Volume & Issue: Volume 5, Issue 3, Spring 2026 
Number of Articles: 8

Sequential Development of Papillary Thyroid Carcinoma in Unilateral Graves’ Disease: A Case Report

Pages 169-173

https://doi.org/10.5281/zenodo.18614062

Mahmoud Ali Kaykhaei, Azra Karimkoshteh, Mehdi Jahantigh

Abstract Background: Unilateral Graves’ disease (UGD) is a rare form of Graves’ disease (GD) characterized by hyperactivity confined to one thyroid lobe. Although thyroid cancer is associated with GD, its coexistence with UGD is exceptionally rare. Case Report: A 35-year-old woman with GD, treated with methimazole, became pregnant and remained euthyroid during pregnancy after discontinuing methimazole. Four months after delivery, she was diagnosed with mild hyperthyroidism (TSH = 0.05 Thyroid scintigraphy showed increased radiotracer in the right lobe, while an ultrasound revealed a 13×10×8 mm nodule with a hypoechoic, taller-than-wide appearance. A fine-needle aspiration biopsy was suspicious for papillary thyroid carcinoma (PTC), which was confirmed after total thyroidectomy. Conclusion: unilateral Graves’ disease (UGD), similar to the typical form, can occur alongside thyroid cancer. A thorough evaluation of thyroid nodules in UGD—using imaging and cytology—is essential for accurate diagnosis and timely treatment.

A Hybrid Machine Learning-DFT Framework for High-Throughput Screening of Organic Corrosion Inhibitors: From Electronic Structure Prediction to Experimental Validation

Pages 174-185

https://doi.org/10.5281/zenodo.21196288

Frank Rebout

Abstract The discovery of effective and environmentally friendly organic corrosion inhibitors remains constrained by slow experimental screening and fragmented computational workflows . This study presents an integrated hybrid framework combining density functional theory (DFT), molecular dynamics (MD) simulations, and machine learning (ML) for high-throughput screening of organic corrosion inhibitors. DFT provides quantum-level insights into electronic structure and adsorption energetics through frontier molecular orbital analysis (EHOMO, ELUMO, energy gap ΔE), while MD captures time-dependent interfacial behavior and competitive ion interactions . A comprehensive dataset of 284 phenyl phthalimide derivatives was generated through DFT and MD simulations, with electronic properties correlated to experimental inhibition efficiency values . Among various ML models evaluated, Artificial Neural Networks demonstrated the highest prediction accuracy, achieving R² values of 93.18% for EHOMO and 91.12% for ELUMO . SHAP and PFI feature importance analyses revealed that descriptors B06[C-N] and qnmax are essential for inhibitor efficacy . The integrated framework addresses key limitations in current approaches including data scarcity, non-standardized descriptor selection, insufficient physical interpretability, and poor generalization across chemically diverse systems . Experimental validation through electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization confirmed the predictive capability of the ML models, with excellent agreement between predicted and measured inhibition efficiencies. This work establishes a unified, scalable, and physically informed computational framework for rational design and discovery of next-generation corrosion inhibitors.

Corrosion-Fatigue Interaction in Dissimilar Metal Welded Joints under Sour Service: A Multi-Physics Coupling Approach to Crack Initiation and Propagation

Pages 186-199

https://doi.org/10.5281/zenodo.21196377

Andi Johnson

Abstract Dissimilar metal welded joints (DMWJs) are essential components in offshore oil and gas infrastructure, yet they face critical degradation through corrosion-fatigue interaction under sour service conditions. This comprehensive review examines the multi-physics mechanisms governing crack initiation and propagation in DMWJs exposed to sour environments containing H₂S, where fatigue lives can be reduced by factors of 10× to 50× compared to air . The electrochemical and mechanical coupling arises from hydrogen embrittlement, where hydrogen generated at the crack tip diffuses into the fracture process zone (FPZ) and degrades material cohesion . Microstructural heterogeneity across the weld—including the heat-affected zone (HAZ), fusion boundary, and buttering layers—creates complex local stress-strain fields and galvanic corrosion cells that accelerate damage . Welding residual strain and ductility dip cracking have been identified as critical promoters of corrosion fatigue crack initiation in DMWJs, with cracks initiating preferentially at weld interfaces or regions of high residual strain . Advanced predictive models based on hydrogen transport kinetics to the FPZ have been developed to quantify corrosion fatigue crack growth (CFCG) rates over wide ranges of mechanical variables (ΔK, stress ratio, frequency) and environmental variables (H₂S partial pressure, pH, temperature) . The transition from short-crack to long-crack behavior in sour environments reveals that shallow flaws can grow up to an order of magnitude faster than deep flaws at equivalent ΔK, highlighting the non-conservatism of deep-crack data for shallow flaw assessment . This review concludes that effective life prediction requires integrated multi-physics frameworks coupling crack-tip electrochemistry, hydrogen diffusion, and fracture mechanics.

