancer diagnoses in women under 45 are comparatively uncommon, whereas the bulk of breast cancer diagnoses occur in women 62 and older. Growth factor receptors are interesting therapeutic targets because of their critical role in the pathophysiology of cancer. Vascular endothelial growth factor receptors (VEGFR-2) …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 3, Issue 2, 2025 · pp. 1–10 Read article
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Molecular Docking Studies of Nyctanthes arbor-tristis Phytochemicals for Targeting TNF Receptor in Arthritis
Abstract: Rheumatoid Arthritis is an autoimmune disorder which results in inflammation. Tumor necrosis factor-alpha (TNF-α) is responsible for the progression of inflammatory arthritis by promoting immune cell activation and cytokine release. The present study explores the potential of bioactive compounds derived from Nyctanthes arbor-tristis (Parijat) in modulating TNF receptor activity through molecular docking. Computational methods were employed to evaluate the binding affinity of selected phytocompounds from N. arbor-tristis against the extracellular …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 3, Issue 2, 2025 · pp. 11–21 Read article
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In silico Molecular Docking Analysis of Stephania glabra phytocompounds Targeting Thymidylate Kinase for potential Antituberculosis Activity
Abstract: Tuberculosis (TB) is an infectious disease caused by the bacteria Mycobacterium tuberculosis. It mainly affects the lungs and spreads through the air when a person with active TB in their lungs coughs, sneezes, or spits. This study investigates several bioactive compounds derived from plants to forecast how effective plant-based ligands will be at preventing tuberculosis. The purpose of the study was to use computational techniques to assess the effectiveness of …
Published in International Journal of Molecular Biotechnological Research · Vol. 3, Issue 2, 2025 Read article
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Health and Air Quality in High-Density Neighbourhoods of Delhi
Abstract: Delhi, one of the fastest-growing megacities in the world, continues to grapple with critical challenges of urban air pollution and its direct consequences on public health. High-density neighborhoods like Karol Bagh, Lajpat Nagar, Chandni Chowk, and East Delhi face disproportionately higher exposure to degraded air quality due to compact urban forms, overcrowding, mixed land use, and heavy traffic. This paper explores the interrelationship between air quality and health outcomes, emphasizing …
Published in International Journal of Environmental Planning and Development Architecture · Vol. 3, Issue 2, 2025 · pp. 26–32 Read article
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Heat Stress Mitigation in Resource-Constrained Dairy Farming Systems: Practical Strategies for Sustainable Development
Abstract: Heat stress poses a critical threat to dairy production, particularly in resource-constrained systems prevalent across tropical and subtropical regions. Elevated ambient temperatures, compounded by high humidity, directly impair feed intake, milk yield, reproductive efficiency, and overall animal welfare. In low-resource settings, conventional cooling technologies such as automated fans, sprinklers, and climate-controlled housing remain economically inaccessible. Therefore, cost-effective, locally adaptable, and sustainable solutions are essential for maintaining productivity and animal health. …
Published in International Journal of Climate Conditions · Vol. 2, Issue 2, 2025 · pp. 1–12 Read article
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Exploring Abies grandis phytocompounds potential by in silico analysis targeting on the 5P9J Protein
Abstract: Blood Cancer, also popular with name ‘Hematologic cancer’ have variety of types: Leukaemia, Lymphoma, Myeloma, uncontrolled multiplication of blood cells mainly affecting to bone marrow and blood cells (White Blood Cells). Lymphoma, originating from lymphatic system resulted in uncontrolled growth and instead of normal apoptosis development of tumor. Myeloma, uncontrolled formation of malignant plasma cells leads disrupting production of healthy blood cells. This situation creates variety of diseases like anaemia, …
Published in International Journal of Molecular Biotechnological Research · Vol. 3, Issue 2, 2025 Read article
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Carbon Dioxide as a Fundamental Component in Sustainable Organic Synthesis
Abstract: A lot of people are interested in carbon dioxide (CO₂) as a cheap, plentiful, and safe source of carbon for making chemical processes more sustainable. Using it as a C1 building block in organic synthesis is a promising way to make products with added value while having less of an impact on the environment. This article examines current advancements in CO₂ fixation into organic compounds, emphasising the creation of effective …
Published in International Journal of Advance in Molecular Engineering · Vol. 3, Issue 2, 2025 · pp. 22–34 Read article
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CB₁ Reverse Agonists: A Cheminformatic and Patent Landscape Study
Abstract: The endocannabinoid system plays a crucial role in numerous physiological functions, making cannabinoid receptor 1 (CB1) an attractive target for therapeutic development. This review provides a systematic analysis of patent filings from 2019 to 2023 that focus on small-molecule CB1 reverse agonists. It begins with an overview of the endocannabinoid system, highlighting CB1’s involvement in energy balance, pain regulation, and neuroinflammatory processes The main section of the review examines fifteen …
Published in International Journal of Cheminformatics · Vol. 3, Issue 2, 2025 · pp. 33–36 Read article
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Multifunctional and Photocatalytic Properties of DyFeO₃/Dy₃Fe₅O₁₂ Biphasic Nanoparticles
