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131 articles for “molecular processes”
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Light-Matter Interactions in Molecular Photochemistry
Abstract: Molecular photochemistry explores the ways of molecules interaction with light, absorb photons, and excited‐state processes, and ultimately conversion of photon energy into chemical change. Core concepts of this innovative and relevant field are matter interaction like electronic, vibrational, and rotational transitions; non‐adiabatic couplings; energy & electron transfer; and light–matter coupling in weak and strong regimes. This article briefly surveys the multiplicity of these interactions, from the fundamentals of photon absorption …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 3, Issue 2, 2025 · pp. 33–42 Read article
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Generative AI for Designing Sustainable Polymer Composites for Renewable Energy Applications
Abstract: Sustainable polymer composites are increasingly required for renewable energy devices, yet conventional trial-and-error formulation cannot efficiently balance performance, processability, recyclability, and environmental constraints. This study proposes a generative artificial intelligence framework for designing polymer composites for photovoltaic encapsulation, dielectric energy storage, polymer electrolytes, and thermal-management systems. Public polymer-property and composite datasets were curated from open databases and published supplementary records. Chemical descriptors, molecular fingerprints, polymer embeddings, processing variables, and sustainability …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 Read article
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Data-Driven Digital Twin Model for Real-Time Strength Estimation in Polymeric Materials
Abstract: The real-time prediction of mechanical properties in polymeric materials is essential for ensuring quality, consistency, and operational efficiency in modern manufacturing systems. As industrial processes become increasingly complex, traditional trial-and-error approaches to material characterization are no longer sufficient to meet the demands of high-throughput production environments. This study introduces a digital twin-integrated machine learning approach for the real-time estimation of tensile strength in polymeric materials by combining simulation-driven insights with …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 246–257 Read article
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Computational Approaches to Understanding Cellular Signaling Pathways
Abstract: Cellular signaling pathways are fundamental in regulating vital processes, such as cell growth, differentiation, and apoptosis. The intricate and interconnected nature of these signaling networks requires sophisticated methods for their analysis. Computational approaches, including mathematical modeling, network analysis, and machine learning, have revolutionized the way researchers analyze and simulate cellular signaling. This article provides a comprehensive overview of computational strategies employed to model signaling pathways, with a focus on integrating …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 2, Issue 2, 2024 · pp. 8–13 Read article
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Enhance Thermal and Conductive Properties through Graph Neural Network-Based Machine Learning-Driven Advanced Polymer Material Design
Abstract: Advanced polymer materials are widely used in modern engineering and manufacturing because of their lightweight nature, flexibility, durability, and adaptability to different applications. However, designing polymer materials with enhanced thermal and electrical properties remains a challenging task. The performance of polymers is influenced by a complex combination of molecular structures, filler materials, processing parameters, and nanoscale interactions. Conventional optimization methods often require extensive experimental trials and computational resources, making it …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 Read article
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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
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MicroRNAs in Animal Behavior: Regulation of Memory and Decision-Making in Mammals
Abstract: MicroRNAs are small, non-coding RNA molecules that play a crucial role in post-transcriptional regulation of gene expression. In recent years, their significance has extended beyond cellular development and disease regulation, as emerging evidence suggests they are critical mediators in complex behavioral processes, including learning, memory, and decision-making. This article explores the role of miRNAs in regulating neural plasticity and cognitive functions in mammals, emphasizing their involvement in memory formation and …
Published in Research and Reviews : Journal of Veterinary Science and Technology · Vol. 13, Issue 3, 2024 · pp. 21–25 Read article
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Anticancer Activity of Calotropis procera by Molecular Docking Analysis
Abstract: Cyclin-dependent kinase 2 (CDK2) is a protein synthesized by Calotropis procera. It is known to be responsible for causing cancer in the human body. Studies have presented the significance of the phytochemicals to inhibit the CDK2 protein. Adsorption, distribution, metabolism, and excretion (Swiss ADME) and PubChem were the pharmacological tools which were used to check molecular weight, which should be less than 500D, acceptors less than 10, and donors less …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 2, Issue 1, 2024 · pp. 01–07 Read article
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Regression Analysis of Topological Indices and Physicochemical Properties of Polymer-Based Anticancer Drugs
Abstract: The research analyzed the quantitative correlation between topological indices and the physicochemical properties of selected anticancer compounds using regression analysis. Various topological descriptors—such as the First Zagreb Index, Second Zagreb Index, and Forgotten Index were calculated and regressed against key molecular features, including polar surface area, melting point, and molar refractivity. The regression analysis revealed linear correlations between these topological indices and the properties of anticancer drugs, with particularly strong …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 255–267 Read article
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Computational Simulations in Drug Discovery: Modeling Protein Folding and Drug Binding
Abstract: Computational simulations have become essential tools in drug discovery, offering unprecedented insights into molecular behavior at the atomic level. These simulations, particularly in the domains of protein folding and drug binding, allow for the exploration of complex biological systems that are often difficult to study experimentally. Protein folding, a critical aspect of drug discovery, involves the transition of a polypeptide chain from an unfolded to a biologically active structure. Understanding …
Published in Research and Reviews : Journal of Computational Biology · Vol. 14, Issue 1, 2025 · pp. 23–29 Read article
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Molecular Pharmacokinetics and Structural Docking of Phenolic Acids for Targeting NF-κB Pathway Components in Inflammation and Fibrosis: A Computational Approach Toward Therapeutic Discovery