Coordination-Controlled Self-Healing Epoxy Nanocomposites: Synergistic Inhibition Mechanisms and Long-Term Impedance Behavior in Simulated Marine Environments

Pages 200-211

https://doi.org/10.5281/zenodo.21196441

Frank Rebout

Abstract The development of self-healing epoxy nanocomposites with long-term corrosion protection in marine environments represents a critical challenge in materials science, requiring sophisticated integration of passive barrier properties and active inhibition mechanisms . This comprehensive review systematically examines coordination-controlled self-healing epoxy nanocomposites, focusing on the synergistic inhibition mechanisms and long-term electrochemical impedance behavior in simulated marine environments. The coordination chemistry framework provides a unifying theoretical foundation: corrosion inhibitors function as multidentate ligands, nanocontainers serve as coordination carriers, and self-healing processes operate through in-situ coordination film formation . Advanced nanofiller systems incorporating pH-responsive nanocontainers—including metal-organic frameworks (MIL-100(Fe), ZIF-8), graphene oxide-based composites, and layered double hydroxides—have demonstrated exceptional performance, achieving low-frequency impedance modulus values of 5.03 × 10⁹ Ω·cm² after 50 days of immersion . The MIL-100@BTA system demonstrates alkaline-triggered release with up to 85% inhibitor release within 9 hours at pH 10, enabling targeted corrosion suppression at damaged sites . Tri-functional coating systems integrating passive barrier enhancement (109 Ω·cm² impedance after 120 days), active ion capture, and autonomous defect repair have been achieved through cascade synergistic mechanisms . This review concludes that coordination-controlled design principles offer transformative potential for durable, intelligent protective coatings with extended service life.

Dual-Function Nanostructured Anodes for Simultaneous Electrochemical Degradation of Organic Pollutants and In-Situ Corrosion Protection of Metallic Substrates

Pages 212-225

https://doi.org/10.5281/zenodo.21196492

Andi Johnson

Abstract Electrochemical advanced oxidation processes (EAOPs) have emerged as promising technologies for the degradation of persistent organic pollutants (POPs) through the in-situ generation of reactive oxygen species, particularly hydroxyl radicals (•OH) . However, the practical application of EAOPs faces two critical challenges: the competitive chloride oxidation reaction (COR) caused by chloride ions in real wastewater, which leads to low Faradaic efficiency and severe corrosion of anode active sites, and the limited service life of electrodes due to dissolution of catalytic layers under harsh operating conditions . This comprehensive review systematically examines nanostructured anodes designed for dual-function applications—simultaneously achieving efficient electrochemical degradation of organic pollutants while providing in-situ corrosion protection of metallic substrates. Nanostructuring approaches, including TiO₂ nanotube arrays and hydrophobic surface modification, have demonstrated remarkable performance enhancement: TiO₂-NTs/SnO₂-Sb-PTFE composite electrodes achieve high oxygen evolution potential (2.4 V vs Ag/AgCl), significantly enhanced TOC removal efficiency for phenolic pollutants, and substantial reduction in Sn ion leaching compared to conventional electrodes . Surface hydrophobicity promotes effective release of free hydroxyl radicals from the anode surface into solution, facilitating pollutant mineralization while the hydrophobic PTFE layer acts as a barrier inhibiting anodic dissolution . Anti-corrosion design principles for seawater electrolysis—including selective oxygen evolution reaction active sites, anion exclusion layers, and electronic structure redistribution—offer valuable strategies for enhancing anode stability in chloride-rich environments . Recent advances in iridium-coated titanium anodes demonstrate service lives of 2-5 years with iridium loss below 0.1 mg/cm²/year, while PANI-modified iron anodes achieve corrosion inhibition efficiency of approximately 35% after repeated electrocoagulation treatment cycles . This review concludes that dual-function anodes represent a transformative approach for sustainable wastewater treatment, combining catalytic activity with corrosion resistance.

Electrochemical Characterization of Corrosion Processes: Techniques, Data Interpretation, and Predictive Modeling

Pages 226-242

https://doi.org/10.5281/zenodo.21220328

Martin Zbuzant

Abstract Electrochemical characterization techniques have become indispensable for understanding corrosion phenomena, enabling both fundamental mechanistic insights and practical corrosion monitoring across diverse industrial applications. This comprehensive review systematically examines the principles, applications, and data interpretation strategies for key electrochemical methods used in corrosion research. Cyclic voltammetry (CV) has emerged as a powerful mechanistic probe, capturing real-time redox activity and surface transformations, though historically underutilized due to the irreversible nature of corrosion reactions . Electrochemical impedance spectroscopy (EIS) remains the most versatile technique, providing frequency-dependent information on charge transfer resistance, double-layer capacitance, and diffusion processes, with applications ranging from reinforced concrete diagnosis to nanostructured coating evaluation . Potentiodynamic polarization enables rapid determination of corrosion current density, Tafel slopes, and pitting potentials through the Stern–Geary relationship . Electrochemical noise analysis detects spontaneous current and potential fluctuations sensitive to localized corrosion events such as metastable pit growth . Recent advances in machine learning have revolutionized data interpretation, with hybrid models achieving R² > 0.99 prediction accuracy for corrosion rate forecasting through integration of swarm intelligence optimization with deep learning architectures . Four-dimensional impedance analysis has emerged for time-varying systems, enabling instantaneous impedance determination during non-stationary corrosion processes . This review concludes that effective corrosion characterization requires integrated approaches combining complementary techniques with advanced data analytics, bridging laboratory mechanistic understanding with field-applicable monitoring solutions.

