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90 articles for “Structure–property relationships”
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Correlation Between XRD Analysis and Mechanical Characterization Using Lens Manufactured Specimens Based on IoT Sensors
Abstract: The advent of the Internet of Things (IoT) has enabled the seamless integration of sensors into the manufacturing process, facilitating the collection of real-time data for analysis and optimization. The correlation between X-ray diffraction (XRD) analysis and mechanical characterization is investigated using specimens manufactured through the Laser Engineered Net Shaping (LENS) technique. The study focuses on three different materials: brass, SS202, and SS304. XRD analysis is employed to determine the …
Published in Journal of Polymer & Composites · Vol. 12, Issue 2, 2024 · pp. 41–58 Read article
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Comprehensive Review of the Fundamental and Functional Properties of Crystalline Materials
Abstract: Crystalline materials, characterized by their highly ordered atomic arrangements, serve as the backbone of modern engineering and technology. This review provides a detailed examination of their diverse properties, categorized into mechanical, thermal, electrical, and optical domains. We analyze fundamental mechanical parameters such as the elastic modulus, yield strength, and fracture toughness, alongside functional behaviors like fatigue and creep. The discussion extends to thermal transport and expansion, electrical conductivity and resistivity, …
Published in International Journal of Crystalline Materials · Vol. 3, Issue 1, 2026 · pp. 20–24 Read article
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Mathematical Modelling of Semiconductor Device Physics: An Analytical Approach
Abstract: Semiconductor device physics forms the foundation of modern electronic and optoelectronic technologies. Mathematical modelling provides a rigorous framework for understanding, predicting, and optimizing the behavior of semiconductor devices by linking physical principles with device-level performance. This work presents an analytical approach to the mathematical modelling of semiconductor devices, emphasizing the derivation and interpretation of governing equations that describe charge transport and electrostatic behavior. The model is based on fundamental physical …
Published in Research & Reviews: Discrete Mathematical Structures · Vol. 13, Issue 1, 2026 · pp. 36–42 Read article
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Spectral Intuitionistic Fuzzy Hypergraph Operators and Dominance Kernels for Resilient Discrete Network Design
Abstract: A new discrete-mathematical framework is developed for resilient network design on intuitionistic fuzzy hypergraphs, where uncertainty is explicitly represented through membership, non-membership, and hesitation degrees associated with both vertices and hyperedges. These three components are systematically integrated into an effective incidence operator that captures the underlying uncertain relationships within complex hypergraph structures. Based on this operator, both un-normalised and normalized Laplacian matrices are formulated to characterize the spectral properties and …
Published in Recent Trends in Mathematics · Vol. 3, Issue 2, 2026 · pp. 41–48 Read article
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Study on the Mechanical Properties of Additively Manufactured Metallic Structures
Abstract: A revolutionary technology that has made it possible to produce intricate metallic structures with customized mechanical properties is additive manufacturing, or AM. An extensive analysis of the mechanical properties of metallic components made using additive manufacturing processesis presented in this paper. The study explores how material choice, post-processing techniques, and process parameters affect the mechanical behavior of AM metallic structures. By examining tensile strength, fatigue characteristics, hardness, ductility, impact resistance, …
Published in Journal of Experimental & Applied Mechanics · Vol. 14, Issue 3, 2023 · pp. 1–6 Read article
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Drug-likeness and 3D-QSAR Analysis of 1,2,3-triazoles as Novel Potent HIV-1 Vif Inhibitors: An approach in the development of Leads in the Treatment of HIV Infection
Abstract: AbstractThe human immunodeficiency virus type 1 (HIV-1) Vif protein is one of various primate lentiviral accessory proteins that act as a virulence factor to advance viral duplication and persistence. 3D quantitative structure-activity relationship (QSAR) modeling of thirty-six (36) newly discovered 1,2,3-triazole analogs as potent novel inhibitors of HIV-1 Vif to predict their biological activity (pIC50), to try to improve/optimize it using some numerical data of HIV-1 Vif inhibitors based on …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 9, Issue 3, 2022 · pp. 23–37 Read article
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Harnessing the Medicinal Potential of SwertiaChirata: A Phytochemical Strategy for Controlling Coronavirus Symptoms Like High Fever and Anxiety