Abstract: Rare-earth orthoferrites constitute a class of compounds that exhibit remarkable magnetic, optical, and electronic properties across a wide temperature range. In the present study, a dysprosium-based orthoferrite containing dual phases of DyFeO₃ perovskite and Dy₃Fe₅O₁₂ garnet was successfully synthesized via the co-precipitation technique. X-ray diffraction (XRD) analysis was employed to investigate the structural configuration of the synthesized material. The diffraction pattern confirmed the formation of a biphasic composite comprising orthorhombic …
Published in International Journal of Crystalline Materials · Vol. 2, Issue 2, 2025 · pp. 41–54 Read article
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Integrated, Geospatial Risk Assessment of Air, Water, and Soil Pollution Impacts on Agricultural Sustainability using Advanced Digital Technologies
Abstract: The systemic threat posed by the convergence of air, water, and soil contaminants represents a critical challenge to global agricultural resilience and food security. Traditional, site-specific pollutant monitoring methods are insufficient for capturing the dynamic, diffuse, and often nonlinear nature of environmental risk pathways that permeate agrarian landscapes. This study presents a robust framework for comprehensive risk assessment utilizing a synergistic suite of modern tools designed for spatial, temporal, and …
Published in International Journal of Environmental Noise and Pollution Control · Vol. 3, Issue 2, 2025 · pp. 28–37 Read article
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Designing for Indoor Air Quality: Using Plants and Ecofriendly Materials
Abstract: This study’s main objective is examining passive design techniques that optimize energy efficiency, such as natural ventilation, daylighting, and thermal insulation. It explores their potential to reduce energy consumption and enhance occupant comfort while minimizing reliance on mechanical systems. Sustainability is a key focus throughout the study, highlighting the importance of adopting sustainable practices in the design and construction industry. The research explores strategies for reducing environmental impact, minimizing waste, …
Published in International Journal of Sustainability · Vol. 2, Issue 2, 2025 · pp. 13–20 Read article
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Advanced Lithium-Ion Battery Prognostics: A Comprehensive Review of Machine Learning Approaches for Remaining Useful Life Prediction
Abstract: The lithium-ion battery (LIB), as one of the main sources for portable power systems, has been increasingly popular owing to its widespread applications in electric vehicles, consumer electronics, aerospace and renewable energy. Despite their advantages in high energy density and long cycle life, LIBs suffer from degradation over time of aging and cycling, resulting in loss of performance, safety issues, and economic bottlenecks. Predicting their Remaining Useful Life (RUL) is …
Published in International Journal of Mechanical Dynamics and Systems Analysis · Vol. 3, Issue 2, 2025 · pp. 12–27 Read article
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A Decade of Viral Evolution (2015–2025): Emergence, Mutations, and Implications for Global Health
Abstract: Over the past decade (2015-2025), viral evolution has profoundly reshaped the global health landscape, challenging healthcare systems, diagnostic tools, therapeutic strategies, and vaccine efficacy. This review comprehensively analyzes the evolutionary trajectories of major human and zoonotic viruses, with a focus on pandemic-prone, drug-resistant, and emerging pathogens. Viral evolution is driven by diverse molecular mechanisms including high mutation rates, recombination, reassortment, host immune pressure, and antiviral interventions, leading to genetic diversification, …
Published in International Journal of Vaccines · Vol. 2, Issue 2, 2025 · pp. 31–40 Read article
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A Study on Leveraging Sensors and AI in Insect-Inspired Robotics for Unstructured Environments: Bio-Inspired Autonomy
Abstract: Insects, with their unparalleled agility, resilience, and highly efficient sensory-motor control in complex, unstructured environments, offer a rich blueprint for the next generation of autonomous robots. This study explores the design, implementation, and potential of insect-inspired robots, focusing on the synergistic integration of miniaturized sensor arrays and advanced Artificial Intelligence (AI) algorithms. We delve into bio-mimetic sensing, drawing inspiration from compound eyes, olfactory systems, and tactile hairs, to equip robots …
Published in International Journal of Robotics and Automation in Mechanics · Vol. 3, Issue 2, 2025 · pp. 7–21 Read article
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The Impact of Bacteria and Biostimulants on Crude Oil Breakdown in Loamy Soil
Abstract: This study investigates the influence of bacteria and biostimulants—specifically Bryophyllum pinnatum leaves soaked in both water and ethanol—on the degradation of crude oil in loamy soil. A laboratory-scale bioremediation setup was employed using a batch reactor model and first-order degradation kinetics to assess total petroleum hydrocarbon (TPH) breakdown under controlled conditions. Various analytical tools and procedures, including gas chromatography (Agilent 6890) and microbial media such as nutrient agar and mineral …
Published in International Journal of Pollution: Prevention & Control · Vol. 3, Issue 2, 2025 · pp. 15–22 Read article
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Factors Affecting Mammalian Embryo Culture: A Detailed Review
Abstract: Human IVF has made remarkable progress, but optimizing the in vitro environment remains essential and crucial for supporting embryo development and improving overall clinical outcomes in assisted reproductive technologies (ART). Even with advances in complex culture media, incubator design, and laboratory workflows, embryos grown outside the body are still exposed to chemical and physical stressors that can significantly affect their developmental potential. In this review, we discuss key chemical stressors, …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 4, Issue 1, 2026 Read article