Abstract: Inflammation and Fibrosis are critical pathological processes associated with various chronic diseases, often mediated by the nuclear factor kappa-light-chain-enhancer of activated B cells (NF-κB) signaling pathway. This study investigates the therapeutic potential of phenolic acids as modulators of the NF-κB pathway, aiming to identify novel ligands that can effectively interact with key components of this signaling cascade. A comprehensive computational approach was employed, utilizing molecular docking, pharmacological screening, and post-docking …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 3, Issue 1, 2025 · pp. 14–31 Read article
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Non-Enzymatic Glycation in Alzheimer’s and Parkinson’s Disease: A Molecular Approach to Pathology and Recent Advances
Abstract: Non-enzymatic glycation, a biochemical process by which reducing sugars spontaneously bind to proteins, leads to the formation of advanced glycation end-products (AGEs), which have emerged as critical contributors to the pathogenesis of several neurodegenerative diseases, particularly Alzheimer’s disease (AD) and Parkinson’s disease (PD). The accumulation of AGEs can significantly alter protein structure, stability, and function, triggering a cascade of detrimental effects, including increased oxidative stress, heightened neuroinflammation, and the promotion …
Published in International Journal of Molecular Biotechnological Research · Vol. 2, Issue 2, 2024 · pp. 36–41 Read article
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Pathways in Drug Discovery and Development: From Molecular Targets to Market Approval
Abstract: A complicated, multidisciplinary, and resource-intensive process, the discovery and development of new pharmacological drugs is essential to the advancement of contemporary medicine. Finding and optimising lead chemicals comes after a disease-relevant biological target has been identified and validated. Through preclinical research in animal models, these leads are thoroughly assessed for toxicity, pharmacokinetics, safety, and efficacy. Clinical trials, which are carried out in several stages to evaluate safety, efficacy, ideal dosage, …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 13, Issue 1, 2026 · pp. 01–04 Read article
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Identification of Secondary Metabolites from Zingiber officinale as Inhibitors for Keap 1-Nrf2 small Molecules through Molecular Docking Techniques
Abstract: Objective: Therapeutic plants aid in treating cancer-based cell signaling pathways and preventing certain risk factors. Zingiber officinale has a variety of anti-inflammatory characteristics also contributing to enhanced immunity, reducing cancer risk and used to target the KEAP NRF2. When overexpressed in response to oxidative stress and DNA damage, elevates the risk of developing multiple cancers. NRF2 cellular sensors, which also control and coordinate their expression aid in defending healthy cells …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 1, Issue 2, 2023 · pp. 35–48 Read article
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A Comparative Study of the Structure-Property Relationships in CAD/CAM Milled vs. 3D-Printed High-Performance Polymers: Impact of Molecular Orientation on Abrasive Wear
Abstract: Background: The transition from subtractive to additive manufacturing in prosthetic dentistry has introduced significant variations in the macromolecular architecture of high-performance polymers. While CAD/CAM milling utilizes high-density, industrially polymerized blocks, 3D printing (Additive Manufacturing) relies on layer-by-layer deposition, which may induce anisotropic molecular orientation. This retrospective study investigates how these distinct manufacturing "thermal histories" influence the long-term abrasive wear resistance of PEEK and PEKK restorations.Materials and Methods: Data were retrospectively …
Published in Journal of Polymer & Composites · Vol. 14, Issue 4, 2026 Read article
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Analysis of Bioinformatics Software Applied in Computer-Aided Drug Design
Abstract: The integration of bioinformatic tools with computational methods has revolutionized the field of Computer-aided Drug Design (CADD), enabling researchers to expedite the discovery and optimization of new therapeutics. This review provides an in-depth analysis of the bioinformatic tools utilized in CADD, encompassing molecular docking, molecular dynamics simulation, virtual screening, homology modelling, and molecular visualization. We go over the tenets, approaches, and uses of these instruments, emphasizing their value in expediting …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 11, Issue 2, 2024 · pp. 1–10 Read article
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Integrating Network Pharmacology and Molecular Docking to Assess Rutin’s Pharmacological Properties
Abstract: Objectives: In the present research, the network pharmacology process was applied to determine the underlying mechanism of the pharmacological properties of Rutin. Network pharmacology was utilized to reveal the interactions between medications and the targets of illnesses, and it is capable of completely articulating the complexity between diseases and medications. The identification of diverse drug-target interactions using network pharmacology may be utilized to discover novel medications for difficult conditions like …
Published in International Journal of Molecular Biotechnological Research · Vol. 1, Issue 1, 2023 · pp. 20–33 Read article
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Modeling of the Mechanism of Generating Processes of Water Electrolysis and Photosynthesis with Solar Energy Used for Productions of Gas Oxygen and Hydrogen, of Concentrate of the High-calorie Microalgae Chlorella, and for Industrial Wastewater Treatment
Abstract: The use of solar energy for generation of the process of water electrolysis, permitting the oxygen and hydrogen gases production, concentration of the high-calorie fast productive Chlorella microalgae, and industrial wastewater treatment is the most promising direction today. This is explained by the complete absence of electrical energy consumption for the implementation of these industrial technological projects. No less interesting is the process of photosynthesis of phytoplankton cells, which also …
Published in International Journal of Advance in Molecular Engineering · Vol. 1, Issue 1, 2023 · pp. 7–21 Read article
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Biopolymer Degradation and Structure–Property Relationships in Ageing: A Polymer Science Perspective
Abstract: Ageing, as viewed from the polymer sciences perspective, is perceived as the gradual modification of the structure-property-function interrelationship of biopolymers such as proteins, polysaccharides, nucleic acids and their molecular aggregates. Such changes include structural organization, mechanical behavior, physicochemical stability and functional effectiveness. Ageing is an inevitable multifactorial polymeric process. Due to the growing aging population globally, more age-associated complications emerge, which are correlated with the molecular degeneration of biopolymeric complexes. …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 479–489 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