Abstract: The current investigation focuses on exploring the therapeutic capacities of SwertiaChirata, colloquially known as Chirata, in managing the symptomatic displays of coronavirus infections. Chirata, a member of the Gentianaceae family, is a distinguished herb extensively used in Ayurvedic and Unani medicinal traditions, acknowledged for its myriad of healing qualities. In addition to its regular use in combating fever and loss of appetite, its prominent antioxidant traits position it as an …
Published in International Journal of Biomedical Innovations and Engineering · Vol. 1, Issue 2, 2023 · pp. 27–31 Read article
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Anisotropic Debye-Waller Factors and Debye Temperatures in Hexagonal Close-Packed Elements: A Comprehensive Compilation and Analysis
Abstract: In this study, we have investigated the anisotropic behavior of Debye-Waller factors (DWFs) and Debye temperatures (DTs) in three distinct materials: hexagonal rhenium (Re), osmium (Os), and thallium (Tl). We conducted a comparative analysis, aligning our experimental data on directional Debye temperatures with theoretical calculations. This exercise provided valuable insights into the concurrence between practical and theoretical approaches, thereby offering a critical evaluation of the accuracy and reliability of theoretical …
Published in Journal of Polymer & Composites · Vol. 11, Issue 12, 2023 · pp. 32–39 Read article
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Polymer Chemistry and Nanocomposite Network Design of PEGDA-Based Hydrogels
Abstract: The chemical structure and crosslinking density of polyethylene glycol diacrylate (PEGDA) can be systematically tailored, making it a versatile polymeric network in biomedical engineering, drug delivery, tissue engineering, biosensing and advanced manufacturing. PEGDA is a polymerizable acrylate-functionalized hydrophilic PEG that can be polymerized to make three-dimensional networks via free-radical polymerization, specifically photoinitiated. The resulting network architecture depends on the PEGDA molecular weight, the concentration of precursors, the polymerization conditions, the …
Published in Journal of Polymer & Composites · Vol. 14, Issue 5, 2026 Read article
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DFT/Data Guided Predictive Modelling of Absorption Maxima in the OLED Rubrene Derivatives
Abstract: This study investigates the optical properties of rubrene derivatives to develop an accurate predictive model for absorption maxima using computational chemistry and chemoinformatic techniques. We benchmarked various quantum chemical methods, identifying that the M06-2X/aug-cc-pVDZ method in dichloromethane (DCM) provided the strongest correlation with experimental data. Key molecular descriptors such as band gap, ionization potential, and electrophilicity index were calculated and analyzed using principal component analysis (PCA) to identify significant factors …
Published in International Journal of Cheminformatics · Vol. 4, Issue 1, 2026 · pp. 41–56 Read article
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Structure–Property Relationships in Poly (N isopropylacrylamide) Hydrogels: Toward Thermoresponsive Polymer Composites
Abstract: Poly(N-isopropylacrylamide) (PNIPAAm) hydrogels can shift from solid to gel and back again at body temperature. Due to their lack structural integrity, thermal stability, and mechanical strength, they are difficult to use. This study mixed PNIPAAm with biocompatible fillers like chitosan and silicon nanoparticles to create hydrogels with superior structure-property correlations. Free radical polymerization with ammonium persulfate/TEMED initiator and N,N′-methylenebisacrylamide crosslinker produced the composites. Scanning electron microscopy showed a denser, interconnected …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 884–895 Read article
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Heteroatom modified carbon dots (N, P, K): synthesis, surface functionalization, and prospects for soil‑fertility enhancement
Abstract: Heteroatom‑functionalized carbon dots (H‑CDs) have emerged as a class of zero‑dimensional carbon nanomaterials offering tunable optical, electronic, and catalytic properties through controlled nitrogen, phosphorus, and potassium doping. This review highlights the chemistry and chemical‑technology dimensions of N‑, P‑, and K‑doped carbon dots (N‑CDs, P‑CDs, K‑CDs), focusing on their synthesis strategies, surface functionalization, and structure–property relationships. Conventional routes such as microwave‑assisted pyrolysis, hydrothermal carbonization, and one‑pot solvothermal methods are discussed, with …
Published in Journal of Modern Chemistry & Chemical Technology · Vol. 17, Issue 2, 2026 · pp. 30–35 Read article
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A Comprehensive Study of ZnxFe2-xO3 Nanoparticles: Assessing Magnetic Properties for Medical Imaging (MI)
Abstract: Diluted magnetic ZnxFe2-xO3 nanoparticles are special semiconducting nanoparticles which are recognized for their magnetic properties. A theoretical examination of Zn-doped αFe2O3 nanostructures reveals a range of structural and property variations, offering insights into their potential applications and behavior at the nanoscale. In this regard, Heisenberg’s model and Weiss molecular filed theory is used to describe the magnetic properties of ZnxFe2-xO3 nanoparticles. These theorems inevitably enable to investigate the relationship between …
Published in Nano Trends – A Journal of Nano Technology & Its Applications · Vol. 26, Issue 2, 2024 · pp. 18–25 Read article