Balancing Mechanical Properties and Bioactivity in 3D-Printed PEEK Composites: A Comparative Study on Fiber Types for Cartilage Repair

Pages 236-257

https://doi.org/10.5281/zenodo.21220393

Parnian Gholami Dastnaei

Abstract Cartilage repair remains a significant clinical challenge due to the tissue’s limited self-healing capacity, avascular structure, and complex mechanical requirements. Recent advances in additive manufacturing have enabled the fabrication of patient-specific scaffolds with controlled architecture and tunable mechanical properties. Among high-performance biomaterials, polyether ether ketone (PEEK) has emerged as a promising matrix material owing to its excellent chemical stability, thermal resistance, and mechanical strength. However, pristine PEEK is bioinert and hydrophobic, limiting its biological performance in cartilage regeneration. To address this limitation, fiber reinforcement and bioactive filler incorporation have been widely investigated to enhance both mechanical and biological functionality. This study provides a comparative analysis of different fiber types incorporated into 3D-printed PEEK composites for cartilage repair, considering fiber composition (carbon, glass, ceramic, natural, and polymeric), size (Nano to micro-scale), length (short, long, continuous, discontinuous), morphology, and volume fraction. The influence of fiber characteristics on mechanical performance—including tensile strength, compressive modulus, fatigue resistance, and interfacial bonding—as well as biological responses such as cell adhesion, proliferation, and extracellular matrix formation, is critically evaluated. Furthermore, the interaction between fiber selection and 3D printing parameters, including build orientation, infill density, layer thickness, and extrusion temperature, discussed. Comparative findings suggest that hybrid reinforcement systems, particularly short carbon fibers combined with bioactive Nano-fillers such as Nano-hydroxyapatite or graphene oxide, offer an optimal balance between mechanical integrity and bioactivity. Continuous carbon fibers provide superior strength but limited biological enhancement, whereas Nano-scale bioactive reinforcements improve cellular responses with moderate mechanical gains. Strategic optimization of fiber type, geometry, and processing conditions is essential to achieve mechanically robust and biologically functional 3D-printed PEEK scaffolds for cartilage regeneration.

Graphene Oxide-Based Multifunctional Coatings: The Role of Surface Functionalization and 2D Lamellar Architecture in Enhancing Barrier Properties and Active Corrosion Protection

Pages 258-272

https://doi.org/10.5281/zenodo.21220461

Martin Zbuzant

Abstract Graphene oxide (GO) has emerged as a transformative nanomaterial for advanced corrosion protection coatings, leveraging its unique two-dimensional lamellar architecture and abundant surface functional groups to provide both passive barrier properties and active inhibition capabilities. This comprehensive review systematically examines the multifaceted role of GO in multifunctional coatings, focusing on how surface functionalization and 2D lamellar structure synergistically enhance barrier properties and active corrosion protection. The physical barrier mechanism of GO arises from its high aspect ratio and impermeable nature, creating tortuous diffusion paths for corrosive species, with a 0.03 wt% addition to geopolymer coatings achieving high impedance modulus and ultra-low corrosion current density through a triple synergistic protection system integrating physical barrier, chemical adsorption, and structural reinforcement . Surface functionalization strategies—including carboxylation (-COOH), hydroxylation (-OH), amination (-NH₂), and dopamine/nano-TiO₂ co-modification—critically influence coating performance by improving dispersion, enhancing interfacial compatibility, and introducing active inhibition functionality . Dopamine and nano-TiO₂ co-modified GO demonstrates superior corrosion resistance through synergistic effects: polydopamine enhances dispersion while TiO₂ provides passivation film effects, covering CO groups on GO surface . Carboxylated GO (CGO) composites outperform hydroxylated and aminated counterparts, with CGO-15 coating achieving two orders of magnitude higher impedance modulus than pure resin and over 90% inhibition of sulfate-reducing bacteria through ROS-mediated oxidative stress . The interlayer entanglement toughening strategy improves GO paper delamination strength by 268%, approaching benchmark natural nacres . This review concludes that integrated design combining molecular functionalization, 2D architecture optimization, and multi-component hybridization offers transformative potential for durable, high-performance protective coatings.