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Exploring the Impact of Lattice Strain on the Debye-Waller Factor in Iron Nanoparticles: A Comprehensive Analysis
Abstract: This study systematically investigates the influence of lattice strain and particle size in iron powder produced through milling, employing X-ray powder diffraction. The determination of lattice strain (ε) and the Debye-Waller factor (B) is accomplished by analyzing Bragg reflection half-widths and integrated intensities. Significantly, the Debye-Waller factor exhibited a notable increase with lattice strain. By establishing a correlation between stress and the influential Debye-Waller factor, we derived a precise relationship …
Published in Journal of Polymer & Composites · Vol. 11, Issue 12, 2023 · pp. 215–224 Read article
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Mechanical Performance and Material Properties of Nsm CFRP Polymer System
Abstract: Near-surface mounting systems are an advanced embedded technique application of CFRP composites in which the efficiency of the structure is mostly dominated by polymer matrix properties and interface stress transfer mechanisms. This review presents a holistic materials-based perspective on the experiment, analytical, and numerical studies conducted on the NSM-CFRP composite system, specifically on the behavior of the epoxy adhesive, interfacial behavior of composite–substrate system, and related structure–property relationships. The literature …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 311–319 Read article
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3D-QSAR Studies, Molecular Docking and Adme Property Prediction of Mannosyl Triazoles Used as Potent Antiadhesives of Uropathogenic E. coli
Abstract: Urinary tract infections (UTIs) are among the most common infectious diseases, accounting for almost five million cases annually and causing considerable morbidity and mortality. Escherichia coli is a commensal inhabitant of the mammalian large intestine and the most common cause of UTIs in humans. Increasing incidence of antibiotic-resistant E. coli causing up to 95% of these infections, calls for additional therapeutic considerations. In this study, 3D-quantitative structure-activity relationship (3D-QSAR) analysis …
Published in Research and Reviews : A Journal of Biotechnology · Vol. 6, Issue 1, 2016 · pp. 26–33 Read article
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Determination of Bearing Strength Characteristics of Fine and Coarse Cohesive Soils from its Index Properties
Abstract: The variation in geology, cost and complexity in the preparation and testing for strength characteristics of soils from location to location has challenged geotechnical engineers to make optimum use of empirical formulas to predict bearing strength characteristics of soils. One major One major One major One major One major One major problem associated with bearing capacity of soil includes the different engineering properties associated with different geologic formations which have …
Published in Journal of Geotechnical Engineering · Vol. 7, Issue 2, 2020 · pp. 1–12 Read article
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Assessing Nanomaterial Toxicity and Environmental Behavior: Toward Sustainable and Safe Nanotechnology
Abstract: The rapid advancement of nanotechnology has introduced engineered nanomaterials into diverse sectors including medicine, agriculture, electronics, and consumer products. However, the unique physicochemical properties that make nanomaterials valuable also raise significant concerns about their potential toxicity to human health and ecological systems. This study presents a comprehensive survey-based analysis of 400 respondents from diverse professional backgrounds across seven countries to assess perceptions and understanding of nanomaterial toxicity mechanisms and environmental …
Published in Nano Trends – A Journal of Nano Technology & Its Applications · Vol. 28, Issue 1, 2025 · pp. 1–11 Read article
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Modulation of Receptor Proteins: A Recent Paradigm in Drug Discovery and Target
Abstract: The main aim in drug discovery is to design different ligands those work on specific drug targets. However, various effective drugs work through the modulation of many proteins than single target. Advancement in system biology are establishing a phenotypic strength and a network structure, which suggests that, the excellent selective compounds may be performed less than desired clinical efficacy in comparison to multi-target drugs. In this new appreciation of the …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 5, Issue 1, 2018 · pp. 14–24 Read article
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Graph Theoretic Analysis of Cyclodextrin Polymers
Abstract: Topological indicators in chemical graph theory are essential tools in cheminformatics, providing valuable insights into molecular structure and properties to make more accurate predictions about the behavior and efficacy of novel compounds in drug design. The macro molecules are correlated with certain derivatives. The derivatives are growing structures which depends on the cyclic structures. The Cyclodextrin is one of the cyclic structures which depends on the carbon atoms. The polymer …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 997–1006 